USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=6 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 Set 1.1: A 697 SER OG : rot 180:sc= -0.104 USER MOD Set 1.2: A 698 ASN : amide:sc= -0.108 X(o=-0.21,f=-0.17) USER MOD Single : A 684 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 685 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 LYS NZ :NH3+ -164:sc=-0.000192 (180deg=-0.256) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot -27:sc= 0.895 USER MOD Single : A 719 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.447) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.953 K(o=-0.95,f=-2.1) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 71.926 -1.131 -15.156 1.00 0.00 N ATOM 2 CA VAL A 683 71.555 -1.483 -13.789 1.00 0.00 C ATOM 3 C VAL A 683 70.437 -0.573 -13.284 1.00 0.00 C ATOM 4 O VAL A 683 69.711 -0.928 -12.355 1.00 0.00 O ATOM 5 CB VAL A 683 72.777 -1.361 -12.867 1.00 0.00 C ATOM 6 CG1 VAL A 683 72.404 -1.827 -11.456 1.00 0.00 C ATOM 7 CG2 VAL A 683 73.920 -2.229 -13.407 1.00 0.00 C ATOM 0 HA VAL A 683 71.198 -2.513 -13.783 1.00 0.00 H new ATOM 0 HB VAL A 683 73.099 -0.320 -12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 683 73.272 -1.740 -10.803 1.00 0.00 H new ATOM 0 HG12 VAL A 683 71.595 -1.206 -11.070 1.00 0.00 H new ATOM 0 HG13 VAL A 683 72.079 -2.867 -11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 683 74.786 -2.140 -12.751 1.00 0.00 H new ATOM 0 HG22 VAL A 683 73.599 -3.270 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 683 74.189 -1.895 -14.409 1.00 0.00 H new ATOM 16 N HIS A 684 70.223 0.537 -13.986 1.00 0.00 N ATOM 17 CA HIS A 684 69.174 1.481 -13.617 1.00 0.00 C ATOM 18 C HIS A 684 67.857 1.114 -14.293 1.00 0.00 C ATOM 19 O HIS A 684 66.795 1.585 -13.883 1.00 0.00 O ATOM 20 CB HIS A 684 69.580 2.897 -14.028 1.00 0.00 C ATOM 21 CG HIS A 684 70.796 3.316 -13.249 1.00 0.00 C ATOM 22 ND1 HIS A 684 70.705 3.815 -11.959 1.00 0.00 N ATOM 23 CD2 HIS A 684 72.137 3.148 -13.489 1.00 0.00 C ATOM 24 CE1 HIS A 684 71.958 3.989 -11.501 1.00 0.00 C ATOM 25 NE2 HIS A 684 72.869 3.597 -12.394 1.00 0.00 N ATOM 0 H HIS A 684 70.761 0.803 -14.811 1.00 0.00 H new ATOM 0 HA HIS A 684 69.038 1.438 -12.536 1.00 0.00 H new ATOM 0 HB2 HIS A 684 69.790 2.931 -15.097 1.00 0.00 H new ATOM 0 HB3 HIS A 684 68.760 3.590 -13.843 1.00 0.00 H new ATOM 0 HD2 HIS A 684 72.560 2.731 -14.391 1.00 0.00 H new ATOM 0 HE1 HIS A 684 72.197 4.396 -10.530 1.00 0.00 H new ATOM 0 HE2 HIS A 684 73.884 3.621 -12.295 1.00 0.00 H new ATOM 33 N HIS A 685 67.960 0.457 -15.448 1.00 0.00 N ATOM 34 CA HIS A 685 66.780 0.085 -16.225 1.00 0.00 C ATOM 35 C HIS A 685 65.970 1.323 -16.604 1.00 0.00 C ATOM 36 O HIS A 685 66.411 2.453 -16.387 1.00 0.00 O ATOM 37 CB HIS A 685 65.903 -0.882 -15.419 1.00 0.00 C ATOM 38 CG HIS A 685 66.524 -2.253 -15.423 1.00 0.00 C ATOM 39 ND1 HIS A 685 65.761 -3.407 -15.486 1.00 0.00 N ATOM 40 CD2 HIS A 685 67.829 -2.671 -15.314 1.00 0.00 C ATOM 41 CE1 HIS A 685 66.605 -4.454 -15.473 1.00 0.00 C ATOM 42 NE2 HIS A 685 67.879 -4.061 -15.393 1.00 0.00 N ATOM 0 H HIS A 685 68.846 0.172 -15.865 1.00 0.00 H new ATOM 0 HA HIS A 685 67.113 -0.407 -17.139 1.00 0.00 H new ATOM 0 HB2 HIS A 685 65.796 -0.524 -14.395 1.00 0.00 H new ATOM 0 HB3 HIS A 685 64.902 -0.924 -15.848 1.00 0.00 H new ATOM 0 HD2 HIS A 685 68.683 -2.022 -15.187 1.00 0.00 H new ATOM 0 HE1 HIS A 685 66.291 -5.486 -15.521 1.00 0.00 H new ATOM 0 HE2 HIS A 685 68.710 -4.652 -15.390 1.00 0.00 H new ATOM 50 N GLN A 686 64.860 1.104 -17.303 1.00 0.00 N ATOM 51 CA GLN A 686 64.000 2.206 -17.725 1.00 0.00 C ATOM 52 C GLN A 686 62.532 1.799 -17.654 1.00 0.00 C ATOM 53 O GLN A 686 61.670 2.462 -18.235 1.00 0.00 O ATOM 54 CB GLN A 686 64.355 2.625 -19.155 1.00 0.00 C ATOM 55 CG GLN A 686 64.116 1.453 -20.115 1.00 0.00 C ATOM 56 CD GLN A 686 64.813 1.713 -21.448 1.00 0.00 C ATOM 57 OE1 GLN A 686 64.860 2.852 -21.914 1.00 0.00 O ATOM 58 NE2 GLN A 686 65.291 0.707 -22.129 1.00 0.00 N ATOM 0 H GLN A 686 64.536 0.180 -17.588 1.00 0.00 H new ATOM 0 HA GLN A 686 64.160 3.048 -17.052 1.00 0.00 H new ATOM 0 HB2 GLN A 686 63.750 3.481 -19.454 1.00 0.00 H new ATOM 0 HB3 GLN A 686 65.397 2.940 -19.203 1.00 0.00 H new ATOM 0 HG2 GLN A 686 64.492 0.530 -19.674 1.00 0.00 H new ATOM 0 HG3 GLN A 686 63.046 1.317 -20.276 1.00 0.00 H new ATOM 0 HE21 GLN A 686 65.251 -0.236 -21.742 1.00 0.00 H new ATOM 0 HE22 GLN A 686 65.704 0.864 -23.048 1.00 0.00 H new ATOM 67 N LYS A 687 62.235 0.833 -16.789 1.00 0.00 N ATOM 68 CA LYS A 687 60.861 0.388 -16.590 1.00 0.00 C ATOM 69 C LYS A 687 60.042 1.475 -15.901 1.00 0.00 C ATOM 70 O LYS A 687 59.042 1.946 -16.444 1.00 0.00 O ATOM 71 CB LYS A 687 60.840 -0.887 -15.742 1.00 0.00 C ATOM 72 CG LYS A 687 59.516 -1.629 -15.959 1.00 0.00 C ATOM 73 CD LYS A 687 59.698 -2.691 -17.049 1.00 0.00 C ATOM 74 CE LYS A 687 58.357 -3.378 -17.325 1.00 0.00 C ATOM 75 NZ LYS A 687 57.682 -2.705 -18.471 1.00 0.00 N1+ ATOM 0 H LYS A 687 62.925 0.346 -16.217 1.00 0.00 H new ATOM 0 HA LYS A 687 60.421 0.180 -17.565 1.00 0.00 H new ATOM 0 HB2 LYS A 687 61.677 -1.530 -16.014 1.00 0.00 H new ATOM 0 HB3 LYS A 687 60.959 -0.636 -14.688 1.00 0.00 H new ATOM 0 HG2 LYS A 687 59.193 -2.098 -15.030 1.00 0.00 H new ATOM 0 HG3 LYS A 687 58.736 -0.925 -16.249 1.00 0.00 H new ATOM 0 HD2 LYS A 687 60.076 -2.230 -17.961 1.00 0.00 H new ATOM 0 HD3 LYS A 687 60.437 -3.427 -16.734 1.00 0.00 H new ATOM 0 HE2 LYS A 687 58.516 -4.432 -17.551 1.00 0.00 H new ATOM 0 HE3 LYS A 687 57.724 -3.333 -16.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 56.771 -3.170 -18.