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 Set 1.1: A 684 HIS : no HD1:sc= -1.68 X(o=-1.9,f=-2.3) USER MOD Set 1.2: A 685 HIS : no HD1:sc= -0.207 K(o=-1.9,f=-3.9) USER MOD Single : A 686 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0568) USER MOD Single : A 697 SER OG : rot 180:sc= 0 USER MOD Single : A 698 ASN : amide:sc= -4.07! C(o=-4.1!,f=-8.7!) USER MOD Single : A 699 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0419) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot -2:sc= 0.712 USER MOD Single : A 719 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) 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= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 74.289 12.412 -7.263 1.00 0.00 N ATOM 2 CA VAL A 683 73.330 11.584 -7.986 1.00 0.00 C ATOM 3 C VAL A 683 71.902 11.932 -7.571 1.00 0.00 C ATOM 4 O VAL A 683 71.602 12.029 -6.380 1.00 0.00 O ATOM 5 CB VAL A 683 73.602 10.101 -7.703 1.00 0.00 C ATOM 6 CG1 VAL A 683 72.662 9.235 -8.549 1.00 0.00 C ATOM 7 CG2 VAL A 683 75.056 9.768 -8.055 1.00 0.00 C ATOM 0 HA VAL A 683 73.442 11.776 -9.053 1.00 0.00 H new ATOM 0 HB VAL A 683 73.429 9.899 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 683 72.857 8.182 -8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 683 71.627 9.468 -8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 683 72.832 9.439 -9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 683 75.247 8.714 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 683 75.231 9.973 -9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 683 75.726 10.380 -7.451 1.00 0.00 H new ATOM 16 N HIS A 684 71.002 11.973 -8.551 1.00 0.00 N ATOM 17 CA HIS A 684 69.604 12.302 -8.287 1.00 0.00 C ATOM 18 C HIS A 684 68.770 11.030 -8.143 1.00 0.00 C ATOM 19 O HIS A 684 69.313 9.924 -8.120 1.00 0.00 O ATOM 20 CB HIS A 684 69.047 13.157 -9.430 1.00 0.00 C ATOM 21 CG HIS A 684 67.875 13.961 -8.937 1.00 0.00 C ATOM 22 ND1 HIS A 684 66.602 13.809 -9.464 1.00 0.00 N ATOM 23 CD2 HIS A 684 67.738 14.827 -7.879 1.00 0.00 C ATOM 24 CE1 HIS A 684 65.752 14.488 -8.675 1.00 0.00 C ATOM 25 NE2 HIS A 684 66.397 15.161 -7.718 1.00 0.00 N ATOM 0 H HIS A 684 71.215 11.783 -9.530 1.00 0.00 H new ATOM 0 HA HIS A 684 69.550 12.862 -7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 684 69.822 13.822 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 684 68.740 12.519 -10.258 1.00 0.00 H new ATOM 0 HD2 HIS A 684 68.548 15.193 -7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 684 64.679 14.489 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 684 65.993 15.785 -7.020 1.00 0.00 H new ATOM 33 N HIS A 685 67.471 11.204 -7.909 1.00 0.00 N ATOM 34 CA HIS A 685 66.552 10.072 -7.837 1.00 0.00 C ATOM 35 C HIS A 685 65.470 10.184 -8.909 1.00 0.00 C ATOM 36 O HIS A 685 65.289 11.247 -9.506 1.00 0.00 O ATOM 37 CB HIS A 685 65.902 10.017 -6.450 1.00 0.00 C ATOM 38 CG HIS A 685 64.934 11.160 -6.297 1.00 0.00 C ATOM 39 ND1 HIS A 685 65.360 12.477 -6.221 1.00 0.00 N ATOM 40 CD2 HIS A 685 63.567 11.223 -6.425 1.00 0.00 C ATOM 41 CE1 HIS A 685 64.265 13.238 -6.056 1.00 0.00 C ATOM 42 NE2 HIS A 685 63.151 12.547 -6.306 1.00 0.00 N ATOM 0 H HIS A 685 67.033 12.114 -7.767 1.00 0.00 H new ATOM 0 HA HIS A 685 67.118 9.157 -8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 685 65.382 9.068 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 685 66.668 10.071 -5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 685 62.916 10.377 -6.592 1.00 0.00 H new ATOM 0 HE1 HIS A 685 64.284 14.276 -5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 685 62.201 12.910 -6.391 1.00 0.00 H new ATOM 50 N GLN A 686 64.622 9.160 -8.986 1.00 0.00 N ATOM 51 CA GLN A 686 63.503 9.167 -9.922 1.00 0.00 C ATOM 52 C GLN A 686 62.346 8.333 -9.375 1.00 0.00 C ATOM 53 O GLN A 686 62.256 7.134 -9.643 1.00 0.00 O ATOM 54 CB GLN A 686 63.956 8.607 -11.277 1.00 0.00 C ATOM 55 CG GLN A 686 62.880 8.880 -12.334 1.00 0.00 C ATOM 56 CD GLN A 686 63.358 8.418 -13.710 1.00 0.00 C ATOM 57 OE1 GLN A 686 62.610 8.499 -14.684 1.00 0.00 O ATOM 58 NE2 GLN A 686 64.567 7.944 -13.853 1.00 0.00 N ATOM 0 H GLN A 686 64.689 8.319 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 686 63.161 10.194 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 686 64.898 9.068 -11.575 1.00 0.00 H new ATOM 0 HB3 GLN A 686 64.137 7.535 -11.196 1.00 0.00 H new ATOM 0 HG2 GLN A 686 61.959 8.360 -12.068 1.00 0.00 H new ATOM 0 HG3 GLN A 686 62.649 9.945 -12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 686 65.187 7.877 -13.046 1.00 0.00 H new ATOM 0 HE22 GLN A 686 64.891 7.641 -14.772 1.00 0.00 H new ATOM 67 N LYS A 687 61.607 8.918 -8.433 1.00 0.00 N ATOM 68 CA LYS A 687 60.470 8.233 -7.822 1.00 0.00 C ATOM 69 C LYS A 687 59.168 8.633 -8.513 1.00 0.00 C ATOM 70 O LYS A 687 58.082 8.270 -8.058 1.00 0.00 O ATOM 71 CB LYS A 687 60.394 8.580 -6.329 1.00 0.00 C ATOM 72 CG LYS A 687 60.653 7.322 -5.493 1.00 0.00 C ATOM 73 CD LYS A 687 60.438 7.637 -4.007 1.00 0.00 C ATOM 74 CE LYS A 687 59.400 6.674 -3.420 1.00 0.00 C ATOM 75 NZ LYS A 687 59.962 5.294 -3.388 1.00 0.00 N1+ ATOM 0 H LYS A 687 61.774 9.860 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 687 60.609 7.158 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 687 61.129 9.347 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 687 59.413 8.991 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 687 59.983 6.521 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 687 61.671 6.968 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 687 61.380 7.546 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 687 60.101 