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= 0.15 K(o=0.15,f=-1.2) USER MOD Single : A 685 HIS : no HE2:sc= 0.0154 X(o=0.015,f=-0.16) USER MOD Single : A 686 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 161:sc=-0.00883 (180deg=-0.138) USER MOD Single : A 697 SER OG : rot 180:sc= -0.116 USER MOD Single : A 698 ASN : amide:sc= 0 X(o=0,f=0) 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 13:sc= 0.395 USER MOD Single : A 719 THR OG1 : rot 60:sc= 0.451 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+ -165:sc= 0 (180deg=-0.189) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.918 K(o=-0.92,f=-0.0033) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 52.748 23.096 -0.980 1.00 0.00 N ATOM 2 CA VAL A 683 52.980 21.659 -1.097 1.00 0.00 C ATOM 3 C VAL A 683 54.460 21.335 -0.914 1.00 0.00 C ATOM 4 O VAL A 683 55.314 22.215 -1.034 1.00 0.00 O ATOM 5 CB VAL A 683 52.513 21.157 -2.471 1.00 0.00 C ATOM 6 CG1 VAL A 683 50.983 21.082 -2.495 1.00 0.00 C ATOM 7 CG2 VAL A 683 52.997 22.113 -3.567 1.00 0.00 C ATOM 0 HA VAL A 683 52.409 21.158 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 683 52.929 20.166 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 683 50.651 20.726 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 683 50.640 20.394 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 683 50.567 22.072 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 683 52.662 21.751 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 683 52.587 23.107 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 683 54.086 22.161 -3.553 1.00 0.00 H new ATOM 16 N HIS A 684 54.762 20.041 -0.832 1.00 0.00 N ATOM 17 CA HIS A 684 56.138 19.591 -0.639 1.00 0.00 C ATOM 18 C HIS A 684 56.819 19.369 -1.987 1.00 0.00 C ATOM 19 O HIS A 684 56.248 19.662 -3.038 1.00 0.00 O ATOM 20 CB HIS A 684 56.161 18.287 0.169 1.00 0.00 C ATOM 21 CG HIS A 684 55.005 18.260 1.134 1.00 0.00 C ATOM 22 ND1 HIS A 684 53.770 17.733 0.792 1.00 0.00 N ATOM 23 CD2 HIS A 684 54.868 18.728 2.419 1.00 0.00 C ATOM 24 CE1 HIS A 684 52.917 18.024 1.790 1.00 0.00 C ATOM 25 NE2 HIS A 684 53.551 18.561 2.836 1.00 0.00 N ATOM 0 H HIS A 684 54.076 19.289 -0.896 1.00 0.00 H new ATOM 0 HA HIS A 684 56.678 20.363 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 684 56.104 17.431 -0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 684 57.102 18.203 0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 684 55.660 19.159 3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 684 51.853 17.846 1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 684 53.155 18.798 3.745 1.00 0.00 H new ATOM 33 N HIS A 685 58.048 18.860 -1.945 1.00 0.00 N ATOM 34 CA HIS A 685 58.765 18.499 -3.165 1.00 0.00 C ATOM 35 C HIS A 685 59.542 17.201 -2.967 1.00 0.00 C ATOM 36 O HIS A 685 59.880 16.519 -3.936 1.00 0.00 O ATOM 37 CB HIS A 685 59.732 19.625 -3.553 1.00 0.00 C ATOM 38 CG HIS A 685 59.287 20.247 -4.849 1.00 0.00 C ATOM 39 ND1 HIS A 685 58.142 21.021 -4.938 1.00 0.00 N ATOM 40 CD2 HIS A 685 59.725 20.082 -6.140 1.00 0.00 C ATOM 41 CE1 HIS A 685 58.009 21.401 -6.221 1.00 0.00 C ATOM 42 NE2 HIS A 685 58.924 20.823 -7.004 1.00 0.00 N ATOM 0 H HIS A 685 58.566 18.689 -1.083 1.00 0.00 H new ATOM 0 HA HIS A 685 58.038 18.353 -3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 685 59.762 20.380 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 685 60.743 19.231 -3.655 1.00 0.00 H new ATOM 0 HD1 HIS A 685 57.514 21.259 -4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 685 60.563 19.470 -6.439 1.00 0.00 H new ATOM 0 HE1 HIS A 685 57.255 22.089 -6.575 1.00 0.00 H new ATOM 50 N GLN A 686 59.685 16.790 -1.708 1.00 0.00 N ATOM 51 CA GLN A 686 60.423 15.574 -1.385 1.00 0.00 C ATOM 52 C GLN A 686 59.513 14.353 -1.484 1.00 0.00 C ATOM 53 O GLN A 686 59.735 13.476 -2.320 1.00 0.00 O ATOM 54 CB GLN A 686 60.996 15.674 0.032 1.00 0.00 C ATOM 55 CG GLN A 686 62.113 16.724 0.060 1.00 0.00 C ATOM 56 CD GLN A 686 62.495 17.047 1.502 1.00 0.00 C ATOM 57 OE1 GLN A 686 62.692 18.212 1.845 1.00 0.00 O ATOM 58 NE2 GLN A 686 62.662 16.076 2.358 1.00 0.00 N ATOM 0 H GLN A 686 59.301 17.280 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 686 61.238 15.463 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 