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 57.518 -1.705 -18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 58.285 -2.770 -19.316 1.00 0.00 H new ATOM 89 N LEU A 688 60.485 1.874 -14.708 1.00 0.00 N ATOM 90 CA LEU A 688 59.780 2.884 -13.918 1.00 0.00 C ATOM 91 C LEU A 688 58.477 2.323 -13.351 1.00 0.00 C ATOM 92 O LEU A 688 58.145 2.562 -12.189 1.00 0.00 O ATOM 93 CB LEU A 688 59.479 4.121 -14.777 1.00 0.00 C ATOM 94 CG LEU A 688 59.931 5.394 -14.047 1.00 0.00 C ATOM 95 CD1 LEU A 688 59.237 5.487 -12.682 1.00 0.00 C ATOM 96 CD2 LEU A 688 61.453 5.368 -13.852 1.00 0.00 C ATOM 0 H LEU A 688 61.331 1.512 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 688 60.426 3.171 -13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 688 59.992 4.041 -15.736 1.00 0.00 H new ATOM 0 HB3 LEU A 688 58.411 4.174 -14.990 1.00 0.00 H new ATOM 0 HG LEU A 688 59.660 6.263 -14.646 1.00 0.00 H new ATOM 0 HD11 LEU A 688 59.562 6.392 -12.169 1.00 0.00 H new ATOM 0 HD12 LEU A 688 58.157 5.519 -12.824 1.00 0.00 H new ATOM 0 HD13 LEU A 688 59.498 4.616 -12.081 1.00 0.00 H new ATOM 0 HD21 LEU A 688 61.769 6.273 -13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 688 61.729 4.496 -13.260 1.00 0.00 H new ATOM 0 HD23 LEU A 688 61.944 5.317 -14.824 1.00 0.00 H new ATOM 108 N VAL A 689 57.755 1.561 -14.170 1.00 0.00 N ATOM 109 CA VAL A 689 56.494 0.963 -13.738 1.00 0.00 C ATOM 110 C VAL A 689 56.717 0.054 -12.532 1.00 0.00 C ATOM 111 O VAL A 689 55.793 -0.194 -11.756 1.00 0.00 O ATOM 112 CB VAL A 689 55.875 0.151 -14.884 1.00 0.00 C ATOM 113 CG1 VAL A 689 54.382 -0.065 -14.610 1.00 0.00 C ATOM 114 CG2 VAL A 689 56.048 0.903 -16.208 1.00 0.00 C ATOM 0 H VAL A 689 58.020 1.344 -15.131 1.00 0.00 H new ATOM 0 HA VAL A 689 55.814 1.766 -13.455 1.00 0.00 H new ATOM 0 HB VAL A 689 56.377 -0.814 -14.951 1.00 0.00 H new ATOM 0 HG11 VAL A 689 53.942 -0.642 -15.424 1.00 0.00 H new ATOM 0 HG12 VAL A 689 54.259 -0.608 -13.673 1.00 0.00 H new ATOM 0 HG13 VAL A 689 53.882 0.901 -14.538 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.607 0.321 -17.017 1.00 0.00 H new ATOM 0 HG22 VAL A 689 55.551 1.871 -16.144 1.00 0.00 H new ATOM 0 HG23 VAL A 689 57.109 1.052 -16.406 1.00 0.00 H new ATOM 124 N PHE A 690 57.976 -0.314 -12.302 1.00 0.00 N ATOM 125 CA PHE A 690 58.323 -1.185 -11.184 1.00 0.00 C ATOM 126 C PHE A 690 57.822 -0.600 -9.867 1.00 0.00 C ATOM 127 O PHE A 690 56.990 -1.203 -9.188 1.00 0.00 O ATOM 128 CB PHE A 690 59.843 -1.367 -11.120 1.00 0.00 C ATOM 129 CG PHE A 690 60.169 -2.811 -10.812 1.00 0.00 C ATOM 130 CD1 PHE A 690 60.034 -3.295 -9.504 1.00 0.00 C ATOM 131 CD2 PHE A 690 60.530 -3.683 -11.846 1.00 0.00 C ATOM 132 CE1 PHE A 690 60.277 -4.645 -9.230 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.838 -5.018 -11.560 1.00 0.00 C ATOM 134 CZ PHE A 690 60.709 -5.500 -10.252 1.00 0.00 C ATOM 0 H PHE A 690 58.769 -0.023 -12.873 1.00 0.00 H new ATOM 0 HA PHE A 690 57.845 -2.152 -11.340 1.00 0.00 H new ATOM 0 HB2 PHE A 690 60.294 -1.076 -12.069 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.265 -0.717 -10.354 1.00 0.00 H new ATOM 0 HD1 PHE A 690 59.742 -2.626 -8.708 1.00 0.00 H new ATOM 0 HD2 PHE A 690 60.571 -3.326 -12.864 1.00 0.00 H new ATOM 0 HE1 PHE A 690 60.132 -5.028 -8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 690 61.175 -5.676 -12.348 1.00 0.00 H new ATOM 0 HZ PHE A 690 60.943 -6.531 -10.031 1.00 0.00 H new ATOM 144 N PHE A 691 58.205 0.647 -9.601 1.00 0.00 N ATOM 145 CA PHE A 691 57.770 1.332 -8.388 1.00 0.00 C ATOM 146 C PHE A 691 56.353 1.864 -8.552 1.00 0.00 C ATOM 147 O PHE A 691 55.510 1.668 -7.680 1.00 0.00 O ATOM 148 CB PHE A 691 58.719 2.491 -8.073 1.00 0.00 C ATOM 149 CG PHE A 691 59.775 2.028 -7.095 1.00 0.00 C ATOM 150 CD1 PHE A 691 60.923 1.379 -7.566 1.00 0.00 C ATOM 151 CD2 PHE A 691 59.523 2.085 -5.719 1.00 0.00 C ATOM 152 CE1 PHE A 691 61.868 0.881 -6.661 1.00 0.00 C ATOM 153 CE2 PHE A 691 60.462 1.579 -4.813 1.00 0.00 C ATOM 154 CZ PHE A 691 61.645 0.997 -5.284 1.00 0.00 C ATOM 0 H PHE A 691 58.812 1.200 -10.206 1.00 0.00 H new ATOM 0 HA PHE A 691 57.784 0.617 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 691 59.189 2.849 -8.989 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.161 3.328 -7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 691 61.080 1.263 -8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 691 58.603 2.520 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 691 62.768 0.408 -7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 691 60.274 1.637 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 691 62.386 0.638 -4.585 1.00 0.00 H new ATOM 164 N ALA A 692 56.046 2.350 -9.749 1.00 0.00 N ATOM 165 CA ALA A 692 54.739 2.943 -10.012 1.00 0.00 C ATOM 166 C ALA A 692 53.631 1.898 -9.864 1.00 0.00 C ATOM 167 O ALA A 692 52.479 2.241 -9.598 1.00 0.00 O ATOM 168 CB ALA A 692 54.710 3.525 -11.427 1.00 0.00 C ATOM 0 H ALA A 692 56.679 2.346 -10.549 1.00 0.00 H new ATOM 0 HA ALA A 692 54.568 3.738 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 692 53.732 3.967 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.479 4.292 -11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.898 2.732 -12.151 1.00 0.00 H new ATOM 174 N GLU A 693 54.028 0.627 -9.858 1.00 0.00 N ATOM 175 CA GLU A 693 53.085 -0.464 -9.627 1.00 0.00 C ATOM 176 C GLU A 693 52.681 -0.528 -8.155 1.00 0.00 C ATOM 177 O GLU A 693 51.563 -0.923 -7.825 1.00 0.00 O ATOM 178 CB GLU A 693 53.720 -1.795 -10.048 1.00 0.00 C ATOM 179 CG GLU A 693 52.744 -2.948 -9.784 1.00 0.00 C ATOM 180 CD GLU A 693 53.152 -3.702 -8.517 1.00 0.00 C ATOM 181 OE1 GLU A 693 54.151 -4.400 -8.565 1.00 0.00 O ATOM 182 OE2 GLU A 693 52.503 -3.510 -7.502 1.00 0.00 O1- ATOM 0 H GLU A 693 54.992 0.329 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 693 52.191 -0.281 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 693 53.982 -1.764 -11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 693 54.645 -1.957 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 693 51.731 -2.560 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 693 52.735 -3.629 -10.635 1.00 0.00 H new ATOM 189 N ASP A 694 53.591 -0.110 -7.278 1.00 0.00 N ATOM 190 CA ASP A 694 53.342 -0.170 -5.842 1.00 0.00 C ATOM 191 C ASP A 694 52.172 0.738 -5.453 1.00 0.00 C ATOM 192 O ASP A 694 51.743 0.740 -4.299 1.00 0.00 O ATOM 193 CB ASP A 694 54.614 0.237 -5.078 1.00 0.00 C ATOM 194 CG ASP A 694 54.552 1.708 -4.657 1.00 0.00 C ATOM 195 OD1 ASP A 694 54.001 1.973 -3.602 1.00 0.00 O ATOM 196 OD2 ASP A 694 55.230 2.507 -5.279 1.00 0.00 O1- ATOM 0 H ASP A 694 54.501 0.271 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 694 53.076 -1.193 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 694 54.731 -0.393 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 694 55.489 0.071 -5.706 1.00 0.00 H new ATOM 201 N VAL A 695 51.806 1.641 -6.362 1.00 0.00 N ATOM 202 CA VAL A 695 50.649 2.510 -6.156 1.00 0.00 C ATOM 203 C VAL A 695 49.371 1.685 -6.011 1.00 0.00 C ATOM 204 O VAL A 695 48.602 1.876 -5.069 1.00 0.00 O ATOM 205 CB VAL A 695 50.507 3.478 -7.338 1.00 0.00 C ATOM 206 CG1 VAL A 695 49.259 4.348 -7.142 1.00 0.00 C ATOM 207 CG2 VAL A 695 51.743 4.382 -7.417 1.00 0.00 C ATOM 0 H VAL A 695 52.293 1.789 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 695 50.803 3.076 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 695 50.414 2.905 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 695 49.159 5.035 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 695 48.376 3.711 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 695 49.354 4.917 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 695 51.639 5.068 -8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 695 51.837 4.952 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 695 52.634 3.769 -7.557 1.00 0.00 H new ATOM 217 N GLY A 696 49.205 0.701 -6.894 1.00 0.00 N ATOM 218 CA GLY A 696 47.996 -0.121 -6.898 1.00 0.00 C ATOM 219 C GLY A 696 46.804 0.658 -7.452 1.00 0.00 C ATOM 220 O GLY A 696 46.975 1.603 -8.221 1.00 0.00 O ATOM 0 H GLY A 696 49.887 0.455 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 696 48.162 -1.015 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.776 -0.456 -5.884 1.00 0.00 H new ATOM 224 N SER A 697 45.597 0.238 -7.072 1.00 0.00 N ATOM 225 CA SER A 697 44.385 0.683 -7.757 1.00 0.00 C ATOM 226 C SER A 697 43.145 0.293 -6.949 1.00 0.00 C ATOM 227 O SER A 697 42.993 0.711 -5.801 1.00 0.00 O ATOM 228 CB SER A 697 44.320 0.069 -9.160 1.00 0.00 C ATOM 229 OG SER A 697 43.197 0.593 -9.855 1.00 0.00 O ATOM 0 H SER A 697 45.434 -0.406 -6.298 1.00 0.00 H new ATOM 0 HA SER A 697 44.411 1.769 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 697 45.236 0.290 -9.708 1.00 0.00 H new ATOM 0 HB3 SER A 697 44.244 -1.016 -9.091 1.00 0.00 H new ATOM 0 HG SER A 697 43.156 0.202 -10.753 1.00 0.00 H new ATOM 235 N ASN A 698 42.357 -0.636 -7.490 1.00 0.00 N ATOM 236 CA ASN A 698 41.077 -0.993 -6.884 1.00 0.00 C ATOM 237 C ASN A 698 41.289 -1.958 -5.720 1.00 0.00 C ATOM 238 O ASN A 698 42.388 -2.047 -5.170 1.00 0.00 O ATOM 239 CB ASN A 698 40.165 -1.639 -7.932 1.00 0.00 C ATOM 240 CG ASN A 698 40.319 -0.924 -9.272 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.804 0.180 -9.450 1.00 0.00 O ATOM 242 ND2 ASN A 698 41.044 -1.466 -10.211 1.00 0.00 N ATOM 0 H ASN A 698 42.581 -1.151 -8.341 1.00 0.00 H new ATOM 0 HA ASN A 698 40.606 -0.085 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.415 -2.694 -8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.127 -1.591 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 698 41.185 -0.975 -11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 698 41.470 -2.381 -10.062 1.00 0.00 H new ATOM 249 N LYS A 699 40.222 -2.644 -5.317 1.00 0.00 N ATOM 250 CA LYS A 699 40.321 -3.639 -4.255 1.00 0.00 C ATOM 251 C LYS A 699 41.271 -4.765 -4.656 1.00 0.00 C ATOM 252 O LYS A 699 42.230 -5.048 -3.944 1.00 0.00 O ATOM 253 CB LYS A 699 38.937 -4.216 -3.943 1.00 0.00 C ATOM 254 CG LYS A 699 38.369 -4.908 -5.187 1.00 0.00 C ATOM 255 CD LYS A 699 36.847 -5.011 -5.060 1.00 0.00 C ATOM 256 CE LYS A 699 36.307 -6.011 -6.088 1.00 0.00 C ATOM 257 NZ LYS A 699 36.711 -5.587 -7.458 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.286 -2.530 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 699 40.716 -3.150 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.007 -4.927 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 699 38.266 -3.420 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 699 38.633 -4.345 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.804 -5.902 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 699 36.578 -5.329 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 699 36.393 -4.033 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 699 36.692 -7.009 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 699 35.221 -6.068 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 36.135 -6.091 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 36.565 -4.562 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 37.715 -5.811 -7.609 1.00 0.00 H new ATOM 271 N GLY A 700 41.150 -5.208 -5.905 1.00 0.00 N ATOM 272 CA GLY A 