8.667 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 687 59.125 6.989 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 687 58.490 6.693 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 59.358 4.687 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 59.998 4.911 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 60.922 5.319 -2.990 1.00 0.00 H new ATOM 89 N LEU A 688 59.296 9.159 -9.729 1.00 0.00 N ATOM 90 CA LEU A 688 58.130 9.483 -10.544 1.00 0.00 C ATOM 91 C LEU A 688 57.438 8.209 -11.026 1.00 0.00 C ATOM 92 O LEU A 688 56.237 8.218 -11.300 1.00 0.00 O ATOM 93 CB LEU A 688 58.560 10.325 -11.752 1.00 0.00 C ATOM 94 CG LEU A 688 58.345 11.814 -11.448 1.00 0.00 C ATOM 95 CD1 LEU A 688 59.152 12.212 -10.206 1.00 0.00 C ATOM 96 CD2 LEU A 688 58.803 12.653 -12.645 1.00 0.00 C ATOM 0 H LEU A 688 60.192 9.369 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 688 57.428 10.051 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 688 59.609 10.139 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 688 57.985 10.037 -12.632 1.00 0.00 H new ATOM 0 HG LEU A 688 57.286 11.993 -11.262 1.00 0.00 H new ATOM 0 HD11 LEU A 688 58.996 13.270 -9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 688 58.823 11.619 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 688 60.211 12.031 -10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 688 58.650 13.710 -12.428 1.00 0.00 H new ATOM 0 HD22 LEU A 688 59.861 12.471 -12.834 1.00 0.00 H new ATOM 0 HD23 LEU A 688 58.224 12.376 -13.526 1.00 0.00 H new ATOM 108 N VAL A 689 58.146 7.086 -10.921 1.00 0.00 N ATOM 109 CA VAL A 689 57.587 5.795 -11.314 1.00 0.00 C ATOM 110 C VAL A 689 56.704 5.224 -10.205 1.00 0.00 C ATOM 111 O VAL A 689 56.164 4.125 -10.334 1.00 0.00 O ATOM 112 CB VAL A 689 58.718 4.807 -11.630 1.00 0.00 C ATOM 113 CG1 VAL A 689 59.604 5.380 -12.741 1.00 0.00 C ATOM 114 CG2 VAL A 689 59.564 4.567 -10.373 1.00 0.00 C ATOM 0 H VAL A 689 59.102 7.044 -10.569 1.00 0.00 H new ATOM 0 HA VAL A 689 56.976 5.946 -12.204 1.00 0.00 H new ATOM 0 HB VAL A 689 58.287 3.862 -11.959 1.00 0.00 H new ATOM 0 HG11 VAL A 689 60.407 4.678 -12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 689 59.005 5.543 -13.637 1.00 0.00 H new ATOM 0 HG13 VAL A 689 60.032 6.327 -12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 689 60.366 3.865 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 689 59.993 5.511 -10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 689 58.935 4.154 -9.584 1.00 0.00 H new ATOM 124 N PHE A 690 56.595 5.960 -9.100 1.00 0.00 N ATOM 125 CA PHE A 690 55.777 5.519 -7.975 1.00 0.00 C ATOM 126 C PHE A 690 54.293 5.623 -8.315 1.00 0.00 C ATOM 127 O PHE A 690 53.496 4.779 -7.905 1.00 0.00 O ATOM 128 CB PHE A 690 56.084 6.377 -6.743 1.00 0.00 C ATOM 129 CG PHE A 690 55.482 5.734 -5.515 1.00 0.00 C ATOM 130 CD1 PHE A 690 56.158 4.691 -4.870 1.00 0.00 C ATOM 131 CD2 PHE A 690 54.195 6.096 -5.097 1.00 0.00 C ATOM 132 CE1 PHE A 690 55.552 4.016 -3.803 1.00 0.00 C ATOM 133 CE2 PHE A 690 53.592 5.427 -4.026 1.00 0.00 C ATOM 134 CZ PHE A 690 54.277 4.399 -3.367 1.00 0.00 C ATOM 0 H PHE A 690 57.060 6.857 -8.961 1.00 0.00 H new ATOM 0 HA PHE A 690 56.014 4.477 -7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 690 57.162 6.482 -6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 690 55.679 7.380 -6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 690 57.148 4.407 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 690 53.668 6.892 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 690 56.067 3.201 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 690 52.598 5.704 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 690 53.823 3.902 -2.523 1.00 0.00 H new ATOM 144 N PHE A 691 53.963 6.556 -9.205 1.00 0.00 N ATOM 145 CA PHE A 691 52.581 6.734 -9.641 1.00 0.00 C ATOM 146 C PHE A 691 52.229 5.741 -10.747 1.00 0.00 C ATOM 147 O PHE A 691 51.111 5.752 -11.263 1.00 0.00 O ATOM 148 CB PHE A 691 52.377 8.164 -10.152 1.00 0.00 C ATOM 149 CG PHE A 691 52.600 9.144 -9.022 1.00 0.00 C ATOM 150 CD1 PHE A 691 53.902 9.498 -8.647 1.00 0.00 C ATOM 151 CD2 PHE A 691 51.504 9.702 -8.350 1.00 0.00 C ATOM 152 CE1 PHE A 691 54.109 10.294 -7.516 1.00 0.00 C ATOM 153 CE2 PHE A 691 51.714 10.592 -7.290 1.00 0.00 C ATOM 154 CZ PHE A 691 53.017 10.873 -6.859 1.00 0.00 C ATOM 0 H PHE A 691 54.629 7.197 -9.636 1.00 0.00 H new ATOM 0 HA PHE A 691 51.926 6.553 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 691 53.069 8.371 -10.968 1.00 0.00 H new ATOM 0 HB3 PHE A 691 51.369 8.278 -10.552 1.00 0.00 H new ATOM 0 HD1 PHE A 691 54.745 9.157 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 691 50.499 9.446 -8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 691 55.111 10.462 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 691 50.871 11.062 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 691 53.179 11.535 -6.021 1.00 0.00 H new ATOM 164 N ALA A 692 53.130 4.792 -10.993 1.00 0.00 N ATOM 165 CA ALA A 692 52.902 3.777 -12.017 1.00 0.00 C ATOM 166 C ALA A 692 51.865 2.759 -11.549 1.00 0.00 C ATOM 167 O ALA A 692 51.303 2.018 -12.356 1.00 0.00 O ATOM 168 CB ALA A 692 54.214 3.057 -12.340 1.00 0.00 C ATOM 0 H ALA A 692 54.019 4.705 -10.500 1.00 0.00 H new ATOM 0 HA ALA A 692 52.527 4.273 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 692 54.036 2.301 -13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 692 54.944 3.778 -12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.597 2.578 -11.439 1.00 0.00 H new ATOM 174 N GLU A 693 51.587 2.754 -10.246 1.00 0.00 N ATOM 175 CA GLU A 693 50.646 1.796 -9.673 1.00 0.00 C