USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 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= -0.0932 K(o=-0.093,f=-0.97) USER MOD Single : A 685 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 686 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.5!) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 180:sc= -0.0767 USER MOD Single : A 698 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.38) USER MOD Single : A 699 LYS NZ :NH3+ 151:sc= -0.0403 (180deg=-0.384) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -163:sc= 0.294 (180deg=0.174) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 157:sc=-0.00218 (180deg=-0.191) USER MOD Single : A 727 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 58.742 27.574 -0.970 1.00 0.00 N ATOM 2 CA VAL A 683 59.644 26.636 -0.312 1.00 0.00 C ATOM 3 C VAL A 683 58.854 25.626 0.519 1.00 0.00 C ATOM 4 O VAL A 683 59.273 25.248 1.616 1.00 0.00 O ATOM 5 CB VAL A 683 60.631 27.397 0.586 1.00 0.00 C ATOM 6 CG1 VAL A 683 61.651 28.137 -0.285 1.00 0.00 C ATOM 7 CG2 VAL A 683 59.870 28.408 1.452 1.00 0.00 C ATOM 0 HA VAL A 683 60.201 26.096 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 683 61.150 26.688 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 683 62.351 28.677 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 683 62.197 27.418 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 683 61.132 28.843 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 683 60.574 28.945 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 683 59.347 29.116 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 683 59.147 27.882 2.076 1.00 0.00 H new ATOM 16 N HIS A 684 57.821 25.055 -0.094 1.00 0.00 N ATOM 17 CA HIS A 684 57.001 24.046 0.573 1.00 0.00 C ATOM 18 C HIS A 684 57.447 22.646 0.163 1.00 0.00 C ATOM 19 O HIS A 684 57.717 22.393 -1.011 1.00 0.00 O ATOM 20 CB HIS A 684 55.527 24.240 0.204 1.00 0.00 C ATOM 21 CG HIS A 684 55.186 25.706 0.241 1.00 0.00 C ATOM 22 ND1 HIS A 684 55.407 26.536 -0.847 1.00 0.00 N ATOM 23 CD2 HIS A 684 54.859 26.539 1.281 1.00 0.00 C ATOM 24 CE1 HIS A 684 55.095 27.789 -0.472 1.00 0.00 C ATOM 25 NE2 HIS A 684 54.769 27.851 0.821 1.00 0.00 N ATOM 0 H HIS A 684 57.532 25.272 -1.048 1.00 0.00 H new ATOM 0 HA HIS A 684 57.122 24.158 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 684 55.334 23.836 -0.790 1.00 0.00 H new ATOM 0 HB3 HIS A 684 54.892 23.691 0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 684 54.696 26.225 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 684 55.107 28.641 -1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 684 54.510 28.680 1.356 1.00 0.00 H new ATOM 33 N HIS A 685 57.380 21.710 1.107 1.00 0.00 N ATOM 34 CA HIS A 685 57.683 20.314 0.807 1.00 0.00 C ATOM 35 C HIS A 685 56.486 19.641 0.141 1.00 0.00 C ATOM 36 O HIS A 685 55.509 19.298 0.810 1.00 0.00 O ATOM 37 CB HIS A 685 58.047 19.566 2.093 1.00 0.00 C ATOM 38 CG HIS A 685 59.322 20.132 2.660 1.00 0.00 C ATOM 39 ND1 HIS A 685 59.349 20.841 3.851 1.00 0.00 N ATOM 40 CD2 HIS A 685 60.598 20.206 2.154 1.00 0.00 C ATOM 41 CE1 HIS A 685 60.628 21.182 4.087 1.00 0.00 C ATOM 42 NE2 HIS A 685 61.415 20.895 3.046 1.00 0.00 N ATOM 0 H HIS A 685 57.121 21.891 2.077 1.00 0.00 H new ATOM 0 HA HIS A 685 58.531 20.284 0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 685 57.241 19.658 2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 685 58.169 18.503 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 685 60.918 19.793 1.209 1.00 0.00 H new ATOM 0 HE1 HIS A 685 60.976 21.632 5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 685 62.401 21.130 2.930 1.00 0.00 H new ATOM 50 N GLN A 686 56.472 19.675 -1.190 1.00 0.00 N ATOM 51 CA GLN A 686 55.375 19.085 -1.953 1.00 0.00 C ATOM 52 C GLN A 686 55.205 17.611 -1.598 1.00 0.00 C ATOM 53 O GLN A 686 56.188 16.879 -1.477 1.00 0.00 O ATOM 54 CB GLN A 686 55.651 19.220 -3.455 1.00 0.00 C ATOM 55 CG GLN A 686 55.445 20.676 -3.890 1.00 0.00 C ATOM 56 CD GLN A 686 53.976 20.930 -4.224 1.00 0.00 C ATOM 57 OE1 GLN A 686 53.103 20.153 -3.836 1.00 0.00 O ATOM 58 NE2 GLN A 686 53.645 22.011 -4.875 1.00 0.00 N ATOM 0 H GLN A 686 57.203 20.102 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 686 54.457 19.616 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 686 56.671 18.905 -3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 686 54.985 18.565 -4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 686 55.765 21.349 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 686 56.065 20.893 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 686 54.368 22.654 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 686 52.663 22.213 -5.063 1.00 0.00 H new ATOM 67 N LYS A 687 53.971 17.225 -1.280 1.00 0.00 N ATOM 68 CA LYS A 687 53.690 15.864 -0.832 1.00 0.00 C ATOM 69 C LYS A 687 52.409 15.341 -1.482 1.00 0.00 C ATOM 70 O LYS A 687 51.481 14.908 -0.797 1.00 0.00 O ATOM 71 CB LYS A 687 53.556 15.830 0.697 1.00 0.00 C ATOM 72 CG LYS A 687 52.667 16.988 1.167 1.00 0.00 C ATOM 73 CD LYS A 687 51.919 16.579 2.439 1.00 0.00 C ATOM 74 CE LYS A 687 51.198 17.796 3.029 1.00 0.00 C ATOM 75 NZ LYS A 687 51.911 18.254 4.256 1.00 0.00 N1+ ATOM 0 H LYS A 687 53.153 17.833 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 687 54.519 15.222 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 687 53.127 14.879 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 687 54.540 15.904 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 687 53.275 17.872 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 687 51.956 17.254 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 687 51.199 15.793 