700 41.941 -6.334 -6.390 1.00 0.00 C ATOM 273 C GLY A 700 43.422 -5.973 -6.462 1.00 0.00 C ATOM 274 O GLY A 700 44.282 -6.854 -6.508 1.00 0.00 O ATOM 0 H GLY A 700 40.515 -4.807 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.804 -7.190 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.588 -6.633 -7.377 1.00 0.00 H new ATOM 278 N ALA A 701 43.712 -4.682 -6.315 1.00 0.00 N ATOM 279 CA ALA A 701 45.091 -4.208 -6.330 1.00 0.00 C ATOM 280 C ALA A 701 45.845 -4.688 -5.093 1.00 0.00 C ATOM 281 O ALA A 701 47.071 -4.793 -5.113 1.00 0.00 O ATOM 282 CB ALA A 701 45.114 -2.679 -6.382 1.00 0.00 C ATOM 0 H ALA A 701 43.014 -3.950 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 701 45.582 -4.613 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.147 -2.331 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.606 -2.338 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.605 -2.277 -5.506 1.00 0.00 H new ATOM 288 N ILE A 702 45.101 -5.096 -4.064 1.00 0.00 N ATOM 289 CA ILE A 702 45.715 -5.564 -2.822 1.00 0.00 C ATOM 290 C ILE A 702 46.640 -6.745 -3.096 1.00 0.00 C ATOM 291 O ILE A 702 47.681 -6.886 -2.459 1.00 0.00 O ATOM 292 CB ILE A 702 44.638 -5.985 -1.813 1.00 0.00 C ATOM 293 CG1 ILE A 702 43.828 -7.166 -2.374 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.711 -4.796 -1.531 1.00 0.00 C ATOM 295 CD1 ILE A 702 42.785 -7.621 -1.347 1.00 0.00 C ATOM 0 H ILE A 702 44.081 -5.112 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 702 46.296 -4.742 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 702 45.114 -6.297 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.334 -6.872 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.496 -7.993 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 702 42.945 -5.093 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.292 -3.971 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 702 43.236 -4.477 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.216 -8.458 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.288 -7.934 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 702 42.108 -6.796 -1.125 1.00 0.00 H new ATOM 307 N ILE A 703 46.328 -7.491 -4.151 1.00 0.00 N ATOM 308 CA ILE A 703 47.127 -8.652 -4.520 1.00 0.00 C ATOM 309 C ILE A 703 48.485 -8.211 -5.062 1.00 0.00 C ATOM 310 O ILE A 703 49.525 -8.625 -4.548 1.00 0.00 O ATOM 311 CB ILE A 703 46.389 -9.476 -5.581 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.972 -9.798 -5.086 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.153 -10.778 -5.838 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.176 -10.484 -6.200 1.00 0.00 C ATOM 0 H ILE A 703 45.531 -7.313 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 703 47.284 -9.265 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 703 46.326 -8.905 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.021 -10.445 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.468 -8.882 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.629 -11.365 -6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.158 -10.547 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.217 -11.351 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.171 -10.710 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.114 -9.822 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.676 -11.409 -6.488 1.00 0.00 H new ATOM 326 N GLY A 704 48.460 -7.192 -5.918 1.00 0.00 N ATOM 327 CA GLY A 704 49.686 -6.659 -6.502 1.00 0.00 C ATOM 328 C GLY A 704 50.454 -5.821 -5.487 1.00 0.00 C ATOM 329 O GLY A 704 51.682 -5.739 -5.537 1.00 0.00 O ATOM 0 H GLY A 704 47.607 -6.721 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.313 -7.479 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.444 -6.050 -7.373 1.00 0.00 H new ATOM 333 N LEU A 705 49.716 -5.114 -4.639 1.00 0.00 N ATOM 334 CA LEU A 705 50.332 -4.326 -3.578 1.00 0.00 C ATOM 335 C LEU A 705 50.910 -5.232 -2.492 1.00 0.00 C ATOM 336 O LEU A 705 51.996 -4.969 -1.977 1.00 0.00 O ATOM 337 CB LEU A 705 49.294 -3.384 -2.959 1.00 0.00 C ATOM 338 CG LEU A 705 48.854 -2.335 -3.988 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.754 -1.468 -3.367 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.043 -1.452 -4.380 1.00 0.00 C ATOM 0 H LEU A 705 48.697 -5.070 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 705 51.143 -3.743 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.430 -3.955 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.716 -2.891 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 705 48.478 -2.834 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.432 -0.717 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.906 -2.096 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.140 -0.973 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.720 -0.711 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.427 -0.945 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.828 -2.071 -4.814 1.00 0.00 H new ATOM 352 N MET A 706 50.238 -6.355 -2.237 1.00 0.00 N ATOM 353 CA MET A 706 50.680 -7.285 -1.198 1.00 0.00 C ATOM 354 C MET A 706 52.053 -7.851 -1.541 1.00 0.00 C ATOM 355 O MET A 706 53.019 -7.645 -0.807 1.00 0.00 O ATOM 356 CB MET A 706 49.668 -8.432 -1.052 1.00 0.00 C ATOM 357 CG MET A 706 50.260 -9.554 -0.190 1.00 0.00 C ATOM 358 SD MET A 706 51.028 -8.851 1.293 1.00 0.00 S ATOM 359 CE MET A 706 49.754 -9.353 2.478 1.00 0.00 C ATOM 0 H MET A 706 49.393 -6.641 -2.731 1.00 0.00 H new ATOM 0 HA MET A 706 50.747 -6.744 -0.254 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.749 -8.061 -0.598 