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= -0.1 X(o=-0.1,f=0) USER MOD Single : A 685 HIS : no HD1:sc= -0.0634 K(o=-0.063,f=-0.77) USER MOD Single : A 686 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 687 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.294) USER MOD Single : A 697 SER OG : rot -37:sc= 1.42 USER MOD Single : A 698 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.68) 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 180:sc= 0.0278 USER MOD Single : A 719 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 722 MET CE :methyl 162:sc= 0 (180deg=-0.00311) USER MOD Single : A 724 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.318) 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= -0.424 X(o=-0.42,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 54.329 19.126 -15.118 1.00 0.00 N ATOM 2 CA VAL A 683 54.311 17.967 -14.231 1.00 0.00 C ATOM 3 C VAL A 683 54.689 18.377 -12.809 1.00 0.00 C ATOM 4 O VAL A 683 55.699 19.049 -12.599 1.00 0.00 O ATOM 5 CB VAL A 683 55.288 16.897 -14.738 1.00 0.00 C ATOM 6 CG1 VAL A 683 54.826 16.387 -16.107 1.00 0.00 C ATOM 7 CG2 VAL A 683 56.697 17.492 -14.863 1.00 0.00 C ATOM 0 HA VAL A 683 53.302 17.555 -14.223 1.00 0.00 H new ATOM 0 HB VAL A 683 55.310 16.070 -14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 683 55.521 15.627 -16.466 1.00 0.00 H new ATOM 0 HG12 VAL A 683 53.830 15.954 -16.017 1.00 0.00 H new ATOM 0 HG13 VAL A 683 54.799 17.216 -16.814 1.00 0.00 H new ATOM 0 HG21 VAL A 683 57.384 16.727 -15.223 1.00 0.00 H new ATOM 0 HG22 VAL A 683 56.679 18.324 -15.567 1.00 0.00 H new ATOM 0 HG23 VAL A 683 57.029 17.848 -13.888 1.00 0.00 H new ATOM 16 N HIS A 684 53.783 18.119 -11.868 1.00 0.00 N ATOM 17 CA HIS A 684 53.969 18.573 -10.492 1.00 0.00 C ATOM 18 C HIS A 684 54.434 17.421 -9.608 1.00 0.00 C ATOM 19 O HIS A 684 55.627 17.118 -9.553 1.00 0.00 O ATOM 20 CB HIS A 684 52.656 19.145 -9.949 1.00 0.00 C ATOM 21 CG HIS A 684 52.402 20.494 -10.562 1.00 0.00 C ATOM 22 ND1 HIS A 684 52.140 21.618 -9.794 1.00 0.00 N ATOM 23 CD2 HIS A 684 52.292 20.900 -11.870 1.00 0.00 C ATOM 24 CE1 HIS A 684 51.911 22.640 -10.638 1.00 0.00 C ATOM 25 NE2 HIS A 684 52.047 22.270 -11.913 1.00 0.00 N ATOM 0 H HIS A 684 52.919 17.602 -12.031 1.00 0.00 H new ATOM 0 HA HIS A 684 54.732 19.351 -10.483 1.00 0.00 H new ATOM 0 HB2 HIS A 684 51.831 18.470 -10.177 1.00 0.00 H new ATOM 0 HB3 HIS A 684 52.706 19.231 -8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 684 52.382 20.256 -12.732 1.00 0.00 H new ATOM 0 HE1 HIS A 684 51.649 23.639 -10.322 1.00 0.00 H new ATOM 0 HE2 HIS A 684 51.985 22.863 -12.741 1.00 0.00 H new ATOM 33 N HIS A 685 53.471 16.676 -9.067 1.00 0.00 N ATOM 34 CA HIS A 685 53.779 15.514 -8.237 1.00 0.00 C ATOM 35 C HIS A 685 54.748 15.889 -7.117 1.00 0.00 C ATOM 36 O HIS A 685 54.786 17.042 -6.685 1.00 0.00 O ATOM 37 CB HIS A 685 54.390 14.401 -9.096 1.00 0.00 C ATOM 38 CG HIS A 685 53.598 14.253 -10.368 1.00 0.00 C ATOM 39 ND1 HIS A 685 53.939 14.935 -11.524 1.00 0.00 N ATOM 40 CD2 HIS A 685 52.364 13.702 -10.612 1.00 0.00 C ATOM 41 CE1 HIS A 685 52.997 14.669 -12.445 1.00 0.00 C ATOM 42 NE2 HIS A 685 51.984 13.973 -11.924 1.00 0.00 N ATOM 0 H HIS A 685 52.474 16.856 -9.188 1.00 0.00 H new ATOM 0 HA HIS A 685 52.850 15.158 -7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 685 55.429 14.635 -9.328 1.00 0.00 H new ATOM 0 HB3 HIS A 685 54.391 13.461 -8.544 1.00 0.00 H new ATOM 0 HD2 HIS A 685 51.778 13.144 -9.896 1.00 0.00 H new ATOM 0 HE1 HIS A 685 53.053 14.980 -13.478 1.00 0.00 H new ATOM 0 HE2 HIS A 685 51.118 13.699 -12.387 1.00 0.00 H new ATOM 50 N GLN A 686 55.397 14.875 -6.547 1.00 0.00 N ATOM 51 CA GLN A 686 56.425 15.089 -5.530 1.00 0.00 C ATOM 52 C GLN A 686 55.791 15.485 -4.197 1.00 0.00 C ATOM 53 O GLN A 686 55.728 14.674 -3.272 1.00 0.00 O ATOM 54 CB GLN A 686 57.409 16.177 -5.985 1.00 0.00 C ATOM 55 CG GLN A 686 58.791 15.903 -5.386 1.00 0.00 C ATOM 56 CD GLN A 686 59.538 14.882 -6.240 1.00 0.00 C ATOM 57 OE1 GLN A 686 59.627 13.710 -5.875 1.00 0.00 O ATOM 58 NE2 GLN A 686 60.080 15.260 -7.367 1.00 0.00 N ATOM 0 H GLN A 686 55.228 13.895 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 686 56.969 14.154 -5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 686 57.470 16.194 -7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 686 57.053 17.158 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 686 59.362 16.830 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 686 58.687 15.530 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 686 60.005 16.232 -7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 686 60.578 14.583 -7.946 1.00 0.00 H new ATOM 67 N LYS A 687 55.185 16.671 -4.163 1.00 0.00 N ATOM 68 CA LYS A 687 54.446 17.113 -2.984 1.00 0.00 C ATOM 69 C LYS A 687 52.944 16.944 -3.194 1.00 0.00 C ATOM 70 O LYS A 687 52.502 16.555 -4.276 1.00 0.00 O ATOM 71 CB LYS A 687 54.762 18.583 -2.693 1.00 0.00 C ATOM 72 CG LYS A 687 55.907 18.665 -1.679 1.00 0.00 C ATOM 73 CD LYS A 687 56.270 20.132 -1.427 1.00 0.00 C ATOM 74 CE LYS A 687 57.620 20.208 -0.708 1.00 0.00 C ATOM 75 NZ LYS A 687 57.562 19.407 0.548 1.00 0.00 N1+ ATOM 0 H LYS A 687 55.191 17.339 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 687 54.751 16.500 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 687 55.039 19.096 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 687 53.878 19.086 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 687 55.613 18.188 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 687 56.776 18.124 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 687 56.318 20.673 