USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 384 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 684 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 685 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.0091) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 180:sc= 0 USER MOD Single : A 698 ASN : amide:sc= -0.393 K(o=-0.39,f=-7.1!) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 79:sc= 0.551 USER MOD Single : A 719 THR OG1 : rot 180:sc=0.000468 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -106:sc= 0.296 (180deg=-0.422) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 64.239 15.789 -9.665 1.00 0.00 N ATOM 2 CA VAL A 683 62.805 15.529 -9.613 1.00 0.00 C ATOM 3 C VAL A 683 62.424 14.884 -8.281 1.00 0.00 C ATOM 4 O VAL A 683 63.215 14.144 -7.692 1.00 0.00 O ATOM 5 CB VAL A 683 62.397 14.615 -10.778 1.00 0.00 C ATOM 6 CG1 VAL A 683 63.319 13.390 -10.828 1.00 0.00 C ATOM 7 CG2 VAL A 683 60.945 14.158 -10.594 1.00 0.00 C ATOM 0 HA VAL A 683 62.275 16.478 -9.701 1.00 0.00 H new ATOM 0 HB VAL A 683 62.486 15.169 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 683 63.024 12.746 -11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 683 64.349 13.716 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 683 63.240 12.837 -9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 683 60.660 13.510 -11.423 1.00 0.00 H new ATOM 0 HG22 VAL A 683 60.852 13.610 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 683 60.290 15.029 -10.572 1.00 0.00 H new ATOM 16 N HIS A 684 61.260 15.263 -7.757 1.00 0.00 N ATOM 17 CA HIS A 684 60.773 14.695 -6.504 1.00 0.00 C ATOM 18 C HIS A 684 60.439 13.216 -6.680 1.00 0.00 C ATOM 19 O HIS A 684 59.719 12.842 -7.608 1.00 0.00 O ATOM 20 CB HIS A 684 59.526 15.452 -6.036 1.00 0.00 C ATOM 21 CG HIS A 684 59.917 16.475 -5.001 1.00 0.00 C ATOM 22 ND1 HIS A 684 60.267 16.118 -3.708 1.00 0.00 N ATOM 23 CD2 HIS A 684 60.109 17.832 -5.080 1.00 0.00 C ATOM 24 CE1 HIS A 684 60.621 17.242 -3.060 1.00 0.00 C ATOM 25 NE2 HIS A 684 60.535 18.317 -3.848 1.00 0.00 N ATOM 0 H HIS A 684 60.641 15.956 -8.178 1.00 0.00 H new ATOM 0 HA HIS A 684 61.558 14.791 -5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 684 59.046 15.942 -6.883 1.00 0.00 H new ATOM 0 HB3 HIS A 684 58.800 14.755 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 684 59.953 18.432 -5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 684 60.937 17.272 -2.028 1.00 0.00 H new ATOM 0 HE2 HIS A 684 60.738 19.285 -3.600 1.00 0.00 H new ATOM 33 N HIS A 685 61.128 12.374 -5.916 1.00 0.00 N ATOM 34 CA HIS A 685 60.941 10.930 -6.008 1.00 0.00 C ATOM 35 C HIS A 685 61.260 10.277 -4.666 1.00 0.00 C ATOM 36 O HIS A 685 60.609 9.311 -4.263 1.00 0.00 O ATOM 37 CB HIS A 685 61.851 10.357 -7.107 1.00 0.00 C ATOM 38 CG HIS A 685 62.181 8.918 -6.812 1.00 0.00 C ATOM 39 ND1 HIS A 685 61.261 7.900 -7.014 1.00 0.00 N ATOM 40 CD2 HIS A 685 63.217 8.346 -6.113 1.00 0.00 C ATOM 41 CE1 HIS A 685 61.817 6.759 -6.570 1.00 0.00 C ATOM 42 NE2 HIS A 685 62.958 6.993 -5.919 1.00 0.00 N ATOM 0 H HIS A 685 61.821 12.667 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 685 59.902 10.718 -6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 685 61.356 10.433 -8.075 1.00 0.00 H new ATOM 0 HB3 HIS A 685 62.768 10.942 -7.171 1.00 0.00 H new ATOM 0 HD2 HIS A 685 64.097 8.867 -5.767 1.00 0.00 H new ATOM 0 HE1 HIS A 685 61.393 5.777 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 685 63.520 6.324 -5.392 1.00 0.00 H new ATOM 50 N GLN A 686 62.313 10.767 -4.018 1.00 0.00 N ATOM 51 CA GLN A 686 62.730 10.232 -2.727 1.00 0.00 C ATOM 52 C GLN A 686 61.597 10.333 -1.708 1.00 0.00 C ATOM 53 O GLN A 686 61.555 9.575 -0.738 1.00 0.00 O ATOM 54 CB GLN A 686 63.950 11.006 -2.215 1.00 0.00 C ATOM 55 CG GLN A 686 64.789 10.105 -1.303 1.00 0.00 C ATOM 56 CD GLN A 686 65.607 10.958 -0.338 1.00 0.00 C ATOM 57 OE1 GLN A 686 66.533 11.654 -0.756 1.00 0.00 O ATOM 58 NE2 GLN A 686 65.315 10.953 0.933 1.00 0.00 N ATOM 0 H GLN A 686 62.892 11.532 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 686 62.990 9.181 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 686 64.553 11.351 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 686 63.627 11.892 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 686 64.139 9.432 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 686 65.452 9.482 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 686 64.548 10.376 1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 686 65.854 11.526 1.582 1.00 0.00 H new ATOM 67 N LYS A 687 60.658 11.244 -1.961 1.00 0.00 N ATOM 68 CA LYS A 687 59.480 11.377 -1.108 1.00 0.00 C ATOM 69 C LYS A 687 58.218 11.537 -1.953 1.00 0.00 C ATOM 70 O LYS A 687 58.219 11.212 -3.141 1.00 0.00 O ATOM 71 CB LYS A 687 59.641 12.590 -0.184 1.00 0.00 C ATOM 72 CG LYS A 687 59.424 12.156 1.269 1.00 0.00 C ATOM 73 CD LYS A 687 59.435 13.386 2.183 1.00 0.00 C ATOM 74 CE LYS A 687 59.171 12.950 3.626 1.00 0.00 C ATOM 75 NZ LYS A 687 58.804 14.138 4.448 1.00 0.00 N1+ ATOM 0 H LYS A 687 60.690 11.896 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 687 59.384 10.473 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 687 60.635 13.021 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 687 58.924 13.365 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 687 58.474 11.629 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 687 60.206 11.459 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 687 60.397 13.894 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 687 58.675 14.098 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 687 58.367 12.214 