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.403 -8.820 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.478 -10.258 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.000 -10.113 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 706 50.032 -9.015 3.476 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.800 -8.908 2.197 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.663 -10.439 2.476 1.00 0.00 H new ATOM 369 N VAL A 707 52.160 -8.440 -2.730 1.00 0.00 N ATOM 370 CA VAL A 707 53.408 -9.068 -3.151 1.00 0.00 C ATOM 371 C VAL A 707 54.443 -8.008 -3.511 1.00 0.00 C ATOM 372 O VAL A 707 55.589 -8.074 -3.062 1.00 0.00 O ATOM 373 CB VAL A 707 53.157 -9.980 -4.360 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.650 -9.147 -5.544 1.00 0.00 C ATOM 375 CG2 VAL A 707 54.461 -10.685 -4.753 1.00 0.00 C ATOM 0 H VAL A 707 51.404 -8.495 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 707 53.790 -9.666 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 707 52.406 -10.725 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.474 -9.800 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 707 51.719 -8.651 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 707 53.396 -8.397 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 707 54.280 -11.332 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 707 55.214 -9.940 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.817 -11.285 -3.915 1.00 0.00 H new ATOM 385 N GLY A 708 53.976 -6.939 -4.148 1.00 0.00 N ATOM 386 CA GLY A 708 54.860 -5.858 -4.564 1.00 0.00 C ATOM 387 C GLY A 708 55.266 -4.995 -3.373 1.00 0.00 C ATOM 388 O GLY A 708 56.159 -4.155 -3.483 1.00 0.00 O ATOM 0 H GLY A 708 52.994 -6.799 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.750 -6.273 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.360 -5.241 -5.311 1.00 0.00 H new ATOM 392 N GLY A 709 54.673 -5.276 -2.216 1.00 0.00 N ATOM 393 CA GLY A 709 55.046 -4.587 -0.985 1.00 0.00 C ATOM 394 C GLY A 709 56.299 -5.203 -0.373 1.00 0.00 C ATOM 395 O GLY A 709 56.638 -4.922 0.776 1.00 0.00 O ATOM 0 H GLY A 709 53.936 -5.972 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.220 -3.531 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.224 -4.640 -0.271 1.00 0.00 H new ATOM 399 N VAL A 710 57.026 -5.980 -1.174 1.00 0.00 N ATOM 400 CA VAL A 710 58.256 -6.612 -0.708 1.00 0.00 C ATOM 401 C VAL A 710 59.340 -5.565 -0.464 1.00 0.00 C ATOM 402 O VAL A 710 60.023 -5.592 0.559 1.00 0.00 O ATOM 403 CB VAL A 710 58.743 -7.637 -1.741 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.002 -6.942 -3.085 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.040 -8.287 -1.243 1.00 0.00 C ATOM 0 H VAL A 710 56.785 -6.186 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 710 58.048 -7.121 0.233 1.00 0.00 H new ATOM 0 HB VAL A 710 57.978 -8.402 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.347 -7.676 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.080 -6.484 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.763 -6.173 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.387 -9.015 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.802 -7.520 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.854 -8.788 -0.293 1.00 0.00 H new ATOM 415 N VAL A 711 59.424 -4.590 -1.367 1.00 0.00 N ATOM 416 CA VAL A 711 60.441 -3.551 -1.265 1.00 0.00 C ATOM 417 C VAL A 711 60.070 -2.544 -0.179 1.00 0.00 C ATOM 418 O VAL A 711 60.896 -2.203 0.666 1.00 0.00 O ATOM 419 CB VAL A 711 60.596 -2.833 -2.612 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.257 -2.212 -3.030 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.656 -1.732 -2.489 1.00 0.00 C ATOM 0 H VAL A 711 58.804 -4.500 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 711 61.389 -4.019 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 711 60.907 -3.554 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.375 -1.704 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 711 58.506 -2.996 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 711 58.938 -1.494 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.765 -1.223 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.348 -1.014 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.610 -2.176 -2.203 1.00 0.00 H new ATOM 431 N ILE A 712 58.781 -2.232 -0.093 1.00 0.00 N ATOM 432 CA ILE A 712 58.295 -1.286 0.905 1.00 0.00 C ATOM 433 C ILE A 712 58.256 -1.938 2.286 1.00 0.00 C ATOM 434 O ILE A 712 58.465 -1.271 3.300 1.00 0.00 O ATOM 435 CB ILE A 712 56.894 -0.796 0.514 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.021 0.269 -0.582 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.191 -0.191 1.736 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.813 0.195 -1.520 1.00 0.00 C ATOM 0 H ILE A 712 58.057 -2.618 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 712 58.976 -0.435 0.944 1.00 0.00 H new ATOM 0 HB ILE A 712 56.307 -1.637 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.084 1.260 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.941 0.115 -1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.197 0.154 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.102 -0.947 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.774 0.650 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.908 0.954 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.770 -0.792 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.900 0.371 -0.952 1.00 0.00 H new ATOM 450 N ALA A 713 58.113 -3.262 2.308 1.00 0.00 N ATOM 451 CA ALA A 713 58.142 -4.005 3.563 1.00 0.00 C ATOM 452 C ALA A 713 59.458 -3.766 