ATOM 176 C GLU A 693 49.219 2.102 -10.124 1.00 0.00 C ATOM 177 O GLU A 693 48.321 1.275 -9.956 1.00 0.00 O ATOM 178 CB GLU A 693 50.718 1.845 -8.144 1.00 0.00 C ATOM 179 CG GLU A 693 52.154 1.573 -7.682 1.00 0.00 C ATOM 180 CD GLU A 693 52.154 1.043 -6.248 1.00 0.00 C ATOM 181 OE1 GLU A 693 51.720 1.769 -5.368 1.00 0.00 O ATOM 182 OE2 GLU A 693 52.648 -0.054 -6.044 1.00 0.00 O1- ATOM 0 H GLU A 693 51.998 3.399 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 693 50.918 0.800 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 693 50.390 2.821 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 693 50.042 1.105 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 693 52.627 0.849 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 693 52.742 2.489 -7.739 1.00 0.00 H new ATOM 189 N ASP A 694 49.065 3.191 -10.875 1.00 0.00 N ATOM 190 CA ASP A 694 47.747 3.614 -11.339 1.00 0.00 C ATOM 191 C ASP A 694 47.219 2.664 -12.411 1.00 0.00 C ATOM 192 O ASP A 694 46.035 2.695 -12.749 1.00 0.00 O ATOM 193 CB ASP A 694 47.827 5.034 -11.910 1.00 0.00 C ATOM 194 CG ASP A 694 46.606 5.844 -11.481 1.00 0.00 C ATOM 195 OD1 ASP A 694 45.514 5.511 -11.912 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 46.787 6.818 -10.766 1.00 0.00 O ATOM 0 H ASP A 694 49.832 3.793 -11.173 1.00 0.00 H new ATOM 0 HA ASP A 694 47.064 3.598 -10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 694 48.737 5.523 -11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 694 47.882 4.994 -12.998 1.00 0.00 H new ATOM 201 N VAL A 695 48.115 1.861 -12.977 1.00 0.00 N ATOM 202 CA VAL A 695 47.719 0.862 -13.963 1.00 0.00 C ATOM 203 C VAL A 695 46.769 -0.166 -13.349 1.00 0.00 C ATOM 204 O VAL A 695 46.107 -0.915 -14.068 1.00 0.00 O ATOM 205 CB VAL A 695 48.963 0.153 -14.514 1.00 0.00 C ATOM 206 CG1 VAL A 695 49.888 1.182 -15.173 1.00 0.00 C ATOM 207 CG2 VAL A 695 49.713 -0.545 -13.372 1.00 0.00 C ATOM 0 H VAL A 695 49.114 1.882 -12.771 1.00 0.00 H new ATOM 0 HA VAL A 695 47.198 1.370 -14.775 1.00 0.00 H new ATOM 0 HB VAL A 695 48.655 -0.589 -15.251 1.00 0.00 H new ATOM 0 HG11 VAL A 695 50.772 0.679 -15.565 1.00 0.00 H new ATOM 0 HG12 VAL A 695 49.360 1.676 -15.989 1.00 0.00 H new ATOM 0 HG13 VAL A 695 50.191 1.925 -14.435 1.00 0.00 H new ATOM 0 HG21 VAL A 695 50.595 -1.047 -13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 695 50.019 0.195 -12.632 1.00 0.00 H new ATOM 0 HG23 VAL A 695 49.059 -1.279 -12.902 1.00 0.00 H new ATOM 217 N GLY A 696 46.795 -0.276 -12.022 1.00 0.00 N ATOM 218 CA GLY A 696 45.909 -1.202 -11.323 1.00 0.00 C ATOM 219 C GLY A 696 44.467 -0.701 -11.343 1.00 0.00 C ATOM 220 O GLY A 696 44.057 -0.006 -12.276 1.00 0.00 O ATOM 0 H GLY A 696 47.415 0.260 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 696 45.963 -2.185 -11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 696 46.242 -1.321 -10.292 1.00 0.00 H new ATOM 224 N SER A 697 43.673 -1.162 -10.376 1.00 0.00 N ATOM 225 CA SER A 697 42.261 -0.791 -10.304 1.00 0.00 C ATOM 226 C SER A 697 41.858 -0.484 -8.861 1.00 0.00 C ATOM 227 O SER A 697 41.957 0.660 -8.415 1.00 0.00 O ATOM 228 CB SER A 697 41.392 -1.928 -10.855 1.00 0.00 C ATOM 229 OG SER A 697 41.570 -2.026 -12.261 1.00 0.00 O ATOM 0 H SER A 697 43.983 -1.791 -9.635 1.00 0.00 H new ATOM 0 HA SER A 697 42.108 0.104 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 697 41.662 -2.870 -10.378 1.00 0.00 H new ATOM 0 HB3 SER A 697 40.343 -1.743 -10.623 1.00 0.00 H new ATOM 0 HG SER A 697 41.015 -2.754 -12.611 1.00 0.00 H new ATOM 235 N ASN A 698 41.488 -1.525 -8.114 1.00 0.00 N ATOM 236 CA ASN A 698 40.935 -1.342 -6.773 1.00 0.00 C ATOM 237 C ASN A 698 41.243 -2.559 -5.895 1.00 0.00 C ATOM 238 O ASN A 698 42.389 -2.761 -5.490 1.00 0.00 O ATOM 239 CB ASN A 698 39.418 -1.107 -6.851 1.00 0.00 C ATOM 240 CG ASN A 698 38.736 -2.235 -7.624 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.107 -2.526 -8.761 1.00 0.00 O ATOM 242 ND2 ASN A 698 37.704 -2.840 -7.099 1.00 0.00 N ATOM 0 H ASN A 698 41.561 -2.497 -8.413 1.00 0.00 H new ATOM 0 HA ASN A 698 41.401 -0.466 -6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 698 39.002 -1.045 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.217 -0.153 -7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.206 -3.553 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 698 37.396 -2.599 -6.157 1.00 0.00 H new ATOM 249 N LYS A 699 40.207 -3.324 -5.546 1.00 0.00 N ATOM 250 CA LYS A 699 40.387 -4.527 -4.738 1.00 0.00 C ATOM 251 C LYS A 699 41.411 -5.461 -5.373 1.00 0.00 C ATOM 252 O LYS A 699 42.326 -5.932 -4.701 1.00 0.00 O ATOM 253 CB LYS A 699 39.050 -5.261 -4.590 1.00 0.00 C ATOM 254 CG LYS A 699 38.283 -4.693 -3.392 1.00 0.00 C ATOM 255 CD LYS A 699 38.744 -5.392 -2.108 1.00 0.00 C ATOM 256 CE LYS A 699 37.933 -6.675 -1.904 1.00 0.00 C ATOM 257 NZ LYS A 699 36.603 -6.332 -1.327 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.241 -3.132 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 699 40.751 -4.226 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.459 -5.149 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.223 -6.328 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 699 38.453 -3.619 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 699 37.212 -4.837 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 699 39.806 -5.627 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 699 38.615 -4.728 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 699 37.807 -7.194 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 699 38.466 -7.354 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 36.290 -7.097 