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 687 60.058 12.469 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 58.625 13.840 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 59.584 14.826 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 57.946 14.579 4.058 1.00 0.00 H new ATOM 89 N LEU A 688 57.106 11.840 -1.281 1.00 0.00 N ATOM 90 CA LEU A 688 55.818 12.021 -1.955 1.00 0.00 C ATOM 91 C LEU A 688 55.173 10.671 -2.258 1.00 0.00 C ATOM 92 O LEU A 688 53.980 10.478 -2.022 1.00 0.00 O ATOM 93 CB LEU A 688 55.999 12.810 -3.259 1.00 0.00 C ATOM 94 CG LEU A 688 54.819 13.772 -3.454 1.00 0.00 C ATOM 95 CD1 LEU A 688 55.037 14.594 -4.727 1.00 0.00 C ATOM 96 CD2 LEU A 688 53.514 12.977 -3.576 1.00 0.00 C ATOM 0 H LEU A 688 57.071 11.965 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 688 55.165 12.582 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 688 56.934 13.369 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 688 56.064 12.124 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 688 54.753 14.439 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 688 54.200 15.278 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 688 55.961 15.165 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 688 55.106 13.925 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 688 52.680 13.665 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 688 53.576 12.305 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 688 53.357 12.394 -2.668 1.00 0.00 H new ATOM 108 N VAL A 689 55.968 9.741 -2.779 1.00 0.00 N ATOM 109 CA VAL A 689 55.463 8.413 -3.115 1.00 0.00 C ATOM 110 C VAL A 689 54.848 7.744 -1.888 1.00 0.00 C ATOM 111 O VAL A 689 53.901 6.964 -2.006 1.00 0.00 O ATOM 112 CB VAL A 689 56.605 7.544 -3.655 1.00 0.00 C ATOM 113 CG1 VAL A 689 56.051 6.189 -4.108 1.00 0.00 C ATOM 114 CG2 VAL A 689 57.269 8.248 -4.844 1.00 0.00 C ATOM 0 H VAL A 689 56.959 9.881 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 689 54.692 8.520 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 689 57.342 7.389 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 689 56.864 5.573 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 689 55.583 5.686 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 689 55.311 6.343 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 689 58.080 7.629 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 689 56.532 8.407 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 689 57.668 9.210 -4.521 1.00 0.00 H new ATOM 124 N PHE A 690 55.301 8.163 -0.709 1.00 0.00 N ATOM 125 CA PHE A 690 54.689 7.723 0.541 1.00 0.00 C ATOM 126 C PHE A 690 53.321 8.376 0.725 1.00 0.00 C ATOM 127 O PHE A 690 52.367 7.728 1.158 1.00 0.00 O ATOM 128 CB PHE A 690 55.605 8.087 1.717 1.00 0.00 C ATOM 129 CG PHE A 690 54.868 7.891 3.025 1.00 0.00 C ATOM 130 CD1 PHE A 690 54.735 6.607 3.569 1.00 0.00 C ATOM 131 CD2 PHE A 690 54.410 9.003 3.742 1.00 0.00 C ATOM 132 CE1 PHE A 690 54.095 6.433 4.801 1.00 0.00 C ATOM 133 CE2 PHE A 690 53.683 8.819 4.923 1.00 0.00 C ATOM 134 CZ PHE A 690 53.559 7.538 5.474 1.00 0.00 C ATOM 0 H PHE A 690 56.086 8.804 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 690 54.554 6.642 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 690 56.500 7.466 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 690 55.933 9.122 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 690 55.126 5.752 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 690 54.618 10.001 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 690 54.014 5.446 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 690 53.218 9.664 5.409 1.00 0.00 H new ATOM 0 HZ PHE A 690 53.051 7.402 6.417 1.00 0.00 H new ATOM 144 N PHE A 691 53.252 9.678 0.457 1.00 0.00 N ATOM 145 CA PHE A 691 52.049 10.450 0.744 1.00 0.00 C ATOM 146 C PHE A 691 50.944 10.122 -0.258 1.00 0.00 C ATOM 147 O PHE A 691 49.795 9.892 0.125 1.00 0.00 O ATOM 148 CB PHE A 691 52.368 11.949 0.685 1.00 0.00 C ATOM 149 CG PHE A 691 51.571 12.678 1.743 1.00 0.00 C ATOM 150 CD1 PHE A 691 50.199 12.885 1.564 1.00 0.00 C ATOM 151 CD2 PHE A 691 52.189 13.077 2.935 1.00 0.00 C ATOM 152 CE1 PHE A 691 49.439 13.461 2.588 1.00 0.00 C ATOM 153 CE2 PHE A 691 51.434 13.679 3.948 1.00 0.00 C ATOM 154 CZ PHE A 691 50.058 13.872 3.774 1.00 0.00 C ATOM 0 H PHE A 691 54.012 10.217 0.043 1.00 0.00 H new ATOM 0 HA PHE A 691 51.702 10.189 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 691 53.434 12.111 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 691 52.128 12.344 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 691 49.726 12.600 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 691 53.249 12.920 3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 691 48.374 13.589 2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 691 51.912 13.995 4.863 1.00 0.00 H new ATOM 0 HZ PHE A 691 49.475 14.338 4.555 1.00 0.00 H new ATOM 164 N ALA A 692 51.291 10.160 -1.545 1.00 0.00 N ATOM 165 CA ALA A 692 50.325 9.870 -2.604 1.00 0.00 C ATOM 166 C ALA A 692 49.788 8.446 -2.481 1.00 0.00 C ATOM 167 O ALA A 692 48.854 8.067 -3.188 1.00 0.00 O ATOM 168 CB ALA A 692 50.986 10.042 -3.972 1.00 0.00 C ATOM 0 H ALA A 692 52.228 10.387 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 692 49.494 10.568 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 692 50.261 9.824 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 692 51.340 11.068 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 692 51.829 9.357 -4.057 1.00 0.00 H new ATOM 174 N GLU A 693 50.496 7.617 -1.716 1.00 0.00 N ATOM 175 CA GLU A 693 50.083 6.230 -1.521 1.00 0.00 C