686 60.209 15.946 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 686 61.385 14.706 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 686 62.984 16.354 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 686 61.784 17.630 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 686 62.498 15.111 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 686 62.956 16.283 3.313 1.00 0.00 H new ATOM 67 N LYS A 687 58.386 14.410 -0.779 1.00 0.00 N ATOM 68 CA LYS A 687 57.431 13.304 -0.781 1.00 0.00 C ATOM 69 C LYS A 687 56.260 13.610 -1.708 1.00 0.00 C ATOM 70 O LYS A 687 55.558 14.607 -1.529 1.00 0.00 O ATOM 71 CB LYS A 687 56.912 13.061 0.638 1.00 0.00 C ATOM 72 CG LYS A 687 57.983 12.335 1.458 1.00 0.00 C ATOM 73 CD LYS A 687 57.455 12.067 2.869 1.00 0.00 C ATOM 74 CE LYS A 687 58.631 11.830 3.821 1.00 0.00 C ATOM 75 NZ LYS A 687 59.263 13.136 4.163 1.00 0.00 N1+ ATOM 0 H LYS A 687 58.112 15.205 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 687 57.939 12.409 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 687 56.658 14.010 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 687 55.999 12.467 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 687 58.251 11.396 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 687 58.889 12.938 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 687 56.861 12.914 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 687 56.798 11.198 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 687 58.285 11.333 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 687 59.363 11.170 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 59.830 13.031 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 59.878 13.440 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 58.523 13.850 4.318 1.00 0.00 H new ATOM 89 N LEU A 688 56.077 12.762 -2.718 1.00 0.00 N ATOM 90 CA LEU A 688 54.982 12.932 -3.667 1.00 0.00 C ATOM 91 C LEU A 688 53.828 11.997 -3.319 1.00 0.00 C ATOM 92 O LEU A 688 52.661 12.374 -3.433 1.00 0.00 O ATOM 93 CB LEU A 688 55.471 12.638 -5.090 1.00 0.00 C ATOM 94 CG LEU A 688 56.811 13.344 -5.339 1.00 0.00 C ATOM 95 CD1 LEU A 688 57.308 13.018 -6.752 1.00 0.00 C ATOM 96 CD2 LEU A 688 56.635 14.859 -5.194 1.00 0.00 C ATOM 0 H LEU A 688 56.671 11.953 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 688 54.632 13.963 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 688 55.585 11.563 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 688 54.731 12.977 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 688 57.541 12.996 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 688 58.260 13.520 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 688 57.442 11.941 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 688 56.576 13.361 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 688 57.589 15.355 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 688 55.902 15.211 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 688 56.288 15.090 -4.187 1.00 0.00 H new ATOM 108 N VAL A 689 54.165 10.876 -2.683 1.00 0.00 N ATOM 109 CA VAL A 689 53.152 9.952 -2.176 1.00 0.00 C ATOM 110 C VAL A 689 52.684 10.375 -0.784 1.00 0.00 C ATOM 111 O VAL A 689 52.175 9.557 -0.016 1.00 0.00 O ATOM 112 CB VAL A 689 53.724 8.529 -2.113 1.00 0.00 C ATOM 113 CG1 VAL A 689 53.753 7.926 -3.521 1.00 0.00 C ATOM 114 CG2 VAL A 689 55.146 8.565 -1.540 1.00 0.00 C ATOM 0 H VAL A 689 55.127 10.587 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 689 52.300 9.972 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 689 53.093 7.917 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 689 54.159 6.916 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 689 52.741 7.892 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 689 54.380 8.540 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.547 7.552 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 689 55.780 9.180 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.123 8.988 -0.536 1.00 0.00 H new ATOM 124 N PHE A 690 52.880 11.649 -0.456 1.00 0.00 N ATOM 125 CA PHE A 690 52.419 12.176 0.825 1.00 0.00 C ATOM 126 C PHE A 690 50.901 12.065 0.935 1.00 0.00 C ATOM 127 O PHE A 690 50.382 11.611 1.955 1.00 0.00 O ATOM 128 