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 687 52.619 16.170 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 687 51.162 18.601 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 687 50.167 17.539 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 51.420 19.080 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 51.923 17.486 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 52.888 18.516 4.013 1.00 0.00 H new ATOM 89 N LEU A 688 52.398 15.328 -2.813 1.00 0.00 N ATOM 90 CA LEU A 688 51.232 14.863 -3.560 1.00 0.00 C ATOM 91 C LEU A 688 51.396 13.396 -3.948 1.00 0.00 C ATOM 92 O LEU A 688 50.409 12.674 -4.097 1.00 0.00 O ATOM 93 CB LEU A 688 51.054 15.712 -4.825 1.00 0.00 C ATOM 94 CG LEU A 688 50.153 16.918 -4.523 1.00 0.00 C ATOM 95 CD1 LEU A 688 50.792 17.781 -3.428 1.00 0.00 C ATOM 96 CD2 LEU A 688 49.972 17.754 -5.795 1.00 0.00 C ATOM 0 H LEU A 688 53.179 15.632 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 688 50.351 14.963 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 688 52.025 16.053 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 688 50.615 15.109 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 688 49.181 16.564 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 688 50.149 18.636 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 688 50.915 17.187 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 688 51.766 18.134 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 688 49.332 18.610 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 688 50.944 18.105 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 688 49.511 17.142 -6.570 1.00 0.00 H new ATOM 108 N VAL A 689 52.642 12.927 -3.946 1.00 0.00 N ATOM 109 CA VAL A 689 52.933 11.533 -4.266 1.00 0.00 C ATOM 110 C VAL A 689 52.353 10.598 -3.204 1.00 0.00 C ATOM 111 O VAL A 689 52.172 9.407 -3.452 1.00 0.00 O ATOM 112 CB VAL A 689 54.452 11.330 -4.366 1.00 0.00 C ATOM 113 CG1 VAL A 689 55.103 11.606 -3.005 1.00 0.00 C ATOM 114 CG2 VAL A 689 54.757 9.891 -4.796 1.00 0.00 C ATOM 0 H VAL A 689 53.463 13.491 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 689 52.470 11.294 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 689 54.855 12.021 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 689 56.181 11.461 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 689 54.896 12.633 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 689 54.696 10.921 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.836 9.753 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 689 54.349 9.197 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 689 54.303 9.698 -5.768 1.00 0.00 H new ATOM 124 N PHE A 690 51.906 11.179 -2.092 1.00 0.00 N ATOM 125 CA PHE A 690 51.237 10.408 -1.049 1.00 0.00 C ATOM 126 C PHE A 690 49.721 10.556 -1.156 1.00 0.00 C ATOM 127 O PHE A 690 48.981 9.594 -0.948 1.00 0.00 O ATOM 128 CB PHE A 690 51.703 10.880 0.331 1.00 0.00 C ATOM 129 CG PHE A 690 53.179 10.592 0.489 1.00 0.00 C ATOM 130 CD1 PHE A 690 53.613 9.274 0.687 1.00 0.00 C ATOM 131 CD2 PHE A 690 54.116 11.606 0.257 1.00 0.00 C ATOM 132 CE1 PHE A 690 54.982 8.985 0.729 1.00 0.00 C ATOM 133 CE2 PHE A 690 55.486 11.321 0.318 1.00 0.00 C ATOM 134 CZ PHE A 690 55.918 10.010 0.544 1.00 0.00 C ATOM 0 H PHE A 690 51.995 12.175 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 690 51.496 9.357 -1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 690 51.515 11.948 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 690 51.137 10.372 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 690 52.890 8.481 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 690 53.782 12.608 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 690 55.316 7.973 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 690 56.209 12.113 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 690 56.974 9.788 0.576 1.00 0.00 H new ATOM 144 N PHE A 691 49.273 11.735 -1.582 1.00 0.00 N ATOM 145 CA PHE A 691 47.846 12.046 -1.585 1.00 0.00 C ATOM 146 C PHE A 691 47.204 11.612 -2.899 1.00 0.00 C ATOM 147 O PHE A 691 46.255 10.829 -2.904 1.00 0.00 O ATOM 148 CB PHE A 691 47.639 13.552 -1.383 1.00 0.00 C ATOM 149 CG PHE A 691 46.713 13.785 -0.211 1.00 0.00 C ATOM 150 CD1 PHE A 691 45.363 13.422 -0.304 1.00 0.00 C ATOM 151 CD2 PHE A 691 47.230 14.244 1.007 1.00 0.00 C ATOM 152 CE1 PHE A 691 44.527 13.542 0.813 1.00 0.00 C ATOM 153 CE2 PHE A 691 46.378 14.434 2.101 1.00 0.00 C ATOM 154 CZ PHE A 691 45.026 14.083 2.004 1.00 0.00 C ATOM 0 H PHE A 691 49.872 12.485 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 691 47.373 11.502 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 691 48.597 14.040 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 691 47.218 13.996 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 691 44.967 13.050 -1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 691 48.286 14.451 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 691 43.498 13.218 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 691 46.763 14.851 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 691 44.368 14.230 2.848 1.00 0.00 H new ATOM 164 N ALA A 692 47.820 12.008 -4.010 1.00 0.00 N ATOM 165 CA ALA A 692 47.319 11.635 -5.330 1.00 0.00 C ATOM 166 C ALA A 692 47.488 10.135 -5.570 1.00 0.00 C ATOM 167 O ALA A 692 46.919 9.583 -6.512 1.00 0.00 O ATOM 168 CB ALA A 692 48.071 12.417 -6.412 1.00 0.00 C ATOM 0 H ALA A 692 48.662 12.584 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 692 46.257 11.877 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 692 47.693 12.134 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 692 47.921 13.486 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 