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 687 55.498 20.610 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 687 58.411 19.830 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 687 57.864 21.245 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 58.339 19.692 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 56.652 19.573 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 57.654 18.397 0.320 1.00 0.00 H new ATOM 89 N LEU A 688 52.195 17.037 -2.094 1.00 0.00 N ATOM 90 CA LEU A 688 50.740 16.889 -2.139 1.00 0.00 C ATOM 91 C LEU A 688 50.349 15.442 -2.432 1.00 0.00 C ATOM 92 O LEU A 688 49.171 15.089 -2.365 1.00 0.00 O ATOM 93 CB LEU A 688 50.145 17.812 -3.210 1.00 0.00 C ATOM 94 CG LEU A 688 48.810 18.380 -2.716 1.00 0.00 C ATOM 95 CD1 LEU A 688 49.065 19.629 -1.865 1.00 0.00 C ATOM 96 CD2 LEU A 688 47.933 18.748 -3.918 1.00 0.00 C ATOM 0 H LEU A 688 52.571 17.214 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 688 50.342 17.167 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 688 50.838 18.624 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 688 49.996 17.260 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 688 48.300 17.630 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 688 48.114 20.031 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 688 49.685 19.365 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 688 49.577 20.380 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 688 46.984 19.152 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 688 48.443 19.496 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 688 47.748 17.858 -4.519 1.00 0.00 H new ATOM 108 N VAL A 689 51.353 14.579 -2.567 1.00 0.00 N ATOM 109 CA VAL A 689 51.109 13.159 -2.803 1.00 0.00 C ATOM 110 C VAL A 689 50.571 12.488 -1.540 1.00 0.00 C ATOM 111 O VAL A 689 49.935 11.436 -1.613 1.00 0.00 O ATOM 112 CB VAL A 689 52.408 12.471 -3.247 1.00 0.00 C ATOM 113 CG1 VAL A 689 53.479 12.632 -2.161 1.00 0.00 C ATOM 114 CG2 VAL A 689 52.146 10.981 -3.490 1.00 0.00 C ATOM 0 H VAL A 689 52.339 14.837 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 689 50.363 13.063 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 689 52.759 12.933 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 689 54.398 12.142 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 689 53.672 13.692 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 689 53.129 12.177 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 689 53.070 10.496 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 689 51.789 10.519 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 689 51.392 10.866 -4.269 1.00 0.00 H new ATOM 124 N PHE A 690 50.648 13.207 -0.422 1.00 0.00 N ATOM 125 CA PHE A 690 50.108 12.711 0.840 1.00 0.00 C ATOM 126 C PHE A 690 48.582 12.660 0.798 1.00 0.00 C ATOM 127 O PHE A 690 47.953 12.035 1.654 1.00 0.00 O ATOM 128 CB PHE A 690 50.558 13.619 1.990 1.00 0.00 C ATOM 129 CG PHE A 690 51.550 12.883 2.860 1.00 0.00 C ATOM 130 CD1 PHE A 690 51.106 11.891 3.742 1.00 0.00 C ATOM 131 CD2 PHE A 690 52.917 13.177 2.770 1.00 0.00 C ATOM 132 CE1 PHE A 690 52.029 11.185 4.525 1.00 0.00 C ATOM 133 CE2 PHE A 690 53.833 12.507 3.589 1.00 0.00 C ATOM 134 CZ PHE A 690 53.389 11.506 4.462 1.00 0.00 C ATOM 0 H PHE A 690 51.077 14.131 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 690 50.485 11.701 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 690 51.011 14.527 1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 690 49.696 13.925 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 690 50.052 11.670 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 690 53.264 13.921 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 690 51.690 10.393 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 690 54.882 12.762 3.548 1.00 0.00 H new ATOM 0 HZ PHE A 690 54.097 10.982 5.087 1.00 0.00 H new ATOM 144 N PHE A 691 48.003 13.215 -0.265 1.00 0.00 N ATOM 145 CA PHE A 691 46.562 13.117 -0.484 1.00 0.00 C ATOM 146 C PHE A 691 46.209 11.797 -1.169 1.00 0.00 C ATOM 147 O PHE A 691 45.220 11.715 -1.899 1.00 0.00 O ATOM 148 CB PHE A 691 46.088 14.293 -1.346 1.00 0.00 C ATOM 149 CG PHE A 691 44.600 14.494 -1.160 1.00 0.00 C ATOM 150 CD1 PHE A 691 44.104 14.963 0.064 1.00 0.00 C ATOM 151 CD2 PHE A 691 43.727 14.311 -2.241 1.00 0.00 C ATOM 152 CE1 PHE A 691 42.724 15.114 0.246 1.00 0.00 C ATOM 153 CE2 PHE A 691 42.360 14.565 -2.085 1.00 0.00 C ATOM 154 CZ PHE A 691 41.849 14.872 -0.818 1.00 0.00 C ATOM 0 H PHE A 691 48.506 13.734 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 691 46.060 13.150 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 691 46.625 15.200 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 691 46.310 14.100 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 691 44.785 15.208 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 691 44.109 13.974 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 691 42.336 15.417 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 691 41.701 14.524 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 691 40.781 14.922 -0.663 1.00 0.00 H new ATOM 164 N ALA A 692 46.895 10.731 -0.763 1.00 0.00 N ATOM 165 CA ALA A 692 46.647 9.410 -1.332 1.00 0.00 C ATOM 166 C ALA A 692 45.344 8.823 -0.789 1.00 0.00 C ATOM 167 O ALA A 692 44.814 7.858 -1.341 1.00 0.00 O ATOM 168 CB ALA A 692 47.811 8.472 -1.001 1.00 0.00 C ATOM 0 H ALA A 692 47.622 10.756 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 692 46.559 9.513 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 692 47.619 7.488 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 692 48.733 8.875 