CB PHE A 690 52.840 13.641 0.967 1.00 0.00 C ATOM 129 CG PHE A 690 52.710 14.066 2.412 1.00 0.00 C ATOM 130 CD1 PHE A 690 53.648 13.619 3.353 1.00 0.00 C ATOM 131 CD2 PHE A 690 51.546 14.714 2.844 1.00 0.00 C ATOM 132 CE1 PHE A 690 53.473 13.919 4.709 1.00 0.00 C ATOM 133 CE2 PHE A 690 51.412 15.084 4.187 1.00 0.00 C ATOM 134 CZ PHE A 690 52.360 14.659 5.125 1.00 0.00 C ATOM 0 H PHE A 690 53.350 12.330 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 690 52.872 11.589 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 690 53.869 13.769 0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 690 52.217 14.272 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 690 54.504 13.044 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 690 50.753 14.928 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 690 54.197 13.579 5.435 1.00 0.00 H new ATOM 0 HE2 PHE A 690 50.579 15.696 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 690 52.233 14.902 6.170 1.00 0.00 H new ATOM 144 N PHE A 691 50.227 12.254 -0.196 1.00 0.00 N ATOM 145 CA PHE A 691 48.771 12.153 -0.241 1.00 0.00 C ATOM 146 C PHE A 691 48.341 10.753 -0.675 1.00 0.00 C ATOM 147 O PHE A 691 47.256 10.581 -1.234 1.00 0.00 O ATOM 148 CB PHE A 691 48.204 13.190 -1.217 1.00 0.00 C ATOM 149 CG PHE A 691 49.010 14.466 -1.134 1.00 0.00 C ATOM 150 CD1 PHE A 691 48.904 15.283 -0.002 1.00 0.00 C ATOM 151 CD2 PHE A 691 49.994 14.731 -2.096 1.00 0.00 C ATOM 152 CE1 PHE A 691 49.740 16.397 0.138 1.00 0.00 C ATOM 153 CE2 PHE A 691 50.874 15.805 -1.921 1.00 0.00 C ATOM 154 CZ PHE A 691 50.740 16.646 -0.809 1.00 0.00 C ATOM 0 H PHE A 691 50.663 12.477 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 691 48.383 12.345 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 691 48.230 12.798 -2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 691 47.160 13.393 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 691 48.177 15.054 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 691 50.073 14.106 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 691 49.613 17.065 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 691 51.656 15.985 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 691 51.407 17.486 -0.682 1.00 0.00 H new ATOM 164 N ALA A 692 49.060 9.747 -0.182 1.00 0.00 N ATOM 165 CA ALA A 692 48.822 8.370 -0.601 1.00 0.00 C ATOM 166 C ALA A 692 47.729 7.728 0.253 1.00 0.00 C ATOM 167 O ALA A 692 47.574 6.505 0.262 1.00 0.00 O ATOM 168 CB ALA A 692 50.113 7.559 -0.484 1.00 0.00 C ATOM 0 H ALA A 692 49.807 9.859 0.503 1.00 0.00 H new ATOM 0 HA ALA A 692 48.493 8.377 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 692 49.927 6.532 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 692 50.879 8.001 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 692 50.454 7.565 0.551 1.00 0.00 H new ATOM 174 N GLU A 693 46.871 8.569 0.826 1.00 0.00 N ATOM 175 CA GLU A 693 45.628 8.100 1.429 1.00 0.00 C ATOM 176 C GLU A 693 44.522 8.009 0.380 1.00 0.00 C ATOM 177 O GLU A 693 43.699 7.091 0.411 1.00 0.00 O ATOM 178 CB GLU A 693 45.201 9.063 2.542 1.00 0.00 C ATOM 179 CG GLU A 693 45.475 8.422 3.907 1.00 0.00 C ATOM 180 CD GLU A 693 45.299 9.454 5.021 1.00 0.00 C ATOM 181 OE1 GLU A 693 44.260 10.093 5.045 1.00 0.00 O ATOM 182 OE2 GLU A 693 46.106 9.441 5.937 1.00 0.00 O1- ATOM 0 H GLU A 693 47.014 9.577 0.885 1.00 0.00 H new ATOM 0 HA GLU A 693 45.796 7.107 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 693 45.747 10.002 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 693 44.141 9.300 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 693 44.795 7.585 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 693 46.488 8.020 3.931 1.00 0.00 H new ATOM 189 N ASP A 694 44.596 8.882 -0.622 1.00 0.00 N ATOM 190 CA ASP A 694 43.478 9.082 -1.540 1.00 0.00 C ATOM 191 C ASP A 694 43.626 8.187 -2.766 1.00 0.00 C ATOM 192 O ASP A 694 42.638 7.805 -3.393 1.00 0.00 O ATOM 193 CB ASP A 694 43.419 10.550 -1.981 1.00 0.00 C ATOM 194 CG ASP A 694 42.557 11.355 -1.013 1.00 0.00 C ATOM 195 OD1 ASP A 694 41.352 11.167 -1.033 1.00 0.00 O ATOM 196 OD2 ASP A 694 43.096 12.242 -0.370 1.00 0.00 O1- ATOM 0 H ASP A 694 45.414 9.459 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 694 42.555 