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 36.677 -5.446 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 35.912 -6.212 -2.095 1.00 0.00 H new ATOM 271 N GLY A 700 41.346 -5.590 -6.696 1.00 0.00 N ATOM 272 CA GLY A 700 42.238 -6.498 -7.411 1.00 0.00 C ATOM 273 C GLY A 700 43.680 -5.999 -7.359 1.00 0.00 C ATOM 274 O GLY A 700 44.618 -6.796 -7.403 1.00 0.00 O ATOM 0 H GLY A 700 40.691 -5.082 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.178 -7.494 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.917 -6.587 -8.449 1.00 0.00 H new ATOM 278 N ALA A 701 43.839 -4.714 -7.047 1.00 0.00 N ATOM 279 CA ALA A 701 45.166 -4.117 -6.946 1.00 0.00 C ATOM 280 C ALA A 701 45.865 -4.557 -5.661 1.00 0.00 C ATOM 281 O ALA A 701 47.088 -4.467 -5.554 1.00 0.00 O ATOM 282 CB ALA A 701 45.054 -2.590 -6.972 1.00 0.00 C ATOM 0 H ALA A 701 43.069 -4.071 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 701 45.758 -4.455 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.049 -2.151 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.589 -2.275 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.445 -2.256 -6.132 1.00 0.00 H new ATOM 288 N ILE A 702 45.098 -5.135 -4.735 1.00 0.00 N ATOM 289 CA ILE A 702 45.671 -5.658 -3.497 1.00 0.00 C ATOM 290 C ILE A 702 46.749 -6.694 -3.802 1.00 0.00 C ATOM 291 O ILE A 702 47.840 -6.647 -3.235 1.00 0.00 O ATOM 292 CB ILE A 702 44.572 -6.295 -2.634 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.112 -6.538 -1.218 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.133 -7.629 -3.253 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.052 -7.253 -0.374 1.00 0.00 C ATOM 0 H ILE A 702 44.088 -5.251 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 702 46.123 -4.830 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 702 43.715 -5.623 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.020 -7.139 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.381 -5.589 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.353 -8.077 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.747 -7.454 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.987 -8.304 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.440 -7.423 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.155 -6.636 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.805 -8.210 -0.834 1.00 0.00 H new ATOM 307 N ILE A 703 46.504 -7.493 -4.838 1.00 0.00 N ATOM 308 CA ILE A 703 47.427 -8.561 -5.209 1.00 0.00 C ATOM 309 C ILE A 703 48.720 -7.974 -5.764 1.00 0.00 C ATOM 310 O ILE A 703 49.812 -8.373 -5.360 1.00 0.00 O ATOM 311 CB ILE A 703 46.784 -9.468 -6.265 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.371 -9.864 -5.818 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.642 -10.726 -6.447 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.767 -10.849 -6.824 1.00 0.00 C ATOM 0 H ILE A 703 45.678 -7.421 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 703 47.654 -9.147 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 703 46.721 -8.933 -7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.406 -10.317 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.742 -8.977 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.186 -11.372 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.642 -10.440 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.708 -11.261 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.763 -11.128 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.716 -10.380 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.391 -11.741 -6.879 1.00 0.00 H new ATOM 326 N GLY A 704 48.584 -6.897 -6.533 1.00 0.00 N ATOM 327 CA GLY A 704 49.746 -6.196 -7.066 1.00 0.00 C ATOM 328 C GLY A 704 50.516 -5.500 -5.948 1.00 0.00 C ATOM 329 O GLY A 704 51.723 -5.697 -5.799 1.00 0.00 O ATOM 0 H GLY A 704 47.686 -6.493 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.399 -6.902 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.426 -5.462 -7.806 1.00 0.00 H new ATOM 333 N LEU A 705 49.778 -4.819 -5.073 1.00 0.00 N ATOM 334 CA LEU A 705 50.387 -4.085 -3.968 1.00 0.00 C ATOM 335 C LEU A 705 51.029 -5.045 -2.972 1.00 0.00 C ATOM 336 O LEU A 705 51.949 -4.669 -2.246 1.00 0.00 O ATOM 337 CB LEU A 705 49.322 -3.247 -3.252 1.00 0.00 C ATOM 338 CG LEU A 705 48.807 -2.147 -4.188 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.611 -1.447 -3.538 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.918 -1.126 -4.445 1.00 0.00 C ATOM 0 H LEU A 705 48.760 -4.761 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 705 51.159 -3.431 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.496 -3.885 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.743 -2.802 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 705 48.501 -2.591 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.243 -0.664 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.818 -2.173 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 705 47.919 -1.004 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.548 -0.346 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.228 -0.680 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.770 -1.624 -4.908 1.00 0.00 H new ATOM 352 N MET A 706 50.476 -6.253 -2.879 1.00 0.00 N ATOM 353 CA MET A 706 50.999 -7.257 -1.957 1.00 0.00 C ATOM 354 C MET A 706 52.348 -7.777 -2.443 1.00 0.00 C ATOM 355 O MET A 706 53.361 -7.614 -1.762 1.00 0.00 O ATOM 356 CB MET A 706 50.013 -8.423 -1.833 1.00 0.00 C ATOM 357 CG MET A 706 49.010 -8.132 -0.712 1.00 0.00 C ATOM 358 SD MET A 706 49.753 -8.549 0.887 1.00 0.00 S ATOM 359 CE MET A 706 48.927 -7.266 1.860 1.00 0.00 