692 49.135 12.188 -6.353 1.00 0.00 H new ATOM 174 N GLU A 693 48.165 9.467 -4.639 1.00 0.00 N ATOM 175 CA GLU A 693 48.334 8.019 -4.714 1.00 0.00 C ATOM 176 C GLU A 693 47.026 7.299 -4.388 1.00 0.00 C ATOM 177 O GLU A 693 46.903 6.093 -4.606 1.00 0.00 O ATOM 178 CB GLU A 693 49.422 7.571 -3.731 1.00 0.00 C ATOM 179 CG GLU A 693 50.666 7.121 -4.503 1.00 0.00 C ATOM 180 CD GLU A 693 50.368 5.840 -5.280 1.00 0.00 C ATOM 181 OE1 GLU A 693 50.237 4.804 -4.650 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 50.270 5.916 -6.494 1.00 0.00 O ATOM 0 H GLU A 693 48.603 9.903 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 693 48.628 7.762 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 693 49.677 8.390 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 693 49.052 6.754 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 693 50.981 7.907 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 693 51.491 6.952 -3.811 1.00 0.00 H new ATOM 189 N ASP A 694 46.048 8.048 -3.881 1.00 0.00 N ATOM 190 CA ASP A 694 44.739 7.480 -3.569 1.00 0.00 C ATOM 191 C ASP A 694 44.042 7.000 -4.841 1.00 0.00 C ATOM 192 O ASP A 694 43.167 6.133 -4.788 1.00 0.00 O ATOM 193 CB ASP A 694 43.864 8.528 -2.870 1.00 0.00 C ATOM 194 CG ASP A 694 44.530 9.016 -1.581 1.00 0.00 C ATOM 195 OD1 ASP A 694 45.227 8.231 -0.958 1.00 0.00 O ATOM 196 OD2 ASP A 694 44.236 10.130 -1.178 1.00 0.00 O1- ATOM 0 H ASP A 694 46.137 9.044 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 694 44.886 6.628 -2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 694 43.694 9.371 -3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 694 42.888 8.100 -2.641 1.00 0.00 H new ATOM 201 N VAL A 695 44.503 7.497 -5.990 1.00 0.00 N ATOM 202 CA VAL A 695 44.020 7.010 -7.284 1.00 0.00 C ATOM 203 C VAL A 695 44.263 5.507 -7.416 1.00 0.00 C ATOM 204 O VAL A 695 43.405 4.776 -7.914 1.00 0.00 O ATOM 205 CB VAL A 695 44.733 7.754 -8.424 1.00 0.00 C ATOM 206 CG1 VAL A 695 44.299 7.176 -9.777 1.00 0.00 C ATOM 207 CG2 VAL A 695 44.371 9.241 -8.374 1.00 0.00 C ATOM 0 H VAL A 695 45.207 8.233 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 695 42.948 7.198 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 695 45.810 7.633 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 695 44.808 7.708 -10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 695 44.559 6.118 -9.821 1.00 0.00 H new ATOM 0 HG13 VAL A 695 43.221 7.290 -9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 695 44.878 9.766 -9.183 1.00 0.00 H new ATOM 0 HG22 VAL A 695 43.293 9.357 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 695 44.684 9.660 -7.418 1.00 0.00 H new ATOM 217 N GLY A 696 45.351 5.037 -6.809 1.00 0.00 N ATOM 218 CA GLY A 696 45.671 3.613 -6.817 1.00 0.00 C ATOM 219 C GLY A 696 45.091 2.918 -5.590 1.00 0.00 C ATOM 220 O GLY A 696 45.590 3.094 -4.477 1.00 0.00 O ATOM 0 H GLY A 696 46.022 5.619 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 696 45.275 3.152 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 696 46.753 3.479 -6.838 1.00 0.00 H new ATOM 224 N SER A 697 43.943 2.267 -5.775 1.00 0.00 N ATOM 225 CA SER A 697 43.346 1.461 -4.714 1.00 0.00 C ATOM 226 C SER A 697 42.700 0.204 -5.299 1.00 0.00 C ATOM 227 O SER A 697 43.340 -0.529 -6.053 1.00 0.00 O ATOM 228 CB SER A 697 42.301 2.292 -3.959 1.00 0.00 C ATOM 229 OG SER A 697 41.856 1.574 -2.818 1.00 0.00 O ATOM 0 H SER A 697 43.411 2.282 -6.645 1.00 0.00 H new ATOM 0 HA SER A 697 44.128 1.155 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 697 42.731 3.247 -3.656 1.00 0.00 H new ATOM 0 HB3 SER A 697 41.458 2.515 -4.613 1.00 0.00 H new ATOM 0 HG SER A 697 41.190 2.107 -2.336 1.00 0.00 H new ATOM 235 N ASN A 698 41.403 0.020 -5.036 1.00 0.00 N ATOM 236 CA ASN A 698 40.698 -1.193 -5.450 1.00 0.00 C ATOM 237 C ASN A 698 41.299 -2.423 -4.772 1.00 0.00 C ATOM 238 O ASN A 698 42.491 -2.702 -4.911 1.00 0.00 O ATOM 239 CB ASN A 698 40.761 -1.360 -6.974 1.00 0.00 C ATOM 240 CG ASN A 698 40.728 0.006 -7.657 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.770 0.760 -7.490 1.00 0.00 O ATOM 242 ND2 ASN A 698 41.770 0.413 -8.328 1.00 0.00 N ATOM 0 H ASN A 698 40.822 0.695 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 698 39.655 -1.097 -5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.671 -1.891 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.922 -1.966 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 698 41.791 1.357 -8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 698 42.564 -0.212 -8.466 1.00 0.00 H new ATOM 249 N LYS A 699 40.448 -3.197 -4.099 1.00 0.00 N ATOM 250 CA LYS A 699 40.899 -4.417 -3.434 1.00 0.00 C ATOM 251 C LYS A 699 41.534 -5.372 -4.442 1.00 0.00 C ATOM 252 O LYS A 699 42.484 -6.084 -4.116 1.00 0.00 O ATOM 253 CB LYS A 699 39.717 -5.109 -2.747 1.00 0.00 C ATOM 254 CG LYS A 699 40.236 -6.055 -1.657 1.00 0.00 C ATOM 255 CD LYS A 699 39.058 -6.802 -1.020 1.00 0.00 C ATOM 256 CE LYS A 699 39.172 -6.743 0.506 1.00 0.00 C ATOM 257 NZ LYS A 699 38.979 -5.337 0.965 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.452 -3.003 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 699 41.644 -4.146 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.051 -4.365 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.134 -5.667 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.942 -6.767 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 699 40.775 -5.489 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 699 38.116 -6.357 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 699 39.050 -7.840 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 699 38.424 -7.392 