ATOM 176 C GLU A 693 48.645 6.159 -1.012 1.00 0.00 C ATOM 177 O GLU A 693 47.943 5.174 -1.250 1.00 0.00 O ATOM 178 CB GLU A 693 51.018 5.554 -0.514 1.00 0.00 C ATOM 179 CG GLU A 693 50.857 4.032 -0.595 1.00 0.00 C ATOM 180 CD GLU A 693 51.678 3.360 0.504 1.00 0.00 C ATOM 181 OE1 GLU A 693 51.379 3.590 1.666 1.00 0.00 O ATOM 182 OE2 GLU A 693 52.598 2.632 0.169 1.00 0.00 O1- ATOM 0 H GLU A 693 51.351 7.879 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 693 50.137 5.714 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 693 52.052 5.831 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 693 50.792 5.899 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 693 49.806 3.763 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 693 51.182 3.675 -1.572 1.00 0.00 H new ATOM 189 N ASP A 694 48.180 7.257 -0.418 1.00 0.00 N ATOM 190 CA ASP A 694 46.926 7.245 0.328 1.00 0.00 C ATOM 191 C ASP A 694 45.739 7.115 -0.620 1.00 0.00 C ATOM 192 O ASP A 694 44.629 6.788 -0.199 1.00 0.00 O ATOM 193 CB ASP A 694 46.791 8.536 1.141 1.00 0.00 C ATOM 194 CG ASP A 694 47.152 8.272 2.599 1.00 0.00 C ATOM 195 OD1 ASP A 694 48.325 8.349 2.921 1.00 0.00 O ATOM 196 OD2 ASP A 694 46.266 7.888 3.346 1.00 0.00 O1- ATOM 0 H ASP A 694 48.651 8.161 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 694 46.934 6.388 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 694 47.444 9.305 0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 694 45.771 8.914 1.073 1.00 0.00 H new ATOM 201 N VAL A 695 45.972 7.435 -1.889 1.00 0.00 N ATOM 202 CA VAL A 695 44.935 7.322 -2.910 1.00 0.00 C ATOM 203 C VAL A 695 44.476 5.873 -3.058 1.00 0.00 C ATOM 204 O VAL A 695 43.403 5.606 -3.602 1.00 0.00 O ATOM 205 CB VAL A 695 45.465 7.834 -4.256 1.00 0.00 C ATOM 206 CG1 VAL A 695 45.918 9.294 -4.112 1.00 0.00 C ATOM 207 CG2 VAL A 695 46.646 6.973 -4.722 1.00 0.00 C ATOM 0 H VAL A 695 46.869 7.775 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 695 44.084 7.928 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 695 44.667 7.772 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 695 46.294 9.654 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 695 45.073 9.908 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 695 46.709 9.358 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 695 47.013 7.346 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 695 47.445 7.021 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 695 46.320 5.939 -4.837 1.00 0.00 H new ATOM 217 N GLY A 696 45.355 4.940 -2.699 1.00 0.00 N ATOM 218 CA GLY A 696 45.021 3.521 -2.746 1.00 0.00 C ATOM 219 C GLY A 696 44.940 3.029 -4.184 1.00 0.00 C ATOM 220 O GLY A 696 45.675 3.501 -5.055 1.00 0.00 O ATOM 0 H GLY A 696 46.300 5.141 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 696 45.773 2.948 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 696 44.068 3.351 -2.245 1.00 0.00 H new ATOM 224 N SER A 697 44.006 2.117 -4.434 1.00 0.00 N ATOM 225 CA SER A 697 43.670 1.729 -5.799 1.00 0.00 C ATOM 226 C SER A 697 42.402 0.878 -5.813 1.00 0.00 C ATOM 227 O SER A 697 41.291 1.408 -5.887 1.00 0.00 O ATOM 228 CB SER A 697 44.829 0.939 -6.412 1.00 0.00 C ATOM 229 OG SER A 697 44.429 0.392 -7.659 1.00 0.00 O ATOM 0 H SER A 697 43.470 1.635 -3.712 1.00 0.00 H new ATOM 0 HA SER A 697 43.494 2.630 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 697 45.693 1.590 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 697 45.136 0.141 -5.736 1.00 0.00 H new ATOM 0 HG SER A 697 45.174 -0.111 -8.049 1.00 0.00 H new ATOM 235 N ASN A 698 42.569 -0.418 -5.556 1.00 0.00 N ATOM 236 CA ASN A 698 41.449 -1.352 -5.582 1.00 0.00 C ATOM 237 C ASN A 698 41.813 -2.629 -4.831 1.00 0.00 C ATOM 238 O ASN A 698 42.965 -3.061 -4.852 1.00 0.00 O ATOM 239 CB ASN A 698 41.084 -1.697 -7.032 1.00 0.00 C ATOM 240 CG ASN A 698 39.607 -2.072 -7.129 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.098 -2.818 -6.293 1.00 0.00 O ATOM 242 ND2 ASN A 698 38.906 -1.666 -8.153 1.00 0.00 N ATOM 0 H ASN A 698 43.468 -0.843 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 698 40.593 -0.882 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.294 -0.846 -7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.701 -2.524 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.937 -1.967 -8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 698 39.327 -1.048 -8.846 1.00 0.00 H new ATOM 249 N LYS A 699 40.810 -3.266 -4.230 1.00 0.00 N ATOM 250 CA LYS A 699 41.031 -4.502 -3.483 1.00 0.00 C ATOM 251 C LYS A 699 41.732 -5.545 -4.351 1.00 0.00 C ATOM 252 O LYS A 699 42.690 -6.184 -3.912 1.00 0.00 O ATOM 253 CB LYS A 699 39.692 -5.060 -2.998 1.00 0.00 C ATOM 254 CG LYS A 699 39.279 -4.347 -1.707 1.00 0.00 C ATOM 255 CD LYS A 699 37.805 -4.638 -1.411 1.00 0.00 C ATOM 256 CE LYS A 699 37.537 -4.458 0.085 1.00 0.00 C ATOM 257 NZ LYS A 699 36.094 -4.704 0.363 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.841 -2.948 -4.245 1.00 0.00 H new ATOM 0 HA LYS A 699 41.668 -4.276 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.929 -4.920 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.775 -6.133 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.901 -4.685 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 699 39.436 -3.273 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 699 37.168 -3.967 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 699 37.556 -5.655 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 699 38.153 -5.149 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 699 37.812 -3.450 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 35.911 -4.582 