C ATOM 0 H MET A 706 49.672 -6.558 -3.427 1.00 0.00 H new ATOM 0 HA MET A 706 51.131 -6.791 -0.980 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.487 -8.569 -2.776 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.552 -9.347 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 706 48.724 -7.080 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 706 48.100 -8.712 -0.864 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.244 -7.338 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 706 49.191 -6.284 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 706 47.847 -7.402 1.800 1.00 0.00 H new ATOM 369 N VAL A 707 52.388 -8.191 -3.707 1.00 0.00 N ATOM 370 CA VAL A 707 53.606 -8.753 -4.281 1.00 0.00 C ATOM 371 C VAL A 707 54.666 -7.668 -4.456 1.00 0.00 C ATOM 372 O VAL A 707 55.821 -7.853 -4.070 1.00 0.00 O ATOM 373 CB VAL A 707 53.301 -9.400 -5.638 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.579 -10.032 -6.199 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.227 -10.483 -5.468 1.00 0.00 C ATOM 0 H VAL A 707 51.597 -8.148 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 707 53.988 -9.512 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 707 52.936 -8.638 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.364 -10.492 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.340 -9.262 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.943 -10.792 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.014 -10.939 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.586 -11.246 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.317 -10.034 -5.071 1.00 0.00 H new ATOM 385 N GLY A 708 54.228 -6.487 -4.887 1.00 0.00 N ATOM 386 CA GLY A 708 55.137 -5.356 -5.050 1.00 0.00 C ATOM 387 C GLY A 708 55.451 -4.704 -3.705 1.00 0.00 C ATOM 388 O GLY A 708 56.330 -3.847 -3.613 1.00 0.00 O ATOM 0 H GLY A 708 53.257 -6.289 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.061 -5.693 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.691 -4.620 -5.719 1.00 0.00 H new ATOM 392 N GLY A 709 54.764 -5.156 -2.656 1.00 0.00 N ATOM 393 CA GLY A 709 54.860 -4.509 -1.351 1.00 0.00 C ATOM 394 C GLY A 709 56.078 -5.007 -0.580 1.00 0.00 C ATOM 395 O GLY A 709 56.326 -4.579 0.548 1.00 0.00 O ATOM 0 H GLY A 709 54.140 -5.962 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 709 54.925 -3.429 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 709 53.956 -4.707 -0.776 1.00 0.00 H new ATOM 399 N VAL A 710 56.889 -5.834 -1.237 1.00 0.00 N ATOM 400 CA VAL A 710 58.023 -6.472 -0.575 1.00 0.00 C ATOM 401 C VAL A 710 59.106 -5.447 -0.254 1.00 0.00 C ATOM 402 O VAL A 710 59.683 -5.464 0.834 1.00 0.00 O ATOM 403 CB VAL A 710 58.605 -7.573 -1.472 1.00 0.00 C ATOM 404 CG1 VAL A 710 57.574 -8.695 -1.640 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.962 -6.991 -2.846 1.00 0.00 C ATOM 0 H VAL A 710 56.782 -6.077 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 710 57.671 -6.913 0.357 1.00 0.00 H new ATOM 0 HB VAL A 710 59.506 -7.974 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 710 57.988 -9.477 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.330 -9.114 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 710 56.671 -8.293 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.375 -7.777 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.065 -6.583 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.700 -6.198 -2.725 1.00 0.00 H new ATOM 415 N VAL A 711 59.265 -4.468 -1.141 1.00 0.00 N ATOM 416 CA VAL A 711 60.285 -3.441 -0.959 1.00 0.00 C ATOM 417 C VAL A 711 59.825 -2.412 0.069 1.00 0.00 C ATOM 418 O VAL A 711 60.564 -2.088 0.999 1.00 0.00 O ATOM 419 CB VAL A 711 60.573 -2.743 -2.294 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.859 -1.919 -2.174 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.741 -3.794 -3.398 1.00 0.00 C ATOM 0 H VAL A 711 58.705 -4.365 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 711 61.196 -3.918 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 711 59.741 -2.084 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.063 -1.423 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.739 -1.170 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.691 -2.577 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.946 -3.296 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.571 -4.454 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 711 59.826 -4.379 -3.486 1.00 0.00 H new ATOM 431 N ILE A 712 58.534 -2.093 0.032 1.00 0.00 N ATOM 432 CA ILE A 712 57.953 -1.174 1.005 1.00 0.00 C ATOM 433 C ILE A 712 57.932 -1.809 2.394 1.00 0.00 C ATOM 434 O ILE A 712 58.243 -1.149 3.385 1.00 0.00 O ATOM 435 CB ILE A 712 56.526 -0.799 0.585 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.567 -0.063 -0.761 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.900 0.110 1.649 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.179 -0.088 -1.408 1.00 0.00 C ATOM 0 H ILE A 712 57.874 -2.455 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 712 58.566 -0.274 1.040 1.00 0.00 H new ATOM 0 HB ILE A 712 55.927 -1.704 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.891 0.967 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.295 -0.534 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.886 0.376 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.871 -0.415 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.498 1.016 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.213 0.436 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.872 -1.121 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.462 