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 699 40.148 -7.110 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 38.573 -5.337 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 39.896 -4.847 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 38.333 -4.845 0.315 1.00 0.00 H new ATOM 271 N GLY A 700 41.113 -5.254 -5.700 1.00 0.00 N ATOM 272 CA GLY A 700 41.717 -6.027 -6.780 1.00 0.00 C ATOM 273 C GLY A 700 43.180 -5.643 -6.977 1.00 0.00 C ATOM 274 O GLY A 700 44.064 -6.498 -6.942 1.00 0.00 O ATOM 0 H GLY A 700 40.359 -4.633 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.644 -7.091 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.166 -5.858 -7.705 1.00 0.00 H new ATOM 278 N ALA A 701 43.433 -4.348 -7.147 1.00 0.00 N ATOM 279 CA ALA A 701 44.781 -3.874 -7.455 1.00 0.00 C ATOM 280 C ALA A 701 45.677 -3.952 -6.221 1.00 0.00 C ATOM 281 O ALA A 701 46.903 -4.003 -6.337 1.00 0.00 O ATOM 282 CB ALA A 701 44.724 -2.430 -7.960 1.00 0.00 C ATOM 0 H ALA A 701 42.729 -3.613 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 701 45.201 -4.514 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.732 -2.084 -8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.113 -2.384 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.286 -1.793 -7.192 1.00 0.00 H new ATOM 288 N ILE A 702 45.055 -3.992 -5.045 1.00 0.00 N ATOM 289 CA ILE A 702 45.803 -4.063 -3.793 1.00 0.00 C ATOM 290 C ILE A 702 46.607 -5.361 -3.719 1.00 0.00 C ATOM 291 O ILE A 702 47.780 -5.349 -3.344 1.00 0.00 O ATOM 292 CB ILE A 702 44.836 -3.975 -2.603 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.469 -2.506 -2.358 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.496 -4.552 -1.345 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.286 -2.419 -1.390 1.00 0.00 C ATOM 0 H ILE A 702 44.041 -3.977 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 702 46.498 -3.224 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 702 43.937 -4.549 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.326 -1.972 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.214 -2.023 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.802 -4.485 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.757 -5.596 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.398 -3.986 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.031 -1.373 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.428 -2.937 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.556 -2.885 -0.442 1.00 0.00 H new ATOM 307 N ILE A 703 46.002 -6.459 -4.171 1.00 0.00 N ATOM 308 CA ILE A 703 46.677 -7.756 -4.147 1.00 0.00 C ATOM 309 C ILE A 703 47.915 -7.727 -5.041 1.00 0.00 C ATOM 310 O ILE A 703 48.917 -8.375 -4.739 1.00 0.00 O ATOM 311 CB ILE A 703 45.719 -8.871 -4.607 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.737 -8.984 -6.139 1.00 0.00 C ATOM 313 CG2 ILE A 703 44.296 -8.560 -4.127 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.556 -9.837 -6.613 1.00 0.00 C ATOM 0 H ILE A 703 45.057 -6.477 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 703 46.987 -7.963 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 703 46.046 -9.819 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.683 -7.991 -6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 703 46.675 -9.431 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 703 43.621 -9.351 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 703 44.284 -8.500 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 703 43.970 -7.608 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 703 44.575 -9.913 -7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.630 -10.834 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.622 -9.372 -6.298 1.00 0.00 H new ATOM 326 N GLY A 704 47.917 -6.801 -5.998 1.00 0.00 N ATOM 327 CA GLY A 704 49.051 -6.645 -6.902 1.00 0.00 C ATOM 328 C GLY A 704 50.226 -5.972 -6.197 1.00 0.00 C ATOM 329 O GLY A 704 51.371 -6.401 -6.337 1.00 0.00 O ATOM 0 H GLY A 704 47.149 -6.151 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.358 -7.621 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.753 -6.051 -7.766 1.00 0.00 H new ATOM 333 N LEU A 705 49.924 -4.971 -5.372 1.00 0.00 N ATOM 334 CA LEU A 705 50.954 -4.315 -4.571 1.00 0.00 C ATOM 335 C LEU A 705 51.457 -5.242 -3.469 1.00 0.00 C ATOM 336 O LEU A 705 52.582 -5.093 -2.991 1.00 0.00 O ATOM 337 CB LEU A 705 50.395 -3.034 -3.943 1.00 0.00 C ATOM 338 CG LEU A 705 50.044 -2.024 -5.041 1.00 0.00 C ATOM 339 CD1 LEU A 705 49.328 -0.824 -4.415 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.325 -1.549 -5.738 1.00 0.00 C ATOM 0 H LEU A 705 48.983 -4.600 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 705 51.787 -4.066 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.508 -3.265 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 705 51.128 -2.603 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 705 49.392 -2.499 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 705 49.077 -0.104 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.415 -1.161 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.982 -0.352 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 705 51.070 -0.831 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.982 -1.075 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.835 -2.403 -6.184 1.00 0.00 H new ATOM 352 N MET A 706 50.607 -6.174 -3.044 1.00 0.00 N ATOM 353 CA MET A 706 50.951 -7.051 -1.930 1.00 0.00 C ATOM 354 C MET A 706 52.161 -7.914 -2.279 1.00 0.00 C ATOM 355 O MET A 706 53.154 -7.922 -1.551 1.00 0.00 O ATOM 356 CB MET A 706 49.761 -7.949 -1.577 1.00 0.00 C ATOM 357 CG MET A 706 50.152 -8.890 -0.435 