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 692 47.911 8.384 0.081 1.00 0.00 H new ATOM 174 N GLU A 693 44.791 9.466 0.238 1.00 0.00 N ATOM 175 CA GLU A 693 43.587 8.960 0.892 1.00 0.00 C ATOM 176 C GLU A 693 42.397 8.996 -0.065 1.00 0.00 C ATOM 177 O GLU A 693 41.564 8.089 -0.064 1.00 0.00 O ATOM 178 CB GLU A 693 43.271 9.802 2.133 1.00 0.00 C ATOM 179 CG GLU A 693 44.206 9.408 3.280 1.00 0.00 C ATOM 180 CD GLU A 693 43.566 8.307 4.124 1.00 0.00 C ATOM 181 OE1 GLU A 693 43.638 7.158 3.719 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 42.999 8.631 5.156 1.00 0.00 O ATOM 0 H GLU A 693 45.155 10.333 0.633 1.00 0.00 H new ATOM 0 HA GLU A 693 43.768 7.927 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 693 43.388 10.861 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 693 42.233 9.653 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 693 45.159 9.063 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 693 44.417 10.278 3.902 1.00 0.00 H new ATOM 189 N ASP A 694 42.414 9.961 -0.982 1.00 0.00 N ATOM 190 CA ASP A 694 41.346 10.089 -1.969 1.00 0.00 C ATOM 191 C ASP A 694 41.432 8.965 -2.998 1.00 0.00 C ATOM 192 O ASP A 694 40.460 8.244 -3.227 1.00 0.00 O ATOM 193 CB ASP A 694 41.448 11.450 -2.669 1.00 0.00 C ATOM 194 CG ASP A 694 40.681 11.429 -3.991 1.00 0.00 C ATOM 195 OD1 ASP A 694 39.469 11.295 -3.946 1.00 0.00 O ATOM 196 OD2 ASP A 694 41.327 11.423 -5.026 1.00 0.00 O1- ATOM 0 H ASP A 694 43.151 10.662 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 694 40.386 10.018 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 694 41.047 12.230 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 694 42.494 11.694 -2.852 1.00 0.00 H new ATOM 201 N VAL A 695 42.589 8.848 -3.638 1.00 0.00 N ATOM 202 CA VAL A 695 42.776 7.856 -4.693 1.00 0.00 C ATOM 203 C VAL A 695 42.907 6.449 -4.102 1.00 0.00 C ATOM 204 O VAL A 695 43.141 5.483 -4.830 1.00 0.00 O ATOM 205 CB VAL A 695 44.032 8.193 -5.505 1.00 0.00 C ATOM 206 CG1 VAL A 695 43.854 9.557 -6.183 1.00 0.00 C ATOM 207 CG2 VAL A 695 45.244 8.238 -4.572 1.00 0.00 C ATOM 0 H VAL A 695 43.409 9.424 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 695 41.902 7.878 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 695 44.189 7.429 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 695 44.747 9.796 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 695 42.991 9.523 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 695 43.697 10.323 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 695 46.138 8.477 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 695 45.088 9.001 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 695 45.371 7.267 -4.093 1.00 0.00 H new ATOM 217 N GLY A 696 42.826 6.353 -2.774 1.00 0.00 N ATOM 218 CA GLY A 696 42.958 5.064 -2.094 1.00 0.00 C ATOM 219 C GLY A 696 41.749 4.171 -2.366 1.00 0.00 C ATOM 220 O GLY A 696 40.894 4.507 -3.187 1.00 0.00 O ATOM 0 H GLY A 696 42.671 7.146 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 696 43.866 4.564 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 696 43.061 5.225 -1.021 1.00 0.00 H new ATOM 224 N SER A 697 41.622 3.099 -1.579 1.00 0.00 N ATOM 225 CA SER A 697 40.606 2.074 -1.828 1.00 0.00 C ATOM 226 C SER A 697 40.848 1.382 -3.171 1.00 0.00 C ATOM 227 O SER A 697 40.780 2.017 -4.224 1.00 0.00 O ATOM 228 CB SER A 697 39.200 2.700 -1.793 1.00 0.00 C ATOM 229 OG SER A 697 38.755 2.982 -3.113 1.00 0.00 O ATOM 0 H SER A 697 42.210 2.919 -0.765 1.00 0.00 H new ATOM 0 HA SER A 697 40.677 1.323 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 697 38.503 2.019 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 697 39.217 3.617 -1.203 1.00 0.00 H new ATOM 0 HG SER A 697 39.512 3.286 -3.656 1.00 0.00 H new ATOM 235 N ASN A 698 41.365 0.155 -3.105 1.00 0.00 N ATOM 236 CA ASN A 698 41.520 -0.675 -4.298 1.00 0.00 C ATOM 237 C ASN A 698 41.951 -2.089 -3.913 1.00 0.00 C ATOM 238 O ASN A 698 43.131 -2.339 -3.662 1.00 0.00 O ATOM 239 CB ASN A 698 42.569 -0.061 -5.235 1.00 0.00 C ATOM 240 CG ASN A 698 41.890 0.588 -6.437 1.00 0.00 C ATOM 241 OD1 ASN A 698 41.169 -0.079 -7.180 1.00 0.00 O ATOM 242 ND2 ASN A 698 42.136 1.839 -6.716 1.00 0.00 N ATOM 0 H ASN A 698 41.682 -0.284 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 698 40.559 -0.722 -4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 698 43.157 0.682 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 698 43.261 -0.832 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 698 41.731 2.265 -7.550 1.00 0.00 H new ATOM 0 HD22 ASN A 698 42.733 2.391 -6.100 1.00 0.00 H new ATOM 249 N LYS A 699 41.006 -3.026 -3.959 1.00 0.00 N ATOM 250 CA LYS A 699 41.296 -4.413 -3.601 1.00 0.00 C ATOM 251 C LYS A 699 42.236 -5.046 -4.624 1.00 0.00 C ATOM 252 O LYS A 699 43.120 -5.827 -4.268 1.00 0.00 O ATOM 253 CB LYS A 699 39.996 -5.220 -3.534 1.00 0.00 C ATOM 254 CG LYS A 699 39.268 -4.924 -2.216 1.00 0.00 C ATOM 255 CD LYS A 699 39.598 -6.010 -1.185 1.00 0.00 C ATOM 256 CE LYS A 699 39.149 -5.550 0.206 1.00 0.00 C ATOM 257 NZ LYS A 699 38.636 -6.717 0.980 1.00 0.00 N1+ ATOM 0 H LYS A 699 40.040 -2.852 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 699 41.780 -4.421 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.356 -4.966 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 699 40.214 -6.285 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.567 -3.947 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.192 -4.885 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 699 39.098 -6.942 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 699 40.669 -6.212 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 699 