0.404 -0.750 1.00 0.00 H new ATOM 450 N ALA A 713 57.764 -3.129 2.432 1.00 0.00 N ATOM 451 CA ALA A 713 57.771 -3.855 3.697 1.00 0.00 C ATOM 452 C ALA A 713 59.099 -3.657 4.421 1.00 0.00 C ATOM 453 O ALA A 713 59.141 -3.011 5.467 1.00 0.00 O ATOM 454 CB ALA A 713 57.538 -5.348 3.448 1.00 0.00 C ATOM 0 H ALA A 713 57.622 -3.713 1.608 1.00 0.00 H new ATOM 0 HA ALA A 713 56.968 -3.464 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.545 -5.881 4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.574 -5.489 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.329 -5.738 2.808 1.00 0.00 H new ATOM 460 N THR A 714 60.189 -3.937 3.708 1.00 0.00 N ATOM 461 CA THR A 714 61.520 -3.893 4.308 1.00 0.00 C ATOM 462 C THR A 714 61.867 -2.472 4.746 1.00 0.00 C ATOM 463 O THR A 714 62.441 -2.273 5.816 1.00 0.00 O ATOM 464 CB THR A 714 62.563 -4.388 3.300 1.00 0.00 C ATOM 465 OG1 THR A 714 62.423 -3.673 2.080 1.00 0.00 O ATOM 466 CG2 THR A 714 62.356 -5.883 3.040 1.00 0.00 C ATOM 0 H THR A 714 60.177 -4.195 2.721 1.00 0.00 H new ATOM 0 HA THR A 714 61.524 -4.541 5.185 1.00 0.00 H new ATOM 0 HB THR A 714 63.562 -4.224 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.666 -3.054 2.148 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.098 -6.234 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.466 -6.433 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.357 -6.047 2.637 1.00 0.00 H new ATOM 474 N VAL A 715 61.329 -1.493 4.024 1.00 0.00 N ATOM 475 CA VAL A 715 61.571 -0.090 4.344 1.00 0.00 C ATOM 476 C VAL A 715 60.900 0.279 5.665 1.00 0.00 C ATOM 477 O VAL A 715 61.577 0.647 6.626 1.00 0.00 O ATOM 478 CB VAL A 715 61.027 0.799 3.219 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.201 2.276 3.592 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.787 0.505 1.921 1.00 0.00 C ATOM 0 H VAL A 715 60.725 -1.645 3.216 1.00 0.00 H new ATOM 0 HA VAL A 715 62.645 0.067 4.442 1.00 0.00 H new ATOM 0 HB VAL A 715 59.967 0.588 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.813 2.902 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.655 2.486 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.259 2.491 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.400 1.137 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.847 0.711 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.655 -0.543 1.651 1.00 0.00 H new ATOM 490 N ILE A 716 59.622 -0.073 5.777 1.00 0.00 N ATOM 491 CA ILE A 716 58.852 0.230 6.979 1.00 0.00 C ATOM 492 C ILE A 716 59.323 -0.640 8.145 1.00 0.00 C ATOM 493 O ILE A 716 59.447 -0.162 9.273 1.00 0.00 O ATOM 494 CB ILE A 716 57.356 -0.008 6.704 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.714 1.283 6.177 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.642 -0.432 7.993 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.408 1.727 4.886 1.00 0.00 C ATOM 0 H ILE A 716 59.100 -0.566 5.053 1.00 0.00 H new ATOM 0 HA ILE A 716 59.005 1.275 7.248 1.00 0.00 H new ATOM 0 HB ILE A 716 57.259 -0.799 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.652 1.121 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.789 2.069 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.585 -0.597 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.087 -1.353 8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.746 0.353 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.945 2.644 4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.464 1.908 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.309 0.945 4.133 1.00 0.00 H new ATOM 509 N VAL A 717 59.730 -1.869 7.832 1.00 0.00 N ATOM 510 CA VAL A 717 60.150 -2.815 8.862 1.00 0.00 C ATOM 511 C VAL A 717 61.504 -2.410 9.437 1.00 0.00 C ATOM 512 O VAL A 717 61.726 -2.498 10.645 1.00 0.00 O ATOM 513 CB VAL A 717 60.243 -4.227 8.267 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.857 -5.183 9.296 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.841 -4.718 7.888 1.00 0.00 C ATOM 0 H VAL A 717 59.778 -2.231 6.879 1.00 0.00 H new ATOM 0 HA VAL A 717 59.411 -2.808 9.663 1.00 0.00 H new ATOM 0 HB VAL A 717 60.873 -4.201 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.921 -6.184 8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.856 -4.838 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.231 -5.208 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.908 -5.721 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.211 -4.740 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.406 -4.043 7.151 1.00 0.00 H new ATOM 525 N ILE A 718 62.435 -2.067 8.550 1.00 0.00 N ATOM 526 CA ILE A 718 63.730 -1.544 8.972 1.00 0.00 C ATOM 527 C ILE A 718 63.546 -0.338 9.890 1.00 0.00 C ATOM 528 O ILE A 718 64.154 -0.266 10.958 1.00 0.00 O ATOM 529 CB ILE A 718 64.555 -1.143 7.738 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.151 -2.400 7.085 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.683 -0.186 8.148 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.356 -2.899 7.892 1.00 0.00 C ATOM 0 H ILE A 718 62.317 -2.142 7.540 1.00 0.00 H new ATOM 0 HA ILE A 718 64.260 -2.321 9.523 1.00 0.00 H new ATOM 0 HB ILE A 718 63.905 -0.638 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.394 -3.182 7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.457 -2.177 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.262 0.093 7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.255 0.709 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.334 -0.679 8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.768 -3.790 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 718 67.118 -2.121 