1.00 0.00 C ATOM 358 SD MET A 706 50.867 -10.405 -1.119 1.00 0.00 S ATOM 359 CE MET A 706 50.635 -11.443 0.343 1.00 0.00 C ATOM 0 H MET A 706 49.686 -6.340 -3.449 1.00 0.00 H new ATOM 0 HA MET A 706 51.199 -6.430 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.906 -7.339 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.456 -8.526 -2.450 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.870 -8.401 0.223 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.277 -9.129 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.014 -12.445 0.142 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.177 -11.012 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.574 -11.498 0.585 1.00 0.00 H new ATOM 369 N VAL A 707 52.135 -8.508 -3.471 1.00 0.00 N ATOM 370 CA VAL A 707 53.209 -9.406 -3.891 1.00 0.00 C ATOM 371 C VAL A 707 54.479 -8.612 -4.187 1.00 0.00 C ATOM 372 O VAL A 707 55.577 -9.029 -3.817 1.00 0.00 O ATOM 373 CB VAL A 707 52.786 -10.203 -5.137 1.00 0.00 C ATOM 374 CG1 VAL A 707 51.311 -10.601 -5.021 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.986 -9.356 -6.398 1.00 0.00 C ATOM 0 H VAL A 707 51.390 -8.386 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 707 53.411 -10.105 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 707 53.402 -11.100 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 707 51.016 -11.165 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 707 51.169 -11.217 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 707 50.697 -9.704 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.683 -9.930 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.380 -8.453 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.037 -9.082 -6.489 1.00 0.00 H new ATOM 385 N GLY A 708 54.295 -7.381 -4.660 1.00 0.00 N ATOM 386 CA GLY A 708 55.420 -6.491 -4.923 1.00 0.00 C ATOM 387 C GLY A 708 55.732 -5.629 -3.703 1.00 0.00 C ATOM 388 O GLY A 708 56.608 -4.765 -3.756 1.00 0.00 O ATOM 0 H GLY A 708 53.381 -6.980 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.298 -7.078 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.191 -5.852 -5.776 1.00 0.00 H new ATOM 392 N GLY A 709 55.155 -6.003 -2.563 1.00 0.00 N ATOM 393 CA GLY A 709 55.430 -5.308 -1.309 1.00 0.00 C ATOM 394 C GLY A 709 56.729 -5.804 -0.681 1.00 0.00 C ATOM 395 O GLY A 709 57.041 -5.467 0.461 1.00 0.00 O ATOM 0 H GLY A 709 54.498 -6.779 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.496 -4.235 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.604 -5.463 -0.615 1.00 0.00 H new ATOM 399 N VAL A 710 57.518 -6.538 -1.461 1.00 0.00 N ATOM 400 CA VAL A 710 58.763 -7.114 -0.960 1.00 0.00 C ATOM 401 C VAL A 710 59.782 -6.017 -0.661 1.00 0.00 C ATOM 402 O VAL A 710 60.390 -6.002 0.411 1.00 0.00 O ATOM 403 CB VAL A 710 59.337 -8.093 -1.994 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.578 -7.367 -3.323 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.662 -8.671 -1.480 1.00 0.00 C ATOM 0 H VAL A 710 57.319 -6.748 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 710 58.550 -7.650 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 710 58.624 -8.902 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.985 -8.068 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.635 -6.965 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.285 -6.552 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 710 61.066 -9.365 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 710 61.373 -7.861 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.489 -9.198 -0.541 1.00 0.00 H new ATOM 415 N VAL A 711 59.831 -5.013 -1.533 1.00 0.00 N ATOM 416 CA VAL A 711 60.753 -3.897 -1.352 1.00 0.00 C ATOM 417 C VAL A 711 60.245 -2.957 -0.264 1.00 0.00 C ATOM 418 O VAL A 711 60.971 -2.640 0.678 1.00 0.00 O ATOM 419 CB VAL A 711 60.905 -3.127 -2.670 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.983 -2.048 -2.515 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.310 -4.094 -3.788 1.00 0.00 C ATOM 0 H VAL A 711 59.247 -4.950 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 711 61.723 -4.293 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 711 59.954 -2.657 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.089 -1.502 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.694 -1.356 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.933 -2.517 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.417 -3.544 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.259 -4.567 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.542 -4.859 -3.903 1.00 0.00 H new ATOM 431 N ILE A 712 58.941 -2.690 -0.293 1.00 0.00 N ATOM 432 CA ILE A 712 58.338 -1.756 0.654 1.00 0.00 C ATOM 433 C ILE A 712 58.298 -2.367 2.054 1.00 0.00 C ATOM 434 O ILE A 712 58.485 -1.665 3.047 1.00 0.00 O ATOM 435 CB ILE A 712 56.914 -1.399 0.205 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.937 -0.915 -1.251 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.353 -0.290 1.106 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.503 -0.693 -1.743 1.00 0.00 C ATOM 0 H ILE A 712 58.286 -3.104 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 712 58.945 -0.851 0.682 1.00 0.00 H new ATOM 0 HB ILE A 712 56.281 -2.283 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.506 0.012 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.438 -1.650 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.342 -0.038 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.331 -0.637 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.988 0.593 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.522 -0.349 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.948 -1.629 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.017 0.058 -1.120 1.00 0.00 H new ATOM 450 N ALA A 713 58.237 -3.695 2.108 1.00 0.00 N ATOM 451 CA ALA A 713 58.256 -4.405 3.384 1.00 0.00 C ATOM 452 C ALA A 713 59.538 -4.098 4.149 1.00 0.00 C ATOM 453 O ALA A 713 59.490 -3.543 5.246 1.00 0.00 O ATOM 454 CB ALA A 713 58.152 -5.914 3.146 1.00 0.00 C ATOM 0 H ALA A 713 58.174 -4.298 1.288 1.00 0.00 H new ATOM 0 HA ALA A 713 57.403 -4.071 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.167 -6.435 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.220 -6.137 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.995 -6.246 2.539 1.00 0.00 H new ATOM 460 N THR A 714 60.669 -4.237 3.459 1.00 0.00 N ATOM 461 CA THR A 714 61.969 -4.001 4.078 1.00 0.00 C ATOM 462 C THR A 714 62.086 -2.553 4.543 1.00 0.00 C ATOM 463 O THR A 714 62.417 -2.294 5.700 1.00 0.00 O ATOM 464 CB THR A 714 63.085 -4.312 3.076 1.00 0.00 C ATOM 465 OG1 THR A 714 62.967 -5.658 2.642 1.00 0.00 O ATOM 466 CG2 THR A 714 64.449 -4.109 3.742 1.00 0.00 C ATOM 0 H THR A 714 60.710 -4.510 2.477 1.00 0.00 H new ATOM 0 HA THR A 714 62.065 -4.656 4.944 1.00 0.00 H new ATOM 0 HB THR A 714 62.999 -3.642 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.679 -5.858 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.240 -4.331 3.026 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.541 -3.075 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 714 64.538 -4.776 4.600 1.00 0.00 H new ATOM 474 N VAL A 715 61.596 -1.637 3.711 1.00 0.00 N ATOM 475 CA VAL A 715 61.621 -0.217 4.048 1.00 0.00 C ATOM 476 C VAL A 715 60.902 0.030 5.371 1.00 0.00 C ATOM 477 O VAL A 715 61.469 0.626 6.287 1.00 0.00 O ATOM 478 CB VAL A 715 60.947 0.595 2.935 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.932 2.079 3.319 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.720 0.413 1.623 1.00 0.00 C ATOM 0 H VAL A 715 61.180 -1.851 2.805 1.00 0.00 H new ATOM 0 HA VAL A 715 62.660 0.098 4.148 1.00 0.00 H new ATOM 0 HB VAL A 715 59.923 0.244 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.453 2.655 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.378 2.209 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.955 2.430 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.239 0.991 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.745 0.760 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.726 -0.642 1.348 1.00 0.00 H new ATOM 490 N ILE A 716 59.764 -0.640 5.543 1.00 0.00 N ATOM 491 CA ILE A 716 58.973 -0.493 6.760 1.00 0.00 C ATOM 492 C ILE A 716 59.638 -1.221 7.924 1.00 0.00 C ATOM 493 O ILE A 716 59.583 -0.763 9.065 1.00 0.00 O ATOM 494 CB ILE A 716 57.563 -1.055 6.537 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.828 -0.199 5.497 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.786 -1.035 7.859 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.642 -0.983 4.931 1.00 0.00 C ATOM 0 H ILE A 716 59.372 -1.286 4.858 1.00 0.00 H new ATOM 0 HA ILE A 716 58.907 0.567 7.003 1.00 0.00 H new ATOM 0 HB ILE A 716 57.636 -2.081 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.480 0.727 5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.510 0.079 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.785 -1.435 7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.307 -1.646 8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.714 -0.010 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.122 -0.373 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.002 -1.897 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.956 -1.239 5.739 1.00 0.00 H new ATOM 509 N VAL A 717 60.271 -2.354 7.628 1.00 0.00 N ATOM 510 CA VAL A 717 60.923 -3.155 8.663 1.00 0.00 C ATOM 511 C VAL A 717 62.009 -2.342 9.360 1.00 0.00 C ATOM 512 O VAL A 717 61.983 -2.181 10.581 1.00 0.00 O ATOM 513 CB VAL A 717 61.540 -4.415 8.041 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.372 -5.157 9.093 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.427 -5.335 7.529 1.00 0.00 C ATOM 0 H VAL A 717 60.347 -2.737 6.686 1.00 0.00 H new ATOM 0 HA VAL A 717 60.174 -3.446 9.399 1.00 0.00 H new ATOM 0 HB VAL A 717 62.183 -4.126 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.808 -6.051 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.168 -4.505 9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.732 -5.443 9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.868 -6.229 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.781 -5.621 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.839 -4.811 6.775 1.00 0.00 H new ATOM 525 N ILE A 718 62.844 -1.685 8.560 1.00 0.00 N ATOM 526 CA ILE A 718 63.923 -0.863 9.099 1.00 0.00 C ATOM 527 C ILE A 718 63.353 0.328 9.871 1.00 0.00 C ATOM 528 O ILE A 718 63.891 0.713 10.909 1.00 0.00 O ATOM 529 CB ILE A 718 64.822 -0.376 7.949 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.930 -1.406 7.689 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.463 0.970 8.310 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.319 -2.711 7.170 1.00 0.00 C ATOM 0 H ILE A 718 62.795 -1.705 7.541 1.00 0.00 H new ATOM 0 HA ILE A 718 64.518 -1.462 9.788 1.00 0.00 H new ATOM 0 HB ILE A 718 64.211 -0.255 7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.640 -1.013 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.486 -1.595 8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.097 1.303 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.682 1.709 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.067 0.856 9.210 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.112 -3.437 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.626 -3.109 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 718 64.784 -2.518 6.240 1.00 0.00 H new ATOM 544 N THR A 719 62.177 0.792 9.454 1.00 0.00 N ATOM 545 CA THR A 719 61.478 1.846 10.182 1.00 0.00 C ATOM 546 C THR A 719 60.900 1.303 11.486 1.00 0.00 C ATOM 547 O THR A 719 61.061 1.911 12.546 1.00 0.00 O ATOM 548 CB THR A 719 60.346 2.418 9.322 1.00 0.00 C ATOM 549 OG1 THR A 719 60.811 2.604 7.992 1.00 0.00 O ATOM 550 CG2 THR A 719 59.891 3.766 9.896 1.00 0.00 C ATOM 0 H THR A 719 61.692 0.457 8.622 1.00 0.00 H new ATOM 0 HA THR A 719 62.193 2.636 10.412 1.00 0.00 H new ATOM 0 HB THR A 719 59.506 1.723 9.323 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.800 1.746 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.086 4.170 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.534 3.625 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 719 60.730 4.462 9.898 1.00 0.00 H new ATOM 558 N LEU A 720 60.383 0.079 11.427 1.00 0.00 N ATOM 559 CA LEU A 720 59.782 -0.551 12.597 1.00 0.00 C ATOM 560 C LEU A 720 60.834 -0.788 13.678 1.00 0.00 C ATOM 561 O LEU A 720 60.553 -0.645 14.868 1.00 0.00 O ATOM 562 CB LEU A 720 59.146 -1.893 12.193 1.00 0.00 C ATOM 563 CG LEU A 720 57.616 -1.830 12.338 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.238 -1.757 13.820 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.065 -0.603 11.599 1.00 0.00 C ATOM 0 H LEU A 720 60.368 -0.494 10.584 1.00 0.00 H new ATOM 0 HA LEU A 720 59.015 0.113 12.995 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.410 -2.132 11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.544 -2.693 12.817 1.00 0.00 H new ATOM 0 HG LEU A 720 57.182 -2.729 11.901 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.153 -1.713 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.612 -2.642 14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.679 -0.865 14.264 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.981 -0.569 11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.501 0.302 12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.321 -0.670 10.542 1.00 0.00 H new ATOM 577 N VAL A 721 62.074 -1.011 13.247 1.00 0.00 N ATOM 578 CA VAL A 721 63.167 -1.251 14.183 1.00 0.00 C ATOM 579 C VAL A 721 63.406 -0.017 15.050 1.00 0.00 C ATOM 580 O VAL A 721 63.612 -0.136 16.259 1.00 0.00 O ATOM 581 CB VAL A 721 64.447 -1.603 13.412 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.645 -1.608 14.368 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.297 -2.990 12.776 1.00 0.00 C ATOM 0 H VAL A 721 62.344 -1.030 12.264 1.00 0.00 H new ATOM 0 HA VAL A 721 62.896 -2.086 14.830 1.00 0.00 H new ATOM 0 HB VAL A 721 64.611 -0.859 12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.550 -1.858 13.815 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.756 -0.621 14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.482 -2.348 15.152 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.206 -3.240 12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.128 -3.732 13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.450 -2.986 12.090 1.00 0.00 H new ATOM 593 N MET A 722 63.164 1.157 14.474 1.00 0.00 N ATOM 594 CA MET A 722 63.513 2.409 15.138 1.00 0.00 C ATOM 595 C MET A 722 62.501 2.732 16.236 1.00 0.00 C ATOM 596 O MET A 722 62.850 3.342 17.250 1.00 0.00 O ATOM 597 CB MET A 722 63.545 3.554 14.119 1.00 0.00 C ATOM 598 CG MET A 722 64.729 3.372 13.163 1.00 0.00 C ATOM 599 SD MET A 722 64.801 4.779 12.025 1.00 0.00 S ATOM 600 CE MET A 722 66.078 4.123 10.922 1.00 0.00 C ATOM 0 H MET A 722 62.731 1.268 13.557 1.00 0.00 H new ATOM 0 HA MET A 722 64.500 2.296 15.587 1.00 0.00 H new ATOM 0 HB2 MET A 722 62.612 3.577 13.556 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.628 4.510 14.636 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.659 3.298 13.727 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.620 2.443 12.604 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.281 4.845 10.131 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.990 3.940 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 722 65.732 3.188 10.480 1.00 0.00 H new ATOM 610 N LEU A 723 61.245 2.334 16.017 1.00 0.00 N ATOM 611 CA LEU A 723 60.190 2.554 17.003 1.00 0.00 C ATOM 612 C LEU A 723 60.576 1.955 18.353 1.00 0.00 C ATOM 613 O LEU A 723 60.319 2.552 19.399 1.00 0.00 O ATOM 614 CB LEU A 723 58.879 1.923 16.517 1.00 0.00 C ATOM 615 CG LEU A 723 58.320 2.734 15.341 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.118 2.004 14.741 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.884 4.121 15.826 1.00 0.00 C ATOM 0 H LEU A 723 60.937 1.860 15.168 1.00 0.00 H new ATOM 0 HA LEU A 723 60.054 3.629 17.124 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.052 0.892 16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.154 1.896 17.330 1.00 0.00 H new ATOM 0 HG LEU A 723 59.095 2.845 14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.722 2.581 13.906 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.429 1.021 14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.346 1.889 15.501 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.488 4.692 14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.112 4.014 16.588 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.741 4.645 16.249 1.00 0.00 H new ATOM 629 N LYS A 724 61.185 0.769 18.320 1.00 0.00 N ATOM 630 CA LYS A 724 61.563 0.063 19.547 1.00 0.00 C ATOM 631 C LYS A 724 60.342 -0.219 20.425 1.00 0.00 C ATOM 632 O LYS A 724 59.236 0.241 20.130 1.00 0.00 O ATOM 633 CB LYS A 724 62.590 0.885 20.341 1.00 0.00 C ATOM 634 CG LYS A 724 63.936 0.877 19.607 1.00 0.00 C ATOM 635 CD LYS A 724 64.837 -0.214 20.194 1.00 0.00 C ATOM 636 CE LYS A 724 65.941 -0.564 19.193 1.00 0.00 C ATOM 637 NZ LYS A 724 65.467 -1.645 18.283 1.00 0.00 N1+ ATOM 0 H LYS A 724 61.427 0.277 17.460 1.00 0.00 H new ATOM 0 HA LYS A 724 62.006 -0.890 19.257 1.00 0.00 H new ATOM 0 HB2 LYS A 724 62.236 1.909 20.461 1.00 0.00 H new ATOM 0 HB3 LYS A 724 62.708 0.469 21.342 1.00 0.00 H new ATOM 0 HG2 LYS A 724 63.780 0.700 18.543 1.00 0.00 H new ATOM 0 HG3 LYS A 724 64.418 1.850 19.701 1.00 0.00 H new ATOM 0 HD2 LYS A 724 65.277 0.129 21.130 1.00 0.00 H new ATOM 0 HD3 LYS A 724 64.247 -1.101 20.425 1.00 0.00 H new ATOM 0 HE2 LYS A 724 66.214 0.318 18.614 1.00 0.00 H new ATOM 0 HE3 LYS A 724 66.837 -0.888 19.