39.984 -5.090 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 699 38.372 -4.791 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 38.332 -6.401 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 37.828 -7.138 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 39.390 -7.427 1.079 1.00 0.00 H new ATOM 271 N GLY A 700 41.990 -4.760 -5.901 1.00 0.00 N ATOM 272 CA GLY A 700 42.798 -5.328 -6.975 1.00 0.00 C ATOM 273 C GLY A 700 44.246 -4.855 -6.875 1.00 0.00 C ATOM 274 O GLY A 700 45.166 -5.671 -6.820 1.00 0.00 O ATOM 0 H GLY A 700 41.242 -4.142 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.762 -6.416 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 700 42.382 -5.039 -7.940 1.00 0.00 H new ATOM 278 N ALA A 701 44.414 -3.557 -6.625 1.00 0.00 N ATOM 279 CA ALA A 701 45.747 -2.982 -6.474 1.00 0.00 C ATOM 280 C ALA A 701 46.452 -3.572 -5.258 1.00 0.00 C ATOM 281 O ALA A 701 47.590 -4.024 -5.356 1.00 0.00 O ATOM 282 CB ALA A 701 45.647 -1.463 -6.317 1.00 0.00 C ATOM 0 H ALA A 701 43.649 -2.889 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 701 46.325 -3.219 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.646 -1.042 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 701 45.171 -1.037 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.053 -1.227 -5.434 1.00 0.00 H new ATOM 288 N ILE A 702 45.699 -3.731 -4.170 1.00 0.00 N ATOM 289 CA ILE A 702 46.257 -4.268 -2.932 1.00 0.00 C ATOM 290 C ILE A 702 46.906 -5.628 -3.183 1.00 0.00 C ATOM 291 O ILE A 702 48.077 -5.826 -2.860 1.00 0.00 O ATOM 292 CB ILE A 702 45.147 -4.398 -1.879 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.899 -3.029 -1.233 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.562 -5.404 -0.798 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.538 -3.025 -0.529 1.00 0.00 C ATOM 0 H ILE A 702 44.707 -3.497 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 702 47.023 -3.585 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 702 44.235 -4.750 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.690 -2.806 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.928 -2.248 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.768 -5.489 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.737 -6.378 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.476 -5.061 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.368 -2.050 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.752 -3.227 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.525 -3.795 0.243 1.00 0.00 H new ATOM 307 N ILE A 703 46.232 -6.451 -3.982 1.00 0.00 N ATOM 308 CA ILE A 703 46.749 -7.775 -4.318 1.00 0.00 C ATOM 309 C ILE A 703 47.991 -7.660 -5.199 1.00 0.00 C ATOM 310 O ILE A 703 49.007 -8.306 -4.940 1.00 0.00 O ATOM 311 CB ILE A 703 45.668 -8.582 -5.049 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.500 -8.853 -4.094 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.255 -9.915 -5.531 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.233 -9.149 -4.899 1.00 0.00 C ATOM 0 H ILE A 703 45.332 -6.227 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 703 47.024 -8.286 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 703 45.312 -8.013 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.736 -9.697 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.338 -7.990 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.485 -10.486 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.084 -9.722 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.614 -10.485 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.405 -9.341 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.993 -8.292 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.397 -10.025 -5.526 1.00 0.00 H new ATOM 326 N GLY A 704 47.897 -6.841 -6.244 1.00 0.00 N ATOM 327 CA GLY A 704 49.002 -6.681 -7.185 1.00 0.00 C ATOM 328 C GLY A 704 50.194 -6.001 -6.517 1.00 0.00 C ATOM 329 O GLY A 704 51.344 -6.236 -6.888 1.00 0.00 O ATOM 0 H GLY A 704 47.072 -6.281 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.303 -7.656 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.674 -6.090 -8.040 1.00 0.00 H new ATOM 333 N LEU A 705 49.907 -5.179 -5.510 1.00 0.00 N ATOM 334 CA LEU A 705 50.958 -4.525 -4.739 1.00 0.00 C ATOM 335 C LEU A 705 51.518 -5.469 -3.682 1.00 0.00 C ATOM 336 O LEU A 705 52.563 -5.192 -3.091 1.00 0.00 O ATOM 337 CB LEU A 705 50.397 -3.274 -4.059 1.00 0.00 C ATOM 338 CG LEU A 705 50.063 -2.217 -5.117 1.00 0.00 C ATOM 339 CD1 LEU A 705 49.267 -1.084 -4.465 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.357 -1.657 -5.715 1.00 0.00 C ATOM 0 H LEU A 705 48.959 -4.952 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 705 51.762 -4.245 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.503 -3.528 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 705 51.124 -2.876 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 705 49.470 -2.672 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 705 49.027 -0.330 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.344 -1.483 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.862 -0.631 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 705 51.115 -0.906 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.955 -1.201 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.923 -2.465 -6.178 1.00 0.00 H new ATOM 352 N MET A 706 50.735 -6.484 -3.322 1.00 0.00 N ATOM 353 CA MET A 706 51.131 -7.403 -2.261 1.00 0.00 C ATOM 354 C MET A 706 52.337 -8.229 -2.697 1.00 0.00 C ATOM 355 O MET A 706 53.372 -8.229 -2.029 1.00 0.00 O ATOM 356 CB MET A 706 49.971 -8.338 -1.906 1.00 0.00 C ATOM 357 CG MET