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 35.516 -4.028 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 35.846 -5.674 0.081 1.00 0.00 H new ATOM 271 N GLY A 700 41.329 -5.618 -5.616 1.00 0.00 N ATOM 272 CA GLY A 700 41.923 -6.576 -6.545 1.00 0.00 C ATOM 273 C GLY A 700 43.385 -6.235 -6.816 1.00 0.00 C ATOM 274 O GLY A 700 44.261 -7.090 -6.688 1.00 0.00 O ATOM 0 H GLY A 700 40.599 -5.031 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.850 -7.582 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.365 -6.575 -7.481 1.00 0.00 H new ATOM 278 N ALA A 701 43.655 -4.944 -7.001 1.00 0.00 N ATOM 279 CA ALA A 701 45.025 -4.477 -7.183 1.00 0.00 C ATOM 280 C ALA A 701 45.839 -4.681 -5.908 1.00 0.00 C ATOM 281 O ALA A 701 46.935 -5.237 -5.953 1.00 0.00 O ATOM 282 CB ALA A 701 45.023 -2.993 -7.559 1.00 0.00 C ATOM 0 H ALA A 701 42.948 -4.209 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 701 45.482 -5.056 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.049 -2.650 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.469 -2.854 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.549 -2.417 -6.764 1.00 0.00 H new ATOM 288 N ILE A 702 45.222 -4.390 -4.764 1.00 0.00 N ATOM 289 CA ILE A 702 45.932 -4.413 -3.487 1.00 0.00 C ATOM 290 C ILE A 702 46.561 -5.786 -3.244 1.00 0.00 C ATOM 291 O ILE A 702 47.695 -5.879 -2.774 1.00 0.00 O ATOM 292 CB ILE A 702 44.959 -4.071 -2.348 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.740 -2.554 -2.302 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.536 -4.541 -1.006 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.464 -2.239 -1.514 1.00 0.00 C ATOM 0 H ILE A 702 44.236 -4.137 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 702 46.729 -3.670 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 702 44.010 -4.576 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.596 -2.067 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.661 -2.158 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.840 -4.295 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.690 -5.620 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.489 -4.043 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.312 -1.160 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.610 -2.712 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.561 -2.620 -0.498 1.00 0.00 H new ATOM 307 N ILE A 703 45.896 -6.826 -3.739 1.00 0.00 N ATOM 308 CA ILE A 703 46.440 -8.179 -3.668 1.00 0.00 C ATOM 309 C ILE A 703 47.678 -8.309 -4.556 1.00 0.00 C ATOM 310 O ILE A 703 48.756 -8.666 -4.078 1.00 0.00 O ATOM 311 CB ILE A 703 45.373 -9.190 -4.108 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.284 -9.282 -3.032 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.014 -10.569 -4.307 1.00 0.00 C ATOM 314 CD1 ILE A 703 42.982 -9.793 -3.656 1.00 0.00 C ATOM 0 H ILE A 703 44.984 -6.759 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 703 46.731 -8.385 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 703 44.931 -8.861 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.604 -9.952 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.122 -8.303 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.252 -11.283 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.786 -10.504 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.460 -10.902 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.211 -9.857 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.659 -9.106 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.148 -10.781 -4.087 1.00 0.00 H new ATOM 326 N GLY A 704 47.560 -7.835 -5.794 1.00 0.00 N ATOM 327 CA GLY A 704 48.648 -7.959 -6.762 1.00 0.00 C ATOM 328 C GLY A 704 49.803 -7.018 -6.417 1.00 0.00 C ATOM 329 O GLY A 704 50.969 -7.364 -6.605 1.00 0.00 O ATOM 0 H GLY A 704 46.728 -7.364 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.007 -8.988 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.277 -7.733 -7.762 1.00 0.00 H new ATOM 333 N LEU A 705 49.474 -5.894 -5.780 1.00 0.00 N ATOM 334 CA LEU A 705 50.488 -4.921 -5.382 1.00 0.00 C ATOM 335 C LEU A 705 51.390 -5.494 -4.292 1.00 0.00 C ATOM 336 O LEU A 705 52.579 -5.182 -4.240 1.00 0.00 O ATOM 337 CB LEU A 705 49.814 -3.641 -4.868 1.00 0.00 C ATOM 338 CG LEU A 705 49.126 -2.914 -6.030 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.219 -1.807 -5.477 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.182 -2.300 -6.957 1.00 0.00 C ATOM 0 H LEU A 705 48.519 -5.637 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 705 51.098 -4.687 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.083 -3.888 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.555 -2.989 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 705 48.525 -3.627 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.730 -1.291 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.463 -2.247 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.818 -1.096 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.688 -1.785 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.789 -1.589 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.821 -3.089 -7.354 1.00 0.00 H new ATOM 352 N MET A 706 50.868 -6.471 -3.554 1.00 0.00 N ATOM 353 CA MET A 706 51.632 -7.096 -2.479 1.00 0.00 C ATOM 354 C MET A 706 52.832 -7.853 -3.040 1.00 0.00 C ATOM 355 O MET A 706 53.893 -7.898 -2.416 1.00 0.00 O ATOM 356 CB MET A 706 50.742 -8.061 -1.694 1.00 0.00 C ATOM 357 CG MET A 706 51.515 -8.588 -0.483 1.00 0.00 C ATOM 358 SD MET A 706 50.363 -9.341 0.690 1.00 0.00 S ATOM 359 CE MET A 706 50.154 -7.901 1.766 1.00 0.00 C ATOM 0 H MET A 706 49.927 -6.844 -3.679 1.00 0.00 H new ATOM 0 HA MET A 706 51.991 -6.310 -1.814 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.834 -7.553 -1.368 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.433 -8.889 -2.331 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.256 -9.321 -0.802 1.00 0.00 H new ATOM 0 HG3 MET A 706 52.058 -7.774 -0.003 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.467 -8.148 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.120 -7.616 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.749 -7.070 1.188 1.00 0.00 H new ATOM 369 N VAL A 707 52.685 -8.366 -4.257 1.00 0.00 N ATOM 370 CA VAL A 707 53.760 -9.112 -4.901 1.00 0.00 C ATOM 371 C VAL A 707 54.992 -8.228 -5.083 1.00 0.00 C ATOM 372 O VAL A 707 56.102 -8.626 -4.729 1.00 0.00 O ATOM 373 CB VAL A 707 53.293 -9.632 -6.265 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.427 -10.418 -6.931 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.081 -10.549 -6.075 1.00 0.00 C ATOM 0 H VAL A 707 51.836 -8.279 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 707 54.024 -9.956 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 707 53.016 -8.789 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.093 -10.787 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.290 -9.766 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.706 -11.261 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.749 -10.919 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.358 -11.391 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.272 -9.990 -5.603 1.00 0.00 H new ATOM 385 N GLY A 708 54.759 -6.973 -5.455 1.00 0.00 N ATOM 386 CA GLY A 708 55.848 -6.015 -5.620 1.00 0.00 C ATOM 387 C GLY A 708 56.110 -5.254 -4.323 1.00 0.00 C ATOM 388 O GLY A 708 57.055 -4.468 -4.238 1.00 0.00 O ATOM 0 H GLY A 708 53.831 -6.597 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.753 -6.538 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.600 -5.311 -6.415 1.00 0.00 H new ATOM 392 N GLY A 709 55.342 -5.578 -3.285 1.00 0.00 N ATOM 393 CA GLY A 709 55.444 -4.869 -2.013 1.00 0.00 C ATOM 394 C GLY A 709 56.598 -5.413 -1.173 1.00 0.00 C ATOM 395 O GLY A 709 56.756 -5.040 -0.011 1.00 0.00 O ATOM 0 H GLY A 709 54.646 -6.323 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.594 -3.805 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.509 -4.969 -1.461 1.00 0.00 H new ATOM 399 N VAL A 710 57.452 -6.220 -1.799 1.00 0.00 N ATOM 400 CA VAL A 710 58.588 -6.816 -1.100 1.00 0.00 C ATOM 401 C VAL A 710 59.600 -5.744 -0.705 1.00 0.00 C ATOM 402 O VAL A 710 60.035 -5.682 0.446 1.00 0.00 O ATOM 403 CB VAL A 710 59.272 -7.861 -1.992 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.606 -9.225 -1.788 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.153 -7.451 -3.465 1.00 0.00 C ATOM 0 H VAL A 710 57.380 -6.475 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 710 58.215 -7.300 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 710 60.326 -7.924 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.093 -9.966 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.700 -9.523 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.551 -9.158 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.641 -8.198 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.100 -7.380 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.633 -6.484 -3.613 1.00 0.00 H new ATOM 415 N VAL A 711 59.959 -4.895 -1.664 1.00 0.00 N ATOM 416 CA VAL A 711 60.949 -3.852 -1.420 1.00 0.00 C ATOM 417 C VAL A 711 60.422 -2.852 -0.396 1.00 0.00 C ATOM 418 O VAL A 711 61.049 -2.630 0.640 1.00 0.00 O ATOM 419 CB VAL A 711 61.273 -3.122 -2.729 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.278 -1.997 -2.458 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.874 -4.112 -3.733 1.00 0.00 C ATOM 0 H VAL A 711 59.582 -4.909 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 711 61.855 -4.316 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 711 60.357 -2.697 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.506 -1.480 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.850 -1.290 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.194 -2.419 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.104 -3.592 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.788 -4.539 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.158 -4.910 -3.931 1.00 0.00 H new ATOM 431 N ILE A 712 59.178 -2.428 -0.594 1.00 0.00 N ATOM 432 CA ILE A 712 58.560 -1.445 0.289 1.00 0.00 C ATOM 433 C ILE A 712 58.385 -2.019 1.692 1.00 0.00 C ATOM 434 O ILE A 712 58.638 -1.336 2.686 1.00 0.00 O ATOM 435 CB ILE A 712 57.196 -1.030 -0.276 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.397 -0.249 -1.580 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.462 -0.149 0.741 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.212 -0.497 -2.518 1.00 0.00 C ATOM 0 H ILE A 712 58.580 -2.748 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 712 59.210 -0.572 0.350 1.00 0.00 H new ATOM 0 HB ILE A 712 56.602 -1.922 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.488 0.816 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.325 -0.558 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.493 0.144 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.315 -0.706 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.055 0.743 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.358 0.060 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.142 -1.561 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.292 -0.166 -2.037 1.00 0.00 H new ATOM 450 N ALA A 713 58.078 -3.312 1.761 1.00 