4.295 1.00 0.00 C ATOM 453 O ALA A 713 59.463 -3.189 5.381 1.00 0.00 O ATOM 454 CB ALA A 713 57.970 -5.502 3.293 1.00 0.00 C ATOM 0 H ALA A 713 57.977 -3.837 1.477 1.00 0.00 H new ATOM 0 HA ALA A 713 57.321 -3.655 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.993 -6.047 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.015 -5.675 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.780 -5.852 2.652 1.00 0.00 H new ATOM 460 N THR A 714 60.560 -3.947 3.572 1.00 0.00 N ATOM 461 CA THR A 714 61.887 -3.809 4.167 1.00 0.00 C ATOM 462 C THR A 714 62.115 -2.379 4.642 1.00 0.00 C ATOM 463 O THR A 714 62.598 -2.161 5.752 1.00 0.00 O ATOM 464 CB THR A 714 62.963 -4.185 3.144 1.00 0.00 C ATOM 465 OG1 THR A 714 62.860 -3.333 2.012 1.00 0.00 O ATOM 466 CG2 THR A 714 62.773 -5.640 2.707 1.00 0.00 C ATOM 0 H THR A 714 60.562 -4.188 2.581 1.00 0.00 H new ATOM 0 HA THR A 714 61.950 -4.480 5.024 1.00 0.00 H new ATOM 0 HB THR A 714 63.947 -4.070 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.935 -3.025 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.540 -5.904 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.855 -6.294 3.575 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.788 -5.759 2.255 1.00 0.00 H new ATOM 474 N VAL A 715 61.560 -1.428 3.899 1.00 0.00 N ATOM 475 CA VAL A 715 61.702 -0.018 4.241 1.00 0.00 C ATOM 476 C VAL A 715 60.967 0.291 5.542 1.00 0.00 C ATOM 477 O VAL A 715 61.584 0.717 6.519 1.00 0.00 O ATOM 478 CB VAL A 715 61.139 0.849 3.109 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.244 2.330 3.490 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.936 0.592 1.826 1.00 0.00 C ATOM 0 H VAL A 715 61.010 -1.607 3.059 1.00 0.00 H new ATOM 0 HA VAL A 715 62.760 0.205 4.376 1.00 0.00 H new ATOM 0 HB VAL A 715 60.092 0.594 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.843 2.943 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.675 2.512 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.289 2.589 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.537 1.208 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.983 0.845 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.856 -0.460 1.552 1.00 0.00 H new ATOM 490 N ILE A 716 59.722 -0.171 5.622 1.00 0.00 N ATOM 491 CA ILE A 716 58.912 0.041 6.817 1.00 0.00 C ATOM 492 C ILE A 716 59.454 -0.783 7.982 1.00 0.00 C ATOM 493 O ILE A 716 59.602 -0.273 9.093 1.00 0.00 O ATOM 494 CB ILE A 716 57.456 -0.350 6.532 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.807 0.727 5.655 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.684 -0.474 7.851 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.471 0.217 5.111 1.00 0.00 C ATOM 0 H ILE A 716 59.255 -0.691 4.879 1.00 0.00 H new ATOM 0 HA ILE A 716 58.956 1.096 7.088 1.00 0.00 H new ATOM 0 HB ILE A 716 57.432 -1.309 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.650 1.636 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.471 0.986 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.651 -0.752 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.147 -1.240 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.704 0.481 8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.014 0.986 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.639 -0.680 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.806 -0.019 5.942 1.00 0.00 H new ATOM 509 N VAL A 717 59.931 -1.986 7.671 1.00 0.00 N ATOM 510 CA VAL A 717 60.411 -2.899 8.702 1.00 0.00 C ATOM 511 C VAL A 717 61.718 -2.388 9.298 1.00 0.00 C ATOM 512 O VAL A 717 61.886 -2.364 10.518 1.00 0.00 O ATOM 513 CB VAL A 717 60.628 -4.294 8.102 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.332 -5.192 9.125 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.273 -4.907 7.731 1.00 0.00 C ATOM 0 H VAL A 717 59.995 -2.348 6.720 1.00 0.00 H new ATOM 0 HA VAL A 717 59.663 -2.957 9.492 1.00 0.00 H new ATOM 0 HB VAL A 717 61.247 -4.210 7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.485 -6.182 8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.297 -4.758 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.716 -5.276 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.427 -5.898 7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.654 -4.988 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.774 -4.271 7.000 1.00 0.00 H new ATOM 525 N ILE A 718 62.619 -1.936 8.432 1.00 0.00 N ATOM 526 CA ILE A 718 63.887 -1.375 8.882 1.00 0.00 C ATOM 527 C ILE A 718 63.647 -0.173 9.791 1.00 0.00 C ATOM 528 O ILE A 718 64.247 -0.068 10.861 1.00 0.00 O ATOM 529 CB ILE A 718 64.730 -0.952 7.671 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.314 -2.201 6.998 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.871 -0.034 8.129 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.773 -1.857 5.577 1.00 0.00 C ATOM 0 H ILE A 718 62.495 -1.947 7.420 1.00 0.00 H new ATOM 0 HA ILE A 718 64.424 -2.137 9.446 1.00 0.00 H new ATOM 0 HB ILE A 718 64.101 -0.415 6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.154 -2.580 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.565 -2.992 6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.467 0.264 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.455 0.853 8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.503 -0.566 8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.187 -2.747 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.923 -1.499 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.536 -1.080 5.619 1.00 0.00 H new ATOM 544 N THR A 719 62.642 0.628 9.446 1.00 0.00 N ATOM 545 CA THR