A 706 50.305 -9.100 -0.621 1.00 0.00 C ATOM 358 SD MET A 706 50.247 -7.966 0.788 1.00 0.00 S ATOM 359 CE MET A 706 51.438 -8.842 1.834 1.00 0.00 C ATOM 0 H MET A 706 49.830 -6.689 -3.746 1.00 0.00 H new ATOM 0 HA MET A 706 51.399 -6.816 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.054 -7.763 -1.773 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.792 -9.039 -2.721 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.596 -9.915 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.295 -9.549 -0.699 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.559 -8.306 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.074 -9.850 2.034 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.399 -8.898 1.323 1.00 0.00 H new ATOM 369 N VAL A 707 52.246 -8.805 -3.893 1.00 0.00 N ATOM 370 CA VAL A 707 53.343 -9.599 -4.437 1.00 0.00 C ATOM 371 C VAL A 707 54.553 -8.716 -4.730 1.00 0.00 C ATOM 372 O VAL A 707 55.686 -9.086 -4.417 1.00 0.00 O ATOM 373 CB VAL A 707 52.896 -10.306 -5.725 1.00 0.00 C ATOM 374 CG1 VAL A 707 51.905 -11.420 -5.377 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.225 -9.299 -6.666 1.00 0.00 C ATOM 0 H VAL A 707 51.429 -8.737 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 707 53.625 -10.346 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 707 53.767 -10.734 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 707 51.587 -11.923 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.385 -12.140 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.036 -10.991 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.910 -9.807 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.355 -8.865 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 707 52.932 -8.508 -6.917 1.00 0.00 H new ATOM 385 N GLY A 708 54.284 -7.477 -5.134 1.00 0.00 N ATOM 386 CA GLY A 708 55.351 -6.516 -5.396 1.00 0.00 C ATOM 387 C GLY A 708 55.694 -5.724 -4.138 1.00 0.00 C ATOM 388 O GLY A 708 56.605 -4.895 -4.150 1.00 0.00 O ATOM 0 H GLY A 708 53.342 -7.117 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.238 -7.040 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.044 -5.833 -6.188 1.00 0.00 H new ATOM 392 N GLY A 709 55.080 -6.107 -3.019 1.00 0.00 N ATOM 393 CA GLY A 709 55.267 -5.384 -1.766 1.00 0.00 C ATOM 394 C GLY A 709 56.489 -5.903 -1.016 1.00 0.00 C ATOM 395 O GLY A 709 56.602 -5.730 0.199 1.00 0.00 O ATOM 0 H GLY A 709 54.453 -6.909 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.385 -4.320 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.379 -5.493 -1.143 1.00 0.00 H new ATOM 399 N VAL A 710 57.354 -6.619 -1.730 1.00 0.00 N ATOM 400 CA VAL A 710 58.565 -7.168 -1.128 1.00 0.00 C ATOM 401 C VAL A 710 59.575 -6.057 -0.856 1.00 0.00 C ATOM 402 O VAL A 710 60.108 -5.950 0.249 1.00 0.00 O ATOM 403 CB VAL A 710 59.186 -8.210 -2.067 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.418 -8.835 -1.401 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.155 -9.305 -2.375 1.00 0.00 C ATOM 0 H VAL A 710 57.240 -6.832 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 710 58.300 -7.642 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 710 59.486 -7.725 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.857 -9.575 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.151 -8.057 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.122 -9.318 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.598 -10.044 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.851 -9.790 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.283 -8.860 -2.855 1.00 0.00 H new ATOM 415 N VAL A 711 59.731 -5.160 -1.826 1.00 0.00 N ATOM 416 CA VAL A 711 60.699 -4.075 -1.704 1.00 0.00 C ATOM 417 C VAL A 711 60.251 -3.074 -0.643 1.00 0.00 C ATOM 418 O VAL A 711 61.007 -2.765 0.280 1.00 0.00 O ATOM 419 CB VAL A 711 60.870 -3.366 -3.056 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.521 -2.808 -3.530 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.875 -2.218 -2.908 1.00 0.00 C ATOM 0 H VAL A 711 59.204 -5.163 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 711 61.656 -4.498 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 711 61.238 -4.082 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.651 -2.307 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 711 58.808 -3.625 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.144 -2.095 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.996 -1.715 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.508 -1.506 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.836 -2.616 -2.583 1.00 0.00 H new ATOM 431 N ILE A 712 58.959 -2.755 -0.650 1.00 0.00 N ATOM 432 CA ILE A 712 58.424 -1.746 0.260 1.00 0.00 C ATOM 433 C ILE A 712 58.300 -2.312 1.672 1.00 0.00 C ATOM 434 O ILE A 712 58.422 -1.579 2.655 1.00 0.00 O ATOM 435 CB ILE A 712 57.053 -1.266 -0.235 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.676 0.030 0.492 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.994 -2.340 0.042 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.282 0.487 0.055 1.00 0.00 C ATOM 0 H ILE A 712 58.268 -3.177 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 712 59.111 -0.900 0.283 1.00 0.00 H new ATOM 0 HB ILE A 712 57.100 -1.082 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.694 -0.129 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.408 0.807 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.023 -1.993 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.263 -3.259 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 712 55.942 -2.532 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.021 1.408 