0.00 N ATOM 451 CA ALA A 713 57.928 -3.989 3.047 1.00 0.00 C ATOM 452 C ALA A 713 59.222 -3.903 3.850 1.00 0.00 C ATOM 453 O ALA A 713 59.233 -3.361 4.956 1.00 0.00 O ATOM 454 CB ALA A 713 57.561 -5.458 2.826 1.00 0.00 C ATOM 0 H ALA A 713 57.929 -3.909 0.947 1.00 0.00 H new ATOM 0 HA ALA A 713 57.132 -3.496 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.451 -5.955 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.621 -5.520 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.349 -5.948 2.253 1.00 0.00 H new ATOM 460 N THR A 714 60.333 -4.216 3.189 1.00 0.00 N ATOM 461 CA THR A 714 61.636 -4.195 3.846 1.00 0.00 C ATOM 462 C THR A 714 61.994 -2.779 4.282 1.00 0.00 C ATOM 463 O THR A 714 62.436 -2.565 5.409 1.00 0.00 O ATOM 464 CB THR A 714 62.708 -4.723 2.886 1.00 0.00 C ATOM 465 OG1 THR A 714 62.268 -5.947 2.316 1.00 0.00 O ATOM 466 CG2 THR A 714 64.017 -4.955 3.650 1.00 0.00 C ATOM 0 H THR A 714 60.358 -4.485 2.206 1.00 0.00 H new ATOM 0 HA THR A 714 61.590 -4.832 4.729 1.00 0.00 H new ATOM 0 HB THR A 714 62.878 -3.992 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.634 -5.762 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.777 -5.330 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.355 -4.015 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.851 -5.685 4.443 1.00 0.00 H new ATOM 474 N VAL A 715 61.617 -1.805 3.457 1.00 0.00 N ATOM 475 CA VAL A 715 61.914 -0.406 3.749 1.00 0.00 C ATOM 476 C VAL A 715 61.209 0.035 5.030 1.00 0.00 C ATOM 477 O VAL A 715 61.737 0.846 5.790 1.00 0.00 O ATOM 478 CB VAL A 715 61.460 0.476 2.579 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.713 1.950 2.916 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.244 0.098 1.318 1.00 0.00 C ATOM 0 H VAL A 715 61.108 -1.958 2.586 1.00 0.00 H new ATOM 0 HA VAL A 715 62.990 -0.300 3.888 1.00 0.00 H new ATOM 0 HB VAL A 715 60.395 0.323 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.390 2.574 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.152 2.220 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.777 2.105 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.921 0.725 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.309 0.248 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.060 -0.949 1.075 1.00 0.00 H new ATOM 490 N ILE A 716 60.042 -0.549 5.289 1.00 0.00 N ATOM 491 CA ILE A 716 59.294 -0.243 6.505 1.00 0.00 C ATOM 492 C ILE A 716 59.865 -1.015 7.694 1.00 0.00 C ATOM 493 O ILE A 716 59.909 -0.499 8.811 1.00 0.00 O ATOM 494 CB ILE A 716 57.815 -0.601 6.314 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.214 0.282 5.215 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.056 -0.371 7.627 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.901 -0.332 4.721 1.00 0.00 C ATOM 0 H ILE A 716 59.596 -1.233 4.677 1.00 0.00 H new ATOM 0 HA ILE A 716 59.382 0.824 6.707 1.00 0.00 H new ATOM 0 HB ILE A 716 57.730 -1.649 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.035 1.286 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.916 0.378 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.005 -0.626 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.482 -1.000 8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 716 57.140 0.676 7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.476 0.298 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.093 -1.327 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.198 -0.404 5.551 1.00 0.00 H new ATOM 509 N VAL A 717 60.423 -2.192 7.418 1.00 0.00 N ATOM 510 CA VAL A 717 60.926 -3.059 8.481 1.00 0.00 C ATOM 511 C VAL A 717 62.096 -2.397 9.205 1.00 0.00 C ATOM 512 O VAL A 717 62.144 -2.386 10.435 1.00 0.00 O ATOM 513 CB VAL A 717 61.375 -4.406 7.895 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.100 -5.223 8.970 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.150 -5.185 7.405 1.00 0.00 C ATOM 0 H VAL A 717 60.538 -2.565 6.476 1.00 0.00 H new ATOM 0 HA VAL A 717 60.121 -3.228 9.196 1.00 0.00 H new ATOM 0 HB VAL A 717 62.052 -4.226 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.417 -6.178 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.974 -4.672 9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.426 -5.401 9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.469 -6.141 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.472 -5.361 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.636 -4.608 6.636 1.00 0.00 H new ATOM 525 N ILE A 718 62.956 -1.723 8.443 1.00 0.00 N ATOM 526 CA ILE A 718 64.110 -1.044 9.029 1.00 0.00 C ATOM 527 C ILE A 718 63.651 0.094 9.938 1.00 0.00 C ATOM 528 O ILE A 718 64.262 0.352 10.976 1.00 0.00 O ATOM 529 CB ILE A 718 65.031 -0.499 7.923 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.558 0.895 7.482 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.013 -1.451 6.720 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.310 1.324 6.219 1.00 0.00 C ATOM 0 H ILE A 718 62.877 -1.633 7.430 1.00 0.00 H new ATOM 0 HA ILE A 718 64.669 -1.765 9.625 1.00 0.00 H new ATOM 0 HB ILE A 718 66.046 -0.424 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 718 63.485 0.881 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.729 1.617 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 718 65.666 -1.062 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.364 -2.435 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 718 63.996 -1.533 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 718 64.970 2.313 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.380 1.356 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.116 0.609 5.420 1.00 0.00 H new