A 719 62.288 1.788 10.255 1.00 0.00 C ATOM 546 C THR A 719 61.711 1.350 11.598 1.00 0.00 C ATOM 547 O THR A 719 62.026 1.932 12.636 1.00 0.00 O ATOM 548 CB THR A 719 61.262 2.649 9.513 1.00 0.00 C ATOM 549 OG1 THR A 719 61.717 2.892 8.191 1.00 0.00 O ATOM 550 CG2 THR A 719 61.086 3.983 10.245 1.00 0.00 C ATOM 0 H THR A 719 62.063 0.495 8.617 1.00 0.00 H new ATOM 0 HA THR A 719 63.191 2.372 10.434 1.00 0.00 H new ATOM 0 HB THR A 719 60.307 2.126 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.507 2.119 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.355 4.595 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.736 3.797 11.261 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.041 4.507 10.280 1.00 0.00 H new ATOM 558 N LEU A 720 61.013 0.217 11.587 1.00 0.00 N ATOM 559 CA LEU A 720 60.397 -0.304 12.801 1.00 0.00 C ATOM 560 C LEU A 720 61.461 -0.660 13.832 1.00 0.00 C ATOM 561 O LEU A 720 61.298 -0.377 15.018 1.00 0.00 O ATOM 562 CB LEU A 720 59.567 -1.547 12.473 1.00 0.00 C ATOM 563 CG LEU A 720 58.641 -1.872 13.651 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.208 -1.455 13.308 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.683 -3.377 13.937 1.00 0.00 C ATOM 0 H LEU A 720 60.861 -0.354 10.755 1.00 0.00 H new ATOM 0 HA LEU A 720 59.749 0.468 13.216 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.979 -1.377 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.224 -2.392 12.270 1.00 0.00 H new ATOM 0 HG LEU A 720 58.975 -1.327 14.534 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.551 -1.687 14.146 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.179 -0.384 13.109 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.873 -1.997 12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 720 58.024 -3.607 14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.352 -3.924 13.054 1.00 0.00 H new ATOM 0 HD23 LEU A 720 59.702 -3.672 14.186 1.00 0.00 H new ATOM 577 N VAL A 721 62.625 -1.091 13.347 1.00 0.00 N ATOM 578 CA VAL A 721 63.719 -1.478 14.232 1.00 0.00 C ATOM 579 C VAL A 721 64.117 -0.309 15.133 1.00 0.00 C ATOM 580 O VAL A 721 64.202 -0.460 16.351 1.00 0.00 O ATOM 581 CB VAL A 721 64.932 -1.926 13.407 1.00 0.00 C ATOM 582 CG1 VAL A 721 66.095 -2.264 14.346 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.567 -3.165 12.583 1.00 0.00 C ATOM 0 H VAL A 721 62.833 -1.180 12.352 1.00 0.00 H new ATOM 0 HA VAL A 721 63.381 -2.306 14.855 1.00 0.00 H new ATOM 0 HB VAL A 721 65.228 -1.119 12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.956 -2.582 13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.360 -1.382 14.930 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.798 -3.068 15.019 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.431 -3.480 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.268 -3.972 13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.742 -2.926 11.912 1.00 0.00 H new ATOM 593 N MET A 722 64.158 0.887 14.550 1.00 0.00 N ATOM 594 CA MET A 722 64.540 2.081 15.296 1.00 0.00 C ATOM 595 C MET A 722 63.385 2.555 16.176 1.00 0.00 C ATOM 596 O MET A 722 63.597 2.951 17.322 1.00 0.00 O ATOM 597 CB MET A 722 64.941 3.197 14.327 1.00 0.00 C ATOM 598 CG MET A 722 66.321 2.894 13.731 1.00 0.00 C ATOM 599 SD MET A 722 66.683 4.091 12.421 1.00 0.00 S ATOM 600 CE MET A 722 68.284 3.411 11.914 1.00 0.00 C ATOM 0 H MET A 722 63.933 1.054 13.569 1.00 0.00 H new ATOM 0 HA MET A 722 65.389 1.833 15.934 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.202 3.283 13.531 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.962 4.154 14.848 1.00 0.00 H new ATOM 0 HG2 MET A 722 67.084 2.945 14.507 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.342 1.881 13.330 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.693 4.010 11.101 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.972 3.430 12.760 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.152 2.383 11.576 1.00 0.00 H new ATOM 610 N LEU A 723 62.161 2.316 15.710 1.00 0.00 N ATOM 611 CA LEU A 723 60.974 2.685 16.476 1.00 0.00 C ATOM 612 C LEU A 723 60.658 1.626 17.534 1.00 0.00 C ATOM 613 O LEU A 723 59.954 1.908 18.505 1.00 0.00 O ATOM 614 CB LEU A 723 59.770 2.845 15.538 1.00 0.00 C ATOM 615 CG LEU A 723 60.039 3.957 14.516 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.907 3.968 13.486 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.093 5.319 15.219 1.00 0.00 C ATOM 0 H LEU A 723 61.966 1.872 14.813 1.00 0.00 H new ATOM 0 HA LEU A 723 61.175 3.632 16.977 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.575 1.905 15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.877 3.081 16.117 1.00 0.00 H new ATOM 0 HG LEU A 723 60.995 3.772 14.025 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.088 4.755 12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.867 3.004 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.958 4.153 13.990 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.284 6.101 14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.141 5.511 15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.892 5.314 15.960 1.00 0.00 H new ATOM 629 N LYS A 724 61.310 0.467 17.425 1.00 0.00 N ATOM 630 CA LYS A 724 61.037 -0.653 18.327 1.00 0.00 C ATOM 631 C LYS A 724 62.212 -0.871 19.279 1.00 0.00 C ATOM 632 O LYS A 724 63.371 -0.746 18.885 1.00 0.00 O ATOM 633 CB LYS A 724 60.790 -1.934 17.517 1.00 0.00 C ATOM 634 CG LYS A 724 60.143 -2.999 18.412 1.00 0.00 C ATOM 635 CD LYS A 724 58.623 -2.967 18.224 1.00 0.00 C ATOM 636 CE LYS A 724 57.939 -3.648 19.412 1.00 0.00 C ATOM 637 NZ LYS A 724 56.500 -3.863 19.094 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.027 0.280 16.725 1.00 0.00 H new ATOM 0 HA LYS A 724 60.147 -0.416 18.910 1.00 0.00 H new ATOM 0 HB2 LYS A 724 60.143 -1.718 16.667 1.00 0.00 H new ATOM 0 HB3 LYS A 724 61.731 -2.308 17.114 1.00 0.00 H new ATOM 0 HG2 LYS A 724 60.531 -3.986 18.160 1.00 0.00 H new ATOM 0 HG3 LYS A 724 60.395 -2.814 19.456 1.00 0.00 H new ATOM 0 HD2 LYS A 724 58.280 -1.936 18.137 1.00 0.00 H new ATOM 0 HD3 LYS A 724 58.351 -3.473 17.297 1.00 0.00 H new ATOM 0 HE2 LYS A 724 58.422 -4.601 19.627 1.00 0.00 H new ATOM 0 HE3 LYS A 724 58.038 -3.032 20.