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.278 0.664 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.553 -0.286 0.298 1.00 0.00 H new ATOM 450 N ALA A 713 58.141 -3.631 1.764 1.00 0.00 N ATOM 451 CA ALA A 713 58.087 -4.298 3.061 1.00 0.00 C ATOM 452 C ALA A 713 59.382 -4.073 3.831 1.00 0.00 C ATOM 453 O ALA A 713 59.364 -3.527 4.935 1.00 0.00 O ATOM 454 CB ALA A 713 57.863 -5.801 2.869 1.00 0.00 C ATOM 0 H ALA A 713 58.048 -4.254 0.962 1.00 0.00 H new ATOM 0 HA ALA A 713 57.258 -3.877 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.824 -6.290 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.922 -5.964 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.683 -6.219 2.285 1.00 0.00 H new ATOM 460 N THR A 714 60.503 -4.267 3.143 1.00 0.00 N ATOM 461 CA THR A 714 61.810 -4.178 3.784 1.00 0.00 C ATOM 462 C THR A 714 62.097 -2.740 4.205 1.00 0.00 C ATOM 463 O THR A 714 62.478 -2.494 5.350 1.00 0.00 O ATOM 464 CB THR A 714 62.899 -4.662 2.822 1.00 0.00 C ATOM 465 OG1 THR A 714 62.406 -5.751 2.054 1.00 0.00 O ATOM 466 CG2 THR A 714 64.125 -5.117 3.619 1.00 0.00 C ATOM 0 H THR A 714 60.533 -4.486 2.147 1.00 0.00 H new ATOM 0 HA THR A 714 61.807 -4.812 4.671 1.00 0.00 H new ATOM 0 HB THR A 714 63.180 -3.845 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.103 -6.059 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.898 -5.461 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.507 -4.282 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.844 -5.932 4.286 1.00 0.00 H new ATOM 474 N VAL A 715 61.635 -1.800 3.385 1.00 0.00 N ATOM 475 CA VAL A 715 61.753 -0.383 3.712 1.00 0.00 C ATOM 476 C VAL A 715 61.033 -0.074 5.022 1.00 0.00 C ATOM 477 O VAL A 715 61.634 0.468 5.950 1.00 0.00 O ATOM 478 CB VAL A 715 61.154 0.464 2.583 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.206 1.947 2.965 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.955 0.240 1.296 1.00 0.00 C ATOM 0 H VAL A 715 61.178 -1.993 2.494 1.00 0.00 H new ATOM 0 HA VAL A 715 62.810 -0.141 3.827 1.00 0.00 H new ATOM 0 HB VAL A 715 60.117 0.169 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.779 2.545 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.634 2.108 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.242 2.245 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.529 0.842 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.993 0.532 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.914 -0.814 1.020 1.00 0.00 H new ATOM 490 N ILE A 716 59.835 -0.633 5.168 1.00 0.00 N ATOM 491 CA ILE A 716 59.051 -0.440 6.384 1.00 0.00 C ATOM 492 C ILE A 716 59.697 -1.172 7.558 1.00 0.00 C ATOM 493 O ILE A 716 59.744 -0.651 8.672 1.00 0.00 O ATOM 494 CB ILE A 716 57.620 -0.957 6.165 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.795 0.110 5.429 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.963 -1.282 7.514 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.370 1.217 6.403 1.00 0.00 C ATOM 0 H ILE A 716 59.388 -1.220 4.464 1.00 0.00 H new ATOM 0 HA ILE A 716 59.018 0.624 6.616 1.00 0.00 H new ATOM 0 HB ILE A 716 57.658 -1.865 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.382 0.537 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.913 -0.347 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.950 -1.647 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.545 -2.048 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.927 -0.382 8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.786 1.967 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.765 0.787 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.256 1.685 6.831 1.00 0.00 H new ATOM 509 N VAL A 717 60.239 -2.358 7.289 1.00 0.00 N ATOM 510 CA VAL A 717 60.817 -3.185 8.344 1.00 0.00 C ATOM 511 C VAL A 717 61.962 -2.447 9.033 1.00 0.00 C ATOM 512 O VAL A 717 61.937 -2.252 10.249 1.00 0.00 O ATOM 513 CB VAL A 717 61.333 -4.505 7.752 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.116 -5.279 8.817 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.148 -5.353 7.274 1.00 0.00 C ATOM 0 H VAL A 717 60.290 -2.765 6.355 1.00 0.00 H new ATOM 0 HA VAL A 717 60.043 -3.399 9.081 1.00 0.00 H new ATOM 0 HB VAL A 717 61.988 -4.287 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.480 -6.215 8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.962 -4.680 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.464 -5.494 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.516 -6.289 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.490 -5.567 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.594 -4.806 6.511 1.00 0.00 H new ATOM 525 N ILE A 718 62.837 -1.852 8.224 1.00 0.00 N ATOM 526 CA ILE A 718 63.970 -1.098 8.751 1.00 0.00 C ATOM 527 C ILE A 718 63.481 0.123 9.534 1.00 0.00 C ATOM 528 O ILE A 718 64.050 0.472 10.569 1.00 0.00 O ATOM 529 CB ILE A 718 64.885 -0.659 7.592 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.958 -1.729 7.344 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.573 0.669 7.931 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.298 -3.068 7.005 1.00 0.00 C ATOM 0 H ILE A 718 62.783 -1.878 7.206 1.00 0.00 H new ATOM 0 HA ILE A 718 64.536 -1.736 9.430 1.00 0.00 H new ATOM 0 HB ILE A 718 64.275 -0.531 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.610 -1.419 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.585 -1.838 8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.216 0.967 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.818 1.437 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.174 0.548 8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.068 -3.820 