7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.039 -3.142 8.906 1.00 0.00 H new ATOM 544 N THR A 719 62.595 0.525 9.540 1.00 0.00 N ATOM 545 CA THR A 719 62.302 1.698 10.358 1.00 0.00 C ATOM 546 C THR A 719 61.736 1.279 11.711 1.00 0.00 C ATOM 547 O THR A 719 62.131 1.812 12.748 1.00 0.00 O ATOM 548 CB THR A 719 61.293 2.600 9.640 1.00 0.00 C ATOM 549 OG1 THR A 719 61.708 2.801 8.298 1.00 0.00 O ATOM 550 CG2 THR A 719 61.209 3.952 10.357 1.00 0.00 C ATOM 0 H THR A 719 62.019 0.435 8.703 1.00 0.00 H new ATOM 0 HA THR A 719 63.231 2.246 10.517 1.00 0.00 H new ATOM 0 HB THR A 719 60.312 2.124 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.471 2.016 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.491 4.592 9.844 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.887 3.798 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.189 4.429 10.350 1.00 0.00 H new ATOM 558 N LEU A 720 60.937 0.216 11.702 1.00 0.00 N ATOM 559 CA LEU A 720 60.267 -0.240 12.914 1.00 0.00 C ATOM 560 C LEU A 720 61.286 -0.719 13.944 1.00 0.00 C ATOM 561 O LEU A 720 61.008 -0.735 15.143 1.00 0.00 O ATOM 562 CB LEU A 720 59.304 -1.384 12.576 1.00 0.00 C ATOM 563 CG LEU A 720 57.868 -0.971 12.918 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.896 -2.041 12.410 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.719 -0.820 14.438 1.00 0.00 C ATOM 0 H LEU A 720 60.739 -0.343 10.872 1.00 0.00 H new ATOM 0 HA LEU A 720 59.709 0.596 13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.378 -1.634 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.578 -2.279 13.134 1.00 0.00 H new ATOM 0 HG LEU A 720 57.643 -0.018 12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.874 -1.749 12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.998 -2.142 11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.123 -2.995 12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.697 -0.526 14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.946 -1.770 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.409 -0.056 14.797 1.00 0.00 H new ATOM 577 N VAL A 721 62.423 -1.212 13.457 1.00 0.00 N ATOM 578 CA VAL A 721 63.498 -1.654 14.340 1.00 0.00 C ATOM 579 C VAL A 721 63.960 -0.505 15.233 1.00 0.00 C ATOM 580 O VAL A 721 63.892 -0.603 16.459 1.00 0.00 O ATOM 581 CB VAL A 721 64.680 -2.172 13.509 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.822 -2.588 14.442 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.236 -3.380 12.675 1.00 0.00 C ATOM 0 H VAL A 721 62.622 -1.315 12.462 1.00 0.00 H new ATOM 0 HA VAL A 721 63.121 -2.460 14.970 1.00 0.00 H new ATOM 0 HB VAL A 721 65.025 -1.380 12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.660 -2.955 13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.143 -1.728 15.030 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.477 -3.377 15.111 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.078 -3.745 12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.887 -4.171 13.338 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.428 -3.083 12.007 1.00 0.00 H new ATOM 593 N MET A 722 64.186 0.652 14.613 1.00 0.00 N ATOM 594 CA MET A 722 64.698 1.813 15.336 1.00 0.00 C ATOM 595 C MET A 722 63.584 2.473 16.144 1.00 0.00 C ATOM 596 O MET A 722 63.829 3.026 17.217 1.00 0.00 O ATOM 597 CB MET A 722 65.284 2.829 14.348 1.00 0.00 C ATOM 598 CG MET A 722 66.590 2.286 13.757 1.00 0.00 C ATOM 599 SD MET A 722 67.402 3.593 12.799 1.00 0.00 S ATOM 600 CE MET A 722 68.864 2.651 12.295 1.00 0.00 C ATOM 0 H MET A 722 64.024 0.809 13.618 1.00 0.00 H new ATOM 0 HA MET A 722 65.479 1.477 16.018 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.569 3.028 13.550 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.469 3.776 14.854 1.00 0.00 H new ATOM 0 HG2 MET A 722 67.248 1.941 14.555 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.384 1.426 13.120 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.510 3.281 11.684 1.00 0.00 H new ATOM 0 HE2 MET A 722 69.409 2.323 13.180 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.554 1.781 11.716 1.00 0.00 H new ATOM 610 N LEU A 723 62.353 2.352 15.651 1.00 0.00 N ATOM 611 CA LEU A 723 61.194 2.888 16.360 1.00 0.00 C ATOM 612 C LEU A 723 60.771 1.954 17.489 1.00 0.00 C ATOM 613 O LEU A 723 60.237 2.413 18.500 1.00 0.00 O ATOM 614 CB LEU A 723 60.026 3.074 15.387 1.00 0.00 C ATOM 615 CG LEU A 723 60.405 4.102 14.313 1.00 0.00 C ATOM 616 CD1 LEU A 723 59.294 4.166 13.261 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.583 5.480 14.955 1.00 0.00 C ATOM 0 H LEU A 723 62.133 1.890 14.768 1.00 0.00 H new ATOM 0 HA LEU A 723 61.471 3.852 16.787 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.774 2.122 14.920 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.140 3.408 15.927 1.00 0.00 H new ATOM 0 HG LEU A 723 61.341 3.805 13.840 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.559 4.895 12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.172 3.185 12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.359 4.463 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.852 6.207 14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.650 5.783 15.431 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.374 5.433 15.704 1.00 0.00 H new ATOM 629 N LYS A 724 61.266 0.716 17.427 1.00 0.00 N ATOM 630 CA LYS A 724 60.910 -0.318 18.402 1.00 0.00 C ATOM 631 C LYS A 724 59.533 -0.060 19.020 1.00 0.00 C ATOM 632 O LYS A 724 59.427 0.419 20.151 1.00 0.00 O ATOM 633 CB LYS A 724 61.976 -0.397 19.505 1.00 0.00 C ATOM 634 CG LYS A 724 62.387 1.011 19.950 1.00 0.00 C ATOM 635 CD LYS A 724 63.406 0.906 21.088 1.00 0.00 C ATOM 636 CE LYS A 724 63.639 2.291 21.700 1.00 0.00 C ATOM 637 NZ LYS A 724 62.489 2.649 22.579 1.00 0.00 N1+ ATOM 0 H LYS A 724 61.918 0.404 16.708 1.00 0.00 H new ATOM 0 HA LYS A 724 60.866 -1.271 17.874 1.00 0.00 H new ATOM 0 HB2 LYS A 724 61.587 -0.956 20.356 1.00 0.00 H new ATOM 0 HB3 LYS A 724 62.848 -0.939 19.139 1.00 0.00 H new ATOM 0 HG2 LYS A 724 62.817 1.559 19.111 1.00 0.00 H new ATOM 0 HG3 LYS A 724 61.512 1.570 20.281 1.00 0.00 H new ATOM 0 HD2 LYS A 724 63.044 0.217 21.851 1.00 0.00 H new ATOM 0 HD3 LYS A 724 64.345 0.501 20.712 1.00 0.00 H new ATOM 0 HE2 LYS A 724 64.565 2.294 22.276 1.00 0.00 H new ATOM 0 HE3 LYS A 724 63.752 3.034 20.