ATOM 544 N THR A 719 62.462 0.620 9.649 1.00 0.00 N ATOM 545 CA THR A 719 61.894 1.704 10.446 1.00 0.00 C ATOM 546 C THR A 719 61.267 1.155 11.725 1.00 0.00 C ATOM 547 O THR A 719 61.152 1.867 12.724 1.00 0.00 O ATOM 548 CB THR A 719 60.829 2.445 9.631 1.00 0.00 C ATOM 549 OG1 THR A 719 61.190 2.437 8.257 1.00 0.00 O ATOM 550 CG2 THR A 719 60.722 3.893 10.120 1.00 0.00 C ATOM 0 H THR A 719 61.876 0.314 8.872 1.00 0.00 H new ATOM 0 HA THR A 719 62.694 2.394 10.714 1.00 0.00 H new ATOM 0 HB THR A 719 59.868 1.947 9.758 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.507 2.910 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.964 4.418 9.539 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.442 3.902 11.173 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.684 4.391 9.996 1.00 0.00 H new ATOM 558 N LEU A 720 60.767 -0.076 11.649 1.00 0.00 N ATOM 559 CA LEU A 720 60.138 -0.710 12.803 1.00 0.00 C ATOM 560 C LEU A 720 61.154 -0.923 13.923 1.00 0.00 C ATOM 561 O LEU A 720 60.799 -0.928 15.102 1.00 0.00 O ATOM 562 CB LEU A 720 59.539 -2.060 12.393 1.00 0.00 C ATOM 563 CG LEU A 720 58.557 -2.538 13.472 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.120 -2.294 13.003 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.764 -4.034 13.727 1.00 0.00 C ATOM 0 H LEU A 720 60.785 -0.650 10.806 1.00 0.00 H new ATOM 0 HA LEU A 720 59.347 -0.054 13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.026 -1.966 11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.332 -2.795 12.258 1.00 0.00 H new ATOM 0 HG LEU A 720 58.736 -1.984 14.394 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.424 -2.634 13.770 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.971 -1.229 12.824 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.940 -2.845 12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 720 58.066 -4.372 14.493 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.587 -4.588 12.805 1.00 0.00 H new ATOM 0 HD23 LEU A 720 59.786 -4.208 14.064 1.00 0.00 H new ATOM 577 N VAL A 721 62.418 -1.101 13.543 1.00 0.00 N ATOM 578 CA VAL A 721 63.490 -1.240 14.523 1.00 0.00 C ATOM 579 C VAL A 721 63.566 -0.003 15.417 1.00 0.00 C ATOM 580 O VAL A 721 63.785 -0.117 16.624 1.00 0.00 O ATOM 581 CB VAL A 721 64.832 -1.442 13.805 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.967 -1.467 14.833 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.811 -2.769 13.038 1.00 0.00 C ATOM 0 H VAL A 721 62.722 -1.152 12.571 1.00 0.00 H new ATOM 0 HA VAL A 721 63.278 -2.109 15.146 1.00 0.00 H new ATOM 0 HB VAL A 721 64.993 -0.621 13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.919 -1.611 14.321 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.986 -0.522 15.377 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.805 -2.286 15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.765 -2.910 12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.647 -3.590 13.736 1.00 0.00 H new ATOM 0 HG23 VAL A 721 64.006 -2.752 12.303 1.00 0.00 H new ATOM 593 N MET A 722 63.206 1.149 14.854 1.00 0.00 N ATOM 594 CA MET A 722 63.287 2.411 15.588 1.00 0.00 C ATOM 595 C MET A 722 62.173 2.499 16.628 1.00 0.00 C ATOM 596 O MET A 722 62.349 3.103 17.688 1.00 0.00 O ATOM 597 CB MET A 722 63.175 3.591 14.614 1.00 0.00 C ATOM 598 CG MET A 722 64.449 4.440 14.684 1.00 0.00 C ATOM 599 SD MET A 722 64.607 5.161 16.337 1.00 0.00 S ATOM 600 CE MET A 722 65.399 6.713 15.841 1.00 0.00 C ATOM 0 H MET A 722 62.858 1.235 13.899 1.00 0.00 H new ATOM 0 HA MET A 722 64.249 2.452 16.099 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.026 3.224 13.598 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.306 4.200 14.864 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.321 3.825 14.459 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.414 5.230 13.933 1.00 0.00 H new ATOM 0 HE1 MET A 722 65.590 7.323 16.724 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.342 6.496 15.339 1.00 0.00 H new ATOM 0 HE3 MET A 722 64.742 7.255 15.161 1.00 0.00 H new ATOM 610 N LEU A 723 61.074 1.793 16.368 1.00 0.00 N ATOM 611 CA LEU A 723 59.972 1.720 17.323 1.00 0.00 C ATOM 612 C LEU A 723 60.362 0.876 18.534 1.00 0.00 C ATOM 613 O LEU A 723 59.615 0.801 19.510 1.00 0.00 O ATOM 614 CB LEU A 723 58.736 1.105 16.651 1.00 0.00 C ATOM 615 CG LEU A 723 58.289 1.978 15.468 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.179 1.257 14.694 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.766 3.325 15.982 1.00 0.00 C ATOM 0 H LEU A 723 60.924 1.266 15.508 1.00 0.00 H new ATOM 0 HA LEU A 723 59.742 2.732 17.657 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.965 0.098 16.304 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.925 1.016 17.374 1.00 0.00 H new ATOM 0 HG LEU A 723 59.139 2.154 14.809 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.861 1.875 13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.555 0.304 14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.331 1.079 15.355 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.451 3.939 15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.918 3.157 16.645 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.557 3.838 16.528 1.00 0.00 H new ATOM 629 N LYS A 724 61.498 0.182 18.429 1.00 0.00 N ATOM 630 CA LYS A 724 61.983 -0.671 19.514 1.00 0.00 C ATOM 631 C LYS A 724 61.123 -1.927 19.642 1.00 0.00 C ATOM 632 O LYS A 724 59.893 -1.852 19.640 1.00 0.00 O ATOM 633 CB LYS A 724 61.976 0.098 20.843 1.00 0.00 C ATOM 634 CG LYS A 724 63.059 -0.463 21.772 1.00 0.00 C ATOM 635 CD LYS A 724 62.972 0.234 23.135 1.00 0.00 C ATOM 636 CE LYS A 724 63.950 -0.419 24.117 1.00 0.00 C ATOM 637 NZ LYS A 724 65.339 -0.313 23.588 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.098 0.195 17.604 1.00 0.00 H new ATOM 0 HA LYS A 724 63.005 -0.968 19.278 1.00 0.00 H new ATOM 0 HB2 LYS A 724 62.153 1.158 20.661 1.00 0.00 H new ATOM 0 HB3 LYS A 724 60.998 0.015 21.317 1.00 0.00 H new ATOM 0 HG2 LYS A 724 62.929 -1.539 21.892 1.00 0.00 H new ATOM 0 HG3 LYS A 724 64.045 -0.308 21.334 1.00 0.00 H new ATOM 0 HD2 LYS A 724 63.204 1.293 23.027 1.00 0.00 H new ATOM 0 HD3 LYS A 724 61.955 0.168 23.523 1.00 0.00 H new ATOM 0 HE2 LYS A 724 63.883 0.068 25.090 1.00 0.00 H new ATOM 0 HE3 LYS A 724 63.686 -1.466 24.