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.665 -3.382 7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 718 64.690 -2.957 6.107 1.00 0.00 H new ATOM 544 N THR A 719 62.314 0.638 9.146 1.00 0.00 N ATOM 545 CA THR A 719 61.715 1.776 9.841 1.00 0.00 C ATOM 546 C THR A 719 61.105 1.330 11.166 1.00 0.00 C ATOM 547 O THR A 719 61.219 2.027 12.177 1.00 0.00 O ATOM 548 CB THR A 719 60.630 2.414 8.969 1.00 0.00 C ATOM 549 OG1 THR A 719 61.082 2.475 7.626 1.00 0.00 O ATOM 550 CG2 THR A 719 60.335 3.833 9.467 1.00 0.00 C ATOM 0 H THR A 719 61.768 0.287 8.359 1.00 0.00 H new ATOM 0 HA THR A 719 62.498 2.509 10.038 1.00 0.00 H new ATOM 0 HB THR A 719 59.722 1.813 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.013 1.587 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.562 4.284 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.990 3.792 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.243 4.434 9.411 1.00 0.00 H new ATOM 558 N LEU A 720 60.492 0.148 11.163 1.00 0.00 N ATOM 559 CA LEU A 720 59.857 -0.381 12.364 1.00 0.00 C ATOM 560 C LEU A 720 60.901 -0.665 13.439 1.00 0.00 C ATOM 561 O LEU A 720 60.673 -0.404 14.620 1.00 0.00 O ATOM 562 CB LEU A 720 59.102 -1.675 12.032 1.00 0.00 C ATOM 563 CG LEU A 720 57.680 -1.609 12.607 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.807 -2.665 11.919 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.722 -1.883 14.116 1.00 0.00 C ATOM 0 H LEU A 720 60.423 -0.458 10.345 1.00 0.00 H new ATOM 0 HA LEU A 720 59.155 0.364 12.739 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.061 -1.816 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.632 -2.533 12.446 1.00 0.00 H new ATOM 0 HG LEU A 720 57.262 -0.618 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.796 -2.622 12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.777 -2.470 10.847 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.227 -3.655 12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.712 -1.836 14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.139 -2.874 14.294 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.345 -1.134 14.605 1.00 0.00 H new ATOM 577 N VAL A 721 62.100 -1.026 12.997 1.00 0.00 N ATOM 578 CA VAL A 721 63.201 -1.287 13.918 1.00 0.00 C ATOM 579 C VAL A 721 63.530 -0.036 14.729 1.00 0.00 C ATOM 580 O VAL A 721 63.838 -0.128 15.918 1.00 0.00 O ATOM 581 CB VAL A 721 64.438 -1.735 13.134 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.606 -1.940 14.103 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.135 -3.050 12.407 1.00 0.00 C ATOM 0 H VAL A 721 62.335 -1.144 12.011 1.00 0.00 H new ATOM 0 HA VAL A 721 62.900 -2.078 14.604 1.00 0.00 H new ATOM 0 HB VAL A 721 64.703 -0.972 12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.488 -2.259 13.548 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.820 -1.003 14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.342 -2.704 14.835 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.016 -3.369 11.849 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.870 -3.816 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.303 -2.902 11.718 1.00 0.00 H new ATOM 593 N MET A 722 63.274 1.128 14.138 1.00 0.00 N ATOM 594 CA MET A 722 63.618 2.390 14.780 1.00 0.00 C ATOM 595 C MET A 722 62.557 2.778 15.804 1.00 0.00 C ATOM 596 O MET A 722 62.859 3.440 16.799 1.00 0.00 O ATOM 597 CB MET A 722 63.751 3.498 13.726 1.00 0.00 C ATOM 598 CG MET A 722 64.086 4.827 14.413 1.00 0.00 C ATOM 599 SD MET A 722 62.557 5.743 14.724 1.00 0.00 S ATOM 600 CE MET A 722 63.121 6.643 16.189 1.00 0.00 C ATOM 0 H MET A 722 62.833 1.222 13.223 1.00 0.00 H new ATOM 0 HA MET A 722 64.571 2.266 15.294 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.532 3.241 13.010 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.822 3.592 13.164 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.610 4.643 15.351 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.755 5.416 13.785 1.00 0.00 H new ATOM 0 HE1 MET A 722 62.466 7.496 16.366 1.00 0.00 H new ATOM 0 HE2 MET A 722 63.096 5.981 17.055 1.00 0.00 H new ATOM 0 HE3 MET A 722 64.140 6.994 16.030 1.00 0.00 H new ATOM 610 N LEU A 723 61.342 2.273 15.613 1.00 0.00 N ATOM 611 CA LEU A 723 60.248 2.568 16.535 1.00 0.00 C ATOM 612 C LEU A 723 60.579 2.072 17.941 1.00 0.00 C ATOM 613 O LEU A 723 60.031 2.571 18.925 1.00 0.00 O ATOM 614 CB LEU A 723 58.954 1.902 16.048 1.00 0.00 C ATOM 615 CG LEU A 723 58.514 2.524 14.718 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.380 1.679 14.114 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.025 3.962 14.952 1.00 0.00 C ATOM 0 H LEU A 723 61.090 1.663 14.835 1.00 0.00 H new ATOM 0 HA LEU A 723 60.110 3.649 16.566 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.111 0.831 15.924 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.169 2.025 16.794 1.00 0.00 H new ATOM 0 HG LEU A 723 59.358 2.546 14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.064 2.118 13.168 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.735 0.663 13.942 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.536 1.657 14.804 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.714 4.399 14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.181 3.952 15.641 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.833 4.557 15.377 1.00 0.00 H new ATOM 629 N LYS A 724 61.545 1.160 18.031 1.00 0.00 N ATOM 630 CA LYS A 724 62.004 0.659 19.325 1.00 0.00 C ATOM 631 C LYS A 724 62.871 1.699 20.030 1.00 0.00 C ATOM 632 O LYS A 724 62.866 1.786 21.259 1.00 0.00 O ATOM 633 CB LYS A 724 62.808 -0.630 19.131 1.00 0.00 C ATOM 634 CG LYS A 724 62.430 -1.640 20.217 1.00 0.00 C ATOM 635 CD LYS A 724 63.448 -2.784 20.233 1.00 0.00 C ATOM 636 CE LYS A 724 62.721 -4.114 20.448 1.00 0.00 C ATOM 637 NZ LYS A 724 61.922 -4.048 21.705 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.023 0.754 17.227 1.00 0.00 H new ATOM 0 HA LYS A 724 61.130 0.454 19.943 1.00 0.00 H new ATOM 0 HB2 LYS A 724 62.609 -1.050 18.145 1.00 0.00 H new ATOM 0 HB3 LYS A 724 63.876 -0.415 19.176 1.00 0.00 H new ATOM 0 HG2 LYS A 724 62.404 -1.150 21.190 1.00 0.00 H new ATOM 0 HG3 LYS A 724 61.430 -2.032 20.031 1.00 0.00 H new ATOM 0 HD2 LYS A 724 63.999 -2.807 19.293 1.00 0.00 H new ATOM 0 HD3 LYS A 724 64.178 -2.624 21.027 1.00 0.00 H new ATOM 0 HE2 LYS A 724 62.068 -4.325 19.601 1.00 0.00 H new ATOM 0 HE3 LYS A 724 63.442 -4.929 20.