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 66.283 -2.079 17.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 64.964 -2.368 18.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 64.823 -1.243 17.572 1.00 0.00 H new ATOM 651 N LYS A 725 60.511 -1.155 21.360 1.00 0.00 N ATOM 652 CA LYS A 725 59.478 -1.448 22.351 1.00 0.00 C ATOM 653 C LYS A 725 58.216 -1.986 21.677 1.00 0.00 C ATOM 654 O LYS A 725 57.296 -1.228 21.360 1.00 0.00 O ATOM 655 CB LYS A 725 59.144 -0.189 23.163 1.00 0.00 C ATOM 656 CG LYS A 725 58.580 -0.600 24.527 1.00 0.00 C ATOM 657 CD LYS A 725 58.109 0.644 25.291 1.00 0.00 C ATOM 658 CE LYS A 725 58.544 0.539 26.756 1.00 0.00 C ATOM 659 NZ LYS A 725 57.802 1.545 27.569 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.354 -1.722 21.451 1.00 0.00 H new ATOM 0 HA LYS A 725 59.863 -2.213 23.026 1.00 0.00 H new ATOM 0 HB2 LYS A 725 60.038 0.420 23.295 1.00 0.00 H new ATOM 0 HB3 LYS A 725 58.419 0.422 22.626 1.00 0.00 H new ATOM 0 HG2 LYS A 725 57.749 -1.292 24.393 1.00 0.00 H new ATOM 0 HG3 LYS A 725 59.342 -1.125 25.103 1.00 0.00 H new ATOM 0 HD2 LYS A 725 58.530 1.542 24.839 1.00 0.00 H new ATOM 0 HD3 LYS A 725 57.025 0.734 25.228 1.00 0.00 H new ATOM 0 HE2 LYS A 725 58.348 -0.465 27.133 1.00 0.00 H new ATOM 0 HE3 LYS A 725 59.618 0.708 26.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 58.097 1.474 28.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 58.010 2.500 27.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 56.780 1.364 27.497 1.00 0.00 H new ATOM 673 N LYS A 726 58.134 -3.309 21.574 1.00 0.00 N ATOM 674 CA LYS A 726 57.042 -3.951 20.848 1.00 0.00 C ATOM 675 C LYS A 726 55.993 -4.478 21.820 1.00 0.00 C ATOM 676 O LYS A 726 56.330 -5.108 22.823 1.00 0.00 O ATOM 677 CB LYS A 726 57.585 -5.112 20.009 1.00 0.00 C ATOM 678 CG LYS A 726 58.775 -4.628 19.174 1.00 0.00 C ATOM 679 CD LYS A 726 59.283 -5.772 18.288 1.00 0.00 C ATOM 680 CE LYS A 726 60.743 -6.077 18.629 1.00 0.00 C ATOM 681 NZ LYS A 726 60.829 -6.597 20.024 1.00 0.00 N1+ ATOM 0 H LYS A 726 58.808 -3.956 21.983 1.00 0.00 H new ATOM 0 HA LYS A 726 56.581 -3.211 20.194 1.00 0.00 H new ATOM 0 HB2 LYS A 726 57.893 -5.931 20.659 1.00 0.00 H new ATOM 0 HB3 LYS A 726 56.803 -5.499 19.356 1.00 0.00 H new ATOM 0 HG2 LYS A 726 58.478 -3.781 18.556 1.00 0.00 H new ATOM 0 HG3 LYS A 726 59.574 -4.280 19.829 1.00 0.00 H new ATOM 0 HD2 LYS A 726 58.671 -6.661 18.438 1.00 0.00 H new ATOM 0 HD3 LYS A 726 59.194 -5.498 17.237 1.00 0.00 H new ATOM 0 HE2 LYS A 726 61.145 -6.811 17.930 1.00 0.00 H new ATOM 0 HE3 LYS A 726 61.347 -5.176 18.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 61.700 -7.155 20.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 60.843 -5.800 20.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 60.005 -7.199 20.221 1.00 0.00 H new ATOM 695 N GLN A 727 54.739 -4.087 21.593 1.00 0.00 N ATOM 696 CA GLN A 727 53.637 -4.491 22.467 1.00 0.00 C ATOM 697 C GLN A 727 53.827 -3.931 23.877 1.00 0.00 C ATOM 698 O GLN A 727 54.896 -3.416 24.210 1.00 0.00 O ATOM 699 CB GLN A 727 53.540 -6.022 22.524 1.00 0.00 C ATOM 700 CG GLN A 727 52.283 -6.429 23.302 1.00 0.00 C ATOM 701 CD GLN A 727 51.891 -7.866 22.964 1.00 0.00 C ATOM 702 OE1 GLN A 727 52.739 -8.666 22.567 1.00 0.00 O ATOM 703 NE2 GLN A 727 50.676 -8.272 23.211 1.00 0.00 N ATOM 0 H GLN A 727 54.461 -3.492 20.813 1.00 0.00 H new ATOM 0 HA GLN A 727 52.712 -4.088 22.056 1.00 0.00 H new ATOM 0 HB2 GLN A 727 53.504 -6.432 21.515 1.00 0.00 H new ATOM 0 HB3 GLN A 727 54.427 -6.435 23.004 1.00 0.00 H new ATOM 0 HG2 GLN A 727 52.464 -6.337 24.373 1.00 0.00 H new ATOM 0 HG3 GLN A 727 51.462 -5.754 23.059 1.00 0.00 H new ATOM 0 HE21 GLN A 727 49.974 -7.609 23.540 1.00 0.00 H new ATOM 0 HE22 GLN A 727 50.428 -9.252 23.075 1.00 0.00 H new ATOM 712 N TYR A 728 52.729 -3.856 24.625 1.00 0.00 N ATOM 713 CA TYR A 728 52.790 -3.445 26.023 1.00 0.00 C ATOM 714 C TYR A 728 53.223 -4.613 26.905 1.00 0.00 C ATOM 715 O TYR A 728 52.656 -5.704 26.830 1.00 0.00 O ATOM 716 CB TYR A 728 51.418 -2.936 26.478 1.00 0.00 C ATOM 717 CG TYR A 728 51.598 -1.829 27.494 1.00 0.00 C ATOM 718 CD1 TYR A 728 51.908 -2.145 28.823 1.00 0.00 C ATOM 719 CD2 TYR A 728 51.566 -0.491 27.081 1.00 0.00 C ATOM 720 CE1 TYR A 728 52.175 -1.121 29.740 1.00 0.00 C ATOM 721 CE2 TYR A 728 51.793 0.533 28.008 1.00 0.00 C ATOM 722 CZ TYR A 728 52.078 0.217 29.342 1.00 0.00 C ATOM 723 OH TYR A 728 52.281 1.227 30.261 1.00 0.00 O ATOM 0 H TYR A 728 51.791 -4.073 24.288 1.00 0.00 H new ATOM 0 HA TYR A 728 53.523 -2.643 26.117 1.00 0.00 H new ATOM 0 HB2 TYR A 728 50.853 -2.569 25.621 1.00 0.00 H new ATOM 0 HB3 TYR A 728 50.842 -3.753 26.913 1.00 0.00 H new ATOM 0 HD1 TYR A 728 51.941 -3.177 29.140 1.00 0.00 H new ATOM 0 HD2 TYR A 728 51.366 -0.249 26.048 1.00 0.00 H new ATOM 0 HE1 TYR A 728 52.456 -1.364 30.754 1.00 0.00 H new ATOM 0 HE2 TYR A 728 51.748 1.566 27.695 1.00 0.00 H new ATOM 0 HH TYR A 728 52.178 2.096 29.820 1.00 0.00 H new TER 733 TYR A 728