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 56.032 -4.326 19.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 56.045 -2.946 18.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 56.417 -4.467 18.252 1.00 0.00 H new ATOM 651 N LYS A 725 61.904 -1.253 20.516 1.00 0.00 N ATOM 652 CA LYS A 725 62.939 -1.450 21.524 1.00 0.00 C ATOM 653 C LYS A 725 63.673 -2.766 21.288 1.00 0.00 C ATOM 654 O LYS A 725 64.830 -2.765 20.864 1.00 0.00 O ATOM 655 CB LYS A 725 62.314 -1.453 22.922 1.00 0.00 C ATOM 656 CG LYS A 725 61.724 -0.072 23.222 1.00 0.00 C ATOM 657 CD LYS A 725 61.143 -0.061 24.640 1.00 0.00 C ATOM 658 CE LYS A 725 60.127 1.077 24.775 1.00 0.00 C ATOM 659 NZ LYS A 725 60.719 2.346 24.262 1.00 0.00 N1+ ATOM 0 H LYS A 725 60.954 -1.431 20.841 1.00 0.00 H new ATOM 0 HA LYS A 725 63.654 -0.631 21.449 1.00 0.00 H new ATOM 0 HB2 LYS A 725 61.535 -2.213 22.982 1.00 0.00 H new ATOM 0 HB3 LYS A 725 63.067 -1.708 23.668 1.00 0.00 H new ATOM 0 HG2 LYS A 725 62.495 0.693 23.128 1.00 0.00 H new ATOM 0 HG3 LYS A 725 60.946 0.168 22.497 1.00 0.00 H new ATOM 0 HD2 LYS A 725 60.664 -1.016 24.854 1.00 0.00 H new ATOM 0 HD3 LYS A 725 61.943 0.065 25.370 1.00 0.00 H new ATOM 0 HE2 LYS A 725 59.221 0.836 24.218 1.00 0.00 H new ATOM 0 HE3 LYS A 725 59.837 1.196 25.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 60.173 3.154 24.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 61.705 2.424 24.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 60.693 2.346 23.222 1.00 0.00 H new ATOM 673 N LYS A 726 62.919 -3.862 21.315 1.00 0.00 N ATOM 674 CA LYS A 726 63.496 -5.185 21.107 1.00 0.00 C ATOM 675 C LYS A 726 63.897 -5.374 19.648 1.00 0.00 C ATOM 676 O LYS A 726 63.419 -4.658 18.767 1.00 0.00 O ATOM 677 CB LYS A 726 62.483 -6.264 21.503 1.00 0.00 C ATOM 678 CG LYS A 726 63.089 -7.167 22.583 1.00 0.00 C ATOM 679 CD LYS A 726 62.105 -8.289 22.921 1.00 0.00 C ATOM 680 CE LYS A 726 62.350 -8.775 24.351 1.00 0.00 C ATOM 681 NZ LYS A 726 61.396 -9.874 24.670 1.00 0.00 N1+ ATOM 0 H LYS A 726 61.912 -3.860 21.478 1.00 0.00 H new ATOM 0 HA LYS A 726 64.386 -5.274 21.730 1.00 0.00 H new ATOM 0 HB2 LYS A 726 61.569 -5.800 21.873 1.00 0.00 H new ATOM 0 HB3 LYS A 726 62.209 -6.857 20.631 1.00 0.00 H new ATOM 0 HG2 LYS A 726 64.031 -7.588 22.233 1.00 0.00 H new ATOM 0 HG3 LYS A 726 63.313 -6.584 23.476 1.00 0.00 H new ATOM 0 HD2 LYS A 726 61.081 -7.931 22.819 1.00 0.00 H new ATOM 0 HD3 LYS A 726 62.225 -9.115 22.220 1.00 0.00 H new ATOM 0 HE2 LYS A 726 63.376 -9.127 24.456 1.00 0.00 H new ATOM 0 HE3 LYS A 726 62.222 -7.952 25.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 61.561 -10.206 25.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 60.421 -9.523 24.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 61.539 -10.662 24.006 1.00 0.00 H new ATOM 695 N GLN A 727 64.643 -6.443 19.388 1.00 0.00 N ATOM 696 CA GLN A 727 65.100 -6.740 18.035 1.00 0.00 C ATOM 697 C GLN A 727 64.070 -7.597 17.303 1.00 0.00 C ATOM 698 O GLN A 727 62.867 -7.344 17.396 1.00 0.00 O ATOM 699 CB GLN A 727 66.445 -7.474 18.091 1.00 0.00 C ATOM 700 CG GLN A 727 67.439 -6.669 18.935 1.00 0.00 C ATOM 701 CD GLN A 727 67.376 -7.119 20.392 1.00 0.00 C ATOM 702 OE1 GLN A 727 66.756 -6.454 21.221 1.00 0.00 O ATOM 703 NE2 GLN A 727 67.997 -8.207 20.756 1.00 0.00 N ATOM 0 H GLN A 727 64.943 -7.116 20.093 1.00 0.00 H new ATOM 0 HA GLN A 727 65.224 -5.803 17.492 1.00 0.00 H new ATOM 0 HB2 GLN A 727 66.310 -8.467 18.519 1.00 0.00 H new ATOM 0 HB3 GLN A 727 66.837 -7.612 17.083 1.00 0.00 H new ATOM 0 HG2 GLN A 727 68.449 -6.804 18.548 1.00 0.00 H new ATOM 0 HG3 GLN A 727 67.210 -5.606 18.865 1.00 0.00 H new ATOM 0 HE21 GLN A 727 68.510 -8.756 20.067 1.00 0.00 H new ATOM 0 HE22 GLN A 727 67.969 -8.508 21.730 1.00 0.00 H new ATOM 712 N TYR A 728 64.554 -8.519 16.473 1.00 0.00 N ATOM 713 CA TYR A 728 63.677 -9.440 15.755 1.00 0.00 C ATOM 714 C TYR A 728 62.689 -8.670 14.881 1.00 0.00 C ATOM 715 O TYR A 728 62.576 -8.924 13.683 1.00 0.00 O ATOM 716 CB TYR A 728 62.908 -10.320 16.747 1.00 0.00 C ATOM 717 CG TYR A 728 63.881 -11.177 17.525 1.00 0.00 C ATOM 718 CD1 TYR A 728 64.241 -12.442 17.045 1.00 0.00 C ATOM 719 CD2 TYR A 728 64.424 -10.706 18.728 1.00 0.00 C ATOM 720 CE1 TYR A 728 65.137 -13.236 17.769 1.00 0.00 C ATOM 721 CE2 TYR A 728 65.381 -11.467 19.409 1.00 0.00 C ATOM 722 CZ TYR A 728 65.701 -12.753 18.956 1.00 0.00 C ATOM 723 OH TYR A 728 66.576 -13.540 19.675 1.00 0.00 O ATOM 0 H TYR A 728 65.548 -8.648 16.282 1.00 0.00 H new ATOM 0 HA TYR A 728 64.295 -10.072 15.117 1.00 0.00 H new ATOM 0 HB2 TYR A 728 62.330 -9.697 17.430 1.00 0.00 H new ATOM 0 HB3 TYR A 728 62.198 -10.952 16.214 1.00 0.00 H new ATOM 0 HD1 TYR A 728 63.827 -12.805 16.116 1.00 0.00 H new ATOM 0 HD2 TYR A 728 64.104 -9.756 19.130 1.00 0.00 H new ATOM 0 HE1 TYR A 728 65.394 -14.222 17.412 1.00 0.00 H new ATOM 0 HE2 TYR A 728 65.872 -11.063 20.282 1.00 0.00 H new ATOM 0 HH TYR A 728 66.875 -13.053 20.471 1.00 0.00 H new TER 733 TYR A 728