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 61.710 -5.012 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 62.465 -3.546 22.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 61.033 -3.540 21.525 1.00 0.00 H new ATOM 651 N LYS A 725 63.732 2.360 19.256 1.00 0.00 N ATOM 652 CA LYS A 725 64.627 3.384 19.798 1.00 0.00 C ATOM 653 C LYS A 725 65.700 2.749 20.680 1.00 0.00 C ATOM 654 O LYS A 725 65.422 2.315 21.798 1.00 0.00 O ATOM 655 CB LYS A 725 63.831 4.414 20.607 1.00 0.00 C ATOM 656 CG LYS A 725 64.596 5.741 20.640 1.00 0.00 C ATOM 657 CD LYS A 725 64.080 6.600 21.799 1.00 0.00 C ATOM 658 CE LYS A 725 64.783 7.961 21.784 1.00 0.00 C ATOM 659 NZ LYS A 725 63.831 9.016 22.230 1.00 0.00 N1+ ATOM 0 H LYS A 725 63.829 2.205 18.252 1.00 0.00 H new ATOM 0 HA LYS A 725 65.113 3.888 18.963 1.00 0.00 H new ATOM 0 HB2 LYS A 725 62.847 4.560 20.161 1.00 0.00 H new ATOM 0 HB3 LYS A 725 63.670 4.050 21.622 1.00 0.00 H new ATOM 0 HG2 LYS A 725 65.663 5.555 20.759 1.00 0.00 H new ATOM 0 HG3 LYS A 725 64.468 6.270 19.696 1.00 0.00 H new ATOM 0 HD2 LYS A 725 63.002 6.735 21.712 1.00 0.00 H new ATOM 0 HD3 LYS A 725 64.263 6.096 22.748 1.00 0.00 H new ATOM 0 HE2 LYS A 725 65.653 7.940 22.440 1.00 0.00 H new ATOM 0 HE3 LYS A 725 65.146 8.184 20.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 64.308 9.940 22.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 63.014 9.041 21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 63.506 8.805 23.195 1.00 0.00 H new ATOM 673 N LYS A 726 66.905 2.620 20.130 1.00 0.00 N ATOM 674 CA LYS A 726 68.019 2.032 20.866 1.00 0.00 C ATOM 675 C LYS A 726 68.932 3.122 21.418 1.00 0.00 C ATOM 676 O LYS A 726 69.204 3.164 22.618 1.00 0.00 O ATOM 677 CB LYS A 726 68.822 1.108 19.944 1.00 0.00 C ATOM 678 CG LYS A 726 68.129 -0.256 19.851 1.00 0.00 C ATOM 679 CD LYS A 726 68.676 -1.187 20.939 1.00 0.00 C ATOM 680 CE LYS A 726 67.913 -2.516 20.911 1.00 0.00 C ATOM 681 NZ LYS A 726 67.349 -2.796 22.261 1.00 0.00 N1+ ATOM 0 H LYS A 726 67.134 2.914 19.180 1.00 0.00 H new ATOM 0 HA LYS A 726 67.617 1.456 21.699 1.00 0.00 H new ATOM 0 HB2 LYS A 726 68.907 1.552 18.952 1.00 0.00 H new ATOM 0 HB3 LYS A 726 69.835 0.987 20.327 1.00 0.00 H new ATOM 0 HG2 LYS A 726 67.052 -0.137 19.968 1.00 0.00 H new ATOM 0 HG3 LYS A 726 68.296 -0.693 18.867 1.00 0.00 H new ATOM 0 HD2 LYS A 726 69.740 -1.364 20.779 1.00 0.00 H new ATOM 0 HD3 LYS A 726 68.574 -0.718 21.918 1.00 0.00 H new ATOM 0 HE2 LYS A 726 67.112 -2.472 20.173 1.00 0.00 H new ATOM 0 HE3 LYS A 726 68.580 -3.324 20.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 66.832 -3.698 22.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 68.122 -2.856 22.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 66.699 -2.030 22.531 1.00 0.00 H new ATOM 695 N GLN A 727 69.492 3.925 20.518 1.00 0.00 N ATOM 696 CA GLN A 727 70.416 4.985 20.911 1.00 0.00 C ATOM 697 C GLN A 727 70.090 6.278 20.170 1.00 0.00 C ATOM 698 O GLN A 727 69.966 7.337 20.786 1.00 0.00 O ATOM 699 CB GLN A 727 71.855 4.564 20.602 1.00 0.00 C ATOM 700 CG GLN A 727 72.359 3.615 21.696 1.00 0.00 C ATOM 701 CD GLN A 727 73.754 3.104 21.347 1.00 0.00 C ATOM 702 OE1 GLN A 727 74.080 1.950 21.626 1.00 0.00 O ATOM 703 NE2 GLN A 727 74.619 3.912 20.794 1.00 0.00 N ATOM 0 H GLN A 727 69.323 3.863 19.514 1.00 0.00 H new ATOM 0 HA GLN A 727 70.311 5.157 21.982 1.00 0.00 H new ATOM 0 HB2 GLN A 727 71.900 4.072 19.630 1.00 0.00 H new ATOM 0 HB3 GLN A 727 72.497 5.443 20.544 1.00 0.00 H new ATOM 0 HG2 GLN A 727 72.383 4.133 22.655 1.00 0.00 H new ATOM 0 HG3 GLN A 727 71.672 2.775 21.804 1.00 0.00 H new ATOM 0 HE21 GLN A 727 74.349 4.868 20.563 1.00 0.00 H new ATOM 0 HE22 GLN A 727 75.565 3.587 20.593 1.00 0.00 H new ATOM 712 N TYR A 728 69.750 6.142 18.891 1.00 0.00 N ATOM 713 CA TYR A 728 69.479 7.306 18.047 1.00 0.00 C ATOM 714 C TYR A 728 68.009 7.708 18.146 1.00 0.00 C ATOM 715 O TYR A 728 67.277 7.219 19.008 1.00 0.00 O ATOM 716 CB TYR A 728 69.832 7.007 16.581 1.00 0.00 C ATOM 717 CG TYR A 728 70.369 5.598 16.445 1.00 0.00 C ATOM 718 CD1 TYR A 728 71.710 5.326 16.744 1.00 0.00 C ATOM 719 CD2 TYR A 728 69.524 4.565 16.021 1.00 0.00 C ATOM 720 CE1 TYR A 728 72.170 4.004 16.740 1.00 0.00 C ATOM 721 CE2 TYR A 728 70.015 3.258 15.919 1.00 0.00 C ATOM 722 CZ TYR A 728 71.327 2.970 16.317 1.00 0.00 C ATOM 723 OH TYR A 728 71.825 1.692 16.170 1.00 0.00 O ATOM 0 H TYR A 728 69.656 5.244 18.417 1.00 0.00 H new ATOM 0 HA TYR A 728 70.100 8.129 18.400 1.00 0.00 H new ATOM 0 HB2 TYR A 728 68.948 7.128 15.955 1.00 0.00 H new ATOM 0 HB3 TYR A 728 70.574 7.722 16.226 1.00 0.00 H new ATOM 0 HD1 TYR A 728 72.387 6.134 16.977 1.00 0.00 H new ATOM 0 HD2 TYR A 728 68.494 4.776 15.773 1.00 0.00 H new ATOM 0 HE1 TYR A 728 73.176 3.782 17.064 1.00 0.00 H new ATOM 0 HE2 TYR A 728 69.383 2.472 15.534 1.00 0.00 H new ATOM 0 HH TYR A 728 71.109 1.094 15.871 1.00 0.00 H new TER 733 TYR A 728