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 65.650 -1.242 23.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 65.362 0.374 22.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 65.976 0.003 24.347 1.00 0.00 H new ATOM 651 N LYS A 725 61.779 -3.086 19.669 1.00 0.00 N ATOM 652 CA LYS A 725 61.073 -4.360 19.772 1.00 0.00 C ATOM 653 C LYS A 725 62.028 -5.461 20.225 1.00 0.00 C ATOM 654 O LYS A 725 63.002 -5.762 19.535 1.00 0.00 O ATOM 655 CB LYS A 725 60.467 -4.735 18.415 1.00 0.00 C ATOM 656 CG LYS A 725 59.246 -5.636 18.622 1.00 0.00 C ATOM 657 CD LYS A 725 58.733 -6.118 17.261 1.00 0.00 C ATOM 658 CE LYS A 725 57.287 -6.601 17.397 1.00 0.00 C ATOM 659 NZ LYS A 725 56.361 -5.452 17.194 1.00 0.00 N1+ ATOM 0 H LYS A 725 62.795 -3.168 19.621 1.00 0.00 H new ATOM 0 HA LYS A 725 60.276 -4.256 20.508 1.00 0.00 H new ATOM 0 HB2 LYS A 725 60.178 -3.834 17.874 1.00 0.00 H new ATOM 0 HB3 LYS A 725 61.210 -5.248 17.804 1.00 0.00 H new ATOM 0 HG2 LYS A 725 59.512 -6.489 19.246 1.00 0.00 H new ATOM 0 HG3 LYS A 725 58.462 -5.090 19.146 1.00 0.00 H new ATOM 0 HD2 LYS A 725 58.789 -5.309 16.533 1.00 0.00 H new ATOM 0 HD3 LYS A 725 59.363 -6.926 16.889 1.00 0.00 H new ATOM 0 HE2 LYS A 725 57.082 -7.381 16.664 1.00 0.00 H new ATOM 0 HE3 LYS A 725 57.130 -7.040 18.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 55.378 -5.778 17.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 56.552 -4.722 17.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 56.506 -5.053 16.245 1.00 0.00 H new ATOM 673 N LYS A 726 61.849 -5.915 21.465 1.00 0.00 N ATOM 674 CA LYS A 726 62.667 -7.000 22.006 1.00 0.00 C ATOM 675 C LYS A 726 64.154 -6.674 21.872 1.00 0.00 C ATOM 676 O LYS A 726 64.859 -7.269 21.054 1.00 0.00 O ATOM 677 CB LYS A 726 62.351 -8.313 21.278 1.00 0.00 C ATOM 678 CG LYS A 726 61.089 -8.941 21.880 1.00 0.00 C ATOM 679 CD LYS A 726 60.398 -9.823 20.835 1.00 0.00 C ATOM 680 CE LYS A 726 61.354 -10.927 20.369 1.00 0.00 C ATOM 681 NZ LYS A 726 60.573 -12.154 20.046 1.00 0.00 N1+ ATOM 0 H LYS A 726 61.149 -5.551 22.111 1.00 0.00 H new ATOM 0 HA LYS A 726 62.431 -7.113 23.064 1.00 0.00 H new ATOM 0 HB2 LYS A 726 62.205 -8.125 20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 726 63.191 -9.002 21.367 1.00 0.00 H new ATOM 0 HG2 LYS A 726 61.350 -9.536 22.756 1.00 0.00 H new ATOM 0 HG3 LYS A 726 60.408 -8.159 22.217 1.00 0.00 H new ATOM 0 HD2 LYS A 726 59.497 -10.266 21.259 1.00 0.00 H new ATOM 0 HD3 LYS A 726 60.086 -9.217 19.984 1.00 0.00 H new ATOM 0 HE2 LYS A 726 61.910 -10.595 19.492 1.00 0.00 H new ATOM 0 HE3 LYS A 726 62.085 -11.143 21.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 61.220 -12.904 19.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 60.061 -12.473 20.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 59.892 -11.943 19.289 1.00 0.00 H new ATOM 695 N GLN A 727 64.569 -5.593 22.529 1.00 0.00 N ATOM 696 CA GLN A 727 65.962 -5.164 22.485 1.00 0.00 C ATOM 697 C GLN A 727 66.276 -4.260 23.672 1.00 0.00 C ATOM 698 O GLN A 727 65.631 -3.228 23.857 1.00 0.00 O ATOM 699 CB GLN A 727 66.236 -4.412 21.177 1.00 0.00 C ATOM 700 CG GLN A 727 67.687 -4.645 20.743 1.00 0.00 C ATOM 701 CD GLN A 727 68.135 -3.533 19.798 1.00 0.00 C ATOM 702 OE1 GLN A 727 67.492 -3.288 18.777 1.00 0.00 O ATOM 703 NE2 GLN A 727 69.223 -2.863 20.062 1.00 0.00 N ATOM 0 H GLN A 727 63.962 -5.001 23.096 1.00 0.00 H new ATOM 0 HA GLN A 727 66.600 -6.046 22.535 1.00 0.00 H new ATOM 0 HB2 GLN A 727 65.554 -4.755 20.399 1.00 0.00 H new ATOM 0 HB3 GLN A 727 66.054 -3.346 21.314 1.00 0.00 H new ATOM 0 HG2 GLN A 727 68.337 -4.674 21.618 1.00 0.00 H new ATOM 0 HG3 GLN A 727 67.776 -5.612 20.248 1.00 0.00 H new ATOM 0 HE21 GLN A 727 69.755 -3.067 20.908 1.00 0.00 H new ATOM 0 HE22 GLN A 727 69.542 -2.135 19.422 1.00 0.00 H new ATOM 712 N TYR A 728 67.096 -4.769 24.590 1.00 0.00 N ATOM 713 CA TYR A 728 67.487 -3.999 25.767 1.00 0.00 C ATOM 714 C TYR A 728 68.918 -4.337 26.177 1.00 0.00 C ATOM 715 O TYR A 728 69.232 -5.489 26.474 1.00 0.00 O ATOM 716 CB TYR A 728 66.533 -4.303 26.928 1.00 0.00 C ATOM 717 CG TYR A 728 66.603 -3.188 27.948 1.00 0.00 C ATOM 718 CD1 TYR A 728 67.615 -3.187 28.918 1.00 0.00 C ATOM 719 CD2 TYR A 728 65.643 -2.168 27.938 1.00 0.00 C ATOM 720 CE1 TYR A 728 67.719 -2.120 29.817 1.00 0.00 C ATOM 721 CE2 TYR A 728 65.699 -1.147 28.894 1.00 0.00 C ATOM 722 CZ TYR A 728 66.752 -1.110 29.818 1.00 0.00 C ATOM 723 OH TYR A 728 66.812 -0.096 30.753 1.00 0.00 O ATOM 0 H TYR A 728 67.499 -5.705 24.542 1.00 0.00 H new ATOM 0 HA TYR A 728 67.434 -2.938 25.521 1.00 0.00 H new ATOM 0 HB2 TYR A 728 65.513 -4.406 26.557 1.00 0.00 H new ATOM 0 HB3 TYR A 728 66.801 -5.252 27.393 1.00 0.00 H new ATOM 0 HD1 TYR A 728 68.314 -4.009 28.971 1.00 0.00 H new ATOM 0 HD2 TYR A 728 64.861 -2.169 27.194 1.00 0.00 H new ATOM 0 HE1 TYR A 728 68.546 -2.076 30.510 1.00 0.00 H new ATOM 0 HE2 TYR A 728 64.931 -0.388 28.919 1.00 0.00 H new ATOM 0 HH TYR A 728 66.065 0.523 30.613 1.00 0.00 H new TER 733 TYR A 728