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 62.740 3.474 23.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 61.661 2.878 21.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 62.262 1.845 23.199 1.00 0.00 H new ATOM 651 N LYS A 725 58.495 -0.537 18.337 1.00 0.00 N ATOM 652 CA LYS A 725 57.124 -0.324 18.789 1.00 0.00 C ATOM 653 C LYS A 725 56.906 -0.945 20.167 1.00 0.00 C ATOM 654 O LYS A 725 57.368 -2.055 20.435 1.00 0.00 O ATOM 655 CB LYS A 725 56.149 -0.943 17.783 1.00 0.00 C ATOM 656 CG LYS A 725 54.715 -0.841 18.316 1.00 0.00 C ATOM 657 CD LYS A 725 53.745 -0.645 17.147 1.00 0.00 C ATOM 658 CE LYS A 725 53.784 -1.874 16.234 1.00 0.00 C ATOM 659 NZ LYS A 725 52.500 -1.979 15.486 1.00 0.00 N1+ ATOM 0 H LYS A 725 58.577 -1.071 17.472 1.00 0.00 H new ATOM 0 HA LYS A 725 56.944 0.749 18.861 1.00 0.00 H new ATOM 0 HB2 LYS A 725 56.227 -0.430 16.824 1.00 0.00 H new ATOM 0 HB3 LYS A 725 56.408 -1.987 17.608 1.00 0.00 H new ATOM 0 HG2 LYS A 725 54.457 -1.744 18.869 1.00 0.00 H new ATOM 0 HG3 LYS A 725 54.634 -0.007 19.013 1.00 0.00 H new ATOM 0 HD2 LYS A 725 52.734 -0.491 17.523 1.00 0.00 H new ATOM 0 HD3 LYS A 725 54.015 0.248 16.583 1.00 0.00 H new ATOM 0 HE2 LYS A 725 54.618 -1.796 15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 725 53.947 -2.775 16.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 52.527 -2.814 14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 51.713 -2.073 16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 52.363 -1.124 14.910 1.00 0.00 H new ATOM 673 N LYS A 726 56.338 -0.153 21.076 1.00 0.00 N ATOM 674 CA LYS A 726 56.118 -0.596 22.452 1.00 0.00 C ATOM 675 C LYS A 726 57.408 -1.149 23.057 1.00 0.00 C ATOM 676 O LYS A 726 57.504 -2.340 23.358 1.00 0.00 O ATOM 677 CB LYS A 726 55.022 -1.667 22.493 1.00 0.00 C ATOM 678 CG LYS A 726 53.649 -0.997 22.402 1.00 0.00 C ATOM 679 CD LYS A 726 52.558 -2.069 22.353 1.00 0.00 C ATOM 680 CE LYS A 726 51.182 -1.404 22.460 1.00 0.00 C ATOM 681 NZ LYS A 726 50.205 -2.141 21.611 1.00 0.00 N1+ ATOM 0 H LYS A 726 56.022 0.798 20.884 1.00 0.00 H new ATOM 0 HA LYS A 726 55.800 0.264 23.041 1.00 0.00 H new ATOM 0 HB2 LYS A 726 55.152 -2.367 21.668 1.00 0.00 H new ATOM 0 HB3 LYS A 726 55.097 -2.244 23.415 1.00 0.00 H new ATOM 0 HG2 LYS A 726 53.494 -0.344 23.261 1.00 0.00 H new ATOM 0 HG3 LYS A 726 53.597 -0.370 21.512 1.00 0.00 H new ATOM 0 HD2 LYS A 726 52.629 -2.633 21.423 1.00 0.00 H new ATOM 0 HD3 LYS A 726 52.695 -2.779 23.168 1.00 0.00 H new ATOM 0 HE2 LYS A 726 50.848 -1.401 23.498 1.00 0.00 H new ATOM 0 HE3 LYS A 726 51.244 -0.363 22.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 49.271 -1.689 21.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 50.522 -2.122 20.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 50.139 -3.127 21.935 1.00 0.00 H new ATOM 695 N GLN A 727 58.373 -0.260 23.285 1.00 0.00 N ATOM 696 CA GLN A 727 59.623 -0.643 23.938 1.00 0.00 C ATOM 697 C GLN A 727 60.277 -1.810 23.197 1.00 0.00 C ATOM 698 O GLN A 727 60.152 -1.924 21.978 1.00 0.00 O ATOM 699 CB GLN A 727 59.360 -1.034 25.399 1.00 0.00 C ATOM 700 CG GLN A 727 58.474 0.021 26.072 1.00 0.00 C ATOM 701 CD GLN A 727 57.013 -0.421 26.041 1.00 0.00 C ATOM 702 OE1 GLN A 727 56.143 0.337 25.610 1.00 0.00 O ATOM 703 NE2 GLN A 727 56.688 -1.606 26.480 1.00 0.00 N ATOM 0 H GLN A 727 58.314 0.726 23.029 1.00 0.00 H new ATOM 0 HA GLN A 727 60.300 0.211 23.915 1.00 0.00 H new ATOM 0 HB2 GLN A 727 58.875 -2.009 25.442 1.00 0.00 H new ATOM 0 HB3 GLN A 727 60.304 -1.124 25.936 1.00 0.00 H new ATOM 0 HG2 GLN A 727 58.794 0.172 27.103 1.00 0.00 H new ATOM 0 HG3 GLN A 727 58.583 0.978 25.561 1.00 0.00 H new ATOM 0 HE21 GLN A 727 57.409 -2.233 26.837 1.00 0.00 H new ATOM 0 HE22 GLN A 727 55.713 -1.905 26.466 1.00 0.00 H new ATOM 712 N TYR A 728 60.865 -2.734 23.955 1.00 0.00 N ATOM 713 CA TYR A 728 61.374 -3.975 23.378 1.00 0.00 C ATOM 714 C TYR A 728 60.291 -5.049 23.376 1.00 0.00 C ATOM 715 O TYR A 728 60.244 -5.896 22.484 1.00 0.00 O ATOM 716 CB TYR A 728 62.583 -4.469 24.180 1.00 0.00 C ATOM 717 CG TYR A 728 63.563 -3.333 24.371 1.00 0.00 C ATOM 718 CD1 TYR A 728 64.263 -2.828 23.268 1.00 0.00 C ATOM 719 CD2 TYR A 728 63.589 -2.639 25.588 1.00 0.00 C ATOM 720 CE1 TYR A 728 65.012 -1.652 23.391 1.00 0.00 C ATOM 721 CE2 TYR A 728 64.370 -1.485 25.722 1.00 0.00 C ATOM 722 CZ TYR A 728 65.078 -0.987 24.622 1.00 0.00 C ATOM 723 OH TYR A 728 65.974 0.048 24.796 1.00 0.00 O ATOM 0 H TYR A 728 61.000 -2.647 24.962 1.00 0.00 H new ATOM 0 HA TYR A 728 61.676 -3.777 22.350 1.00 0.00 H new ATOM 0 HB2 TYR A 728 62.259 -4.850 25.148 1.00 0.00 H new ATOM 0 HB3 TYR A 728 63.066 -5.295 23.658 1.00 0.00 H new ATOM 0 HD1 TYR A 728 64.225 -3.347 22.321 1.00 0.00 H new ATOM 0 HD2 TYR A 728 63.005 -2.995 26.424 1.00 0.00 H new ATOM 0 HE1 TYR A 728 65.540 -1.257 22.536 1.00 0.00 H new ATOM 0 HE2 TYR A 728 64.426 -0.979 26.674 1.00 0.00 H new ATOM 0 HH TYR A 728 65.892 0.402 25.706 1.00 0.00 H new TER 733 TYR A 728