8.821 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 694 44.425 10.967 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 694 43.009 10.619 -2.989 1.00 0.00 H new ATOM 201 N VAL A 695 44.872 7.894 -3.124 1.00 0.00 N ATOM 202 CA VAL A 695 45.147 7.023 -4.260 1.00 0.00 C ATOM 203 C VAL A 695 44.808 5.576 -3.919 1.00 0.00 C ATOM 204 O VAL A 695 45.036 4.673 -4.727 1.00 0.00 O ATOM 205 CB VAL A 695 46.628 7.128 -4.640 1.00 0.00 C ATOM 206 CG1 VAL A 695 47.025 8.603 -4.753 1.00 0.00 C ATOM 207 CG2 VAL A 695 47.482 6.455 -3.561 1.00 0.00 C ATOM 0 H VAL A 695 45.703 8.245 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 695 44.529 7.338 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 695 46.791 6.632 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 695 48.078 8.677 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 695 46.419 9.085 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 695 46.860 9.098 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 695 48.535 6.530 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 695 47.317 6.951 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 695 47.202 5.405 -3.478 1.00 0.00 H new ATOM 217 N GLY A 696 44.506 5.342 -2.645 1.00 0.00 N ATOM 218 CA GLY A 696 43.929 4.073 -2.221 1.00 0.00 C ATOM 219 C GLY A 696 42.668 3.750 -3.019 1.00 0.00 C ATOM 220 O GLY A 696 41.552 3.932 -2.531 1.00 0.00 O ATOM 0 H GLY A 696 44.651 6.013 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 696 44.660 3.275 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 696 43.690 4.115 -1.158 1.00 0.00 H new ATOM 224 N SER A 697 42.859 3.283 -4.250 1.00 0.00 N ATOM 225 CA SER A 697 41.738 2.986 -5.135 1.00 0.00 C ATOM 226 C SER A 697 41.160 1.604 -4.819 1.00 0.00 C ATOM 227 O SER A 697 40.823 1.317 -3.670 1.00 0.00 O ATOM 228 CB SER A 697 42.204 3.047 -6.594 1.00 0.00 C ATOM 229 OG SER A 697 43.220 2.078 -6.808 1.00 0.00 O ATOM 0 H SER A 697 43.777 3.103 -4.656 1.00 0.00 H new ATOM 0 HA SER A 697 40.955 3.728 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 697 41.364 2.862 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.582 4.043 -6.825 1.00 0.00 H new ATOM 0 HG SER A 697 43.517 2.116 -7.741 1.00 0.00 H new ATOM 235 N ASN A 698 40.974 0.785 -5.855 1.00 0.00 N ATOM 236 CA ASN A 698 40.469 -0.572 -5.668 1.00 0.00 C ATOM 237 C ASN A 698 41.358 -1.350 -4.702 1.00 0.00 C ATOM 238 O ASN A 698 42.585 -1.308 -4.803 1.00 0.00 O ATOM 239 CB ASN A 698 40.414 -1.301 -7.015 1.00 0.00 C ATOM 240 CG ASN A 698 38.963 -1.543 -7.418 1.00 0.00 C ATOM 241 OD1 ASN A 698 38.440 -0.858 -8.300 1.00 0.00 O ATOM 242 ND2 ASN A 698 38.254 -2.424 -6.768 1.00 0.00 N ATOM 0 H ASN A 698 41.164 1.037 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 698 39.465 -0.509 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.918 -0.709 -7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 698 40.944 -2.251 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.266 -2.547 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 698 38.688 -2.990 -6.039 1.00 0.00 H new ATOM 249 N LYS A 699 40.734 -1.940 -3.685 1.00 0.00 N ATOM 250 CA LYS A 699 41.474 -2.657 -2.653 1.00 0.00 C ATOM 251 C LYS A 699 42.050 -3.954 -3.208 1.00 0.00 C ATOM 252 O LYS A 699 43.127 -4.379 -2.795 1.00 0.00 O ATOM 253 CB LYS A 699 40.549 -2.970 -1.470 1.00 0.00 C ATOM 254 CG LYS A 699 40.589 -1.818 -0.461 1.00 0.00 C ATOM 255 CD LYS A 699 40.113 -0.524 -1.132 1.00 0.00 C ATOM 256 CE LYS A 699 39.671 0.480 -0.064 1.00 0.00 C ATOM 257 NZ LYS A 699 38.239 0.245 0.276 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.722 -1.935 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 699 42.296 -2.025 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.529 -3.120 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 699 40.860 -3.898 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.955 -2.050 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 699 41.603 -1.690 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 699 40.916 -0.099 -1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 699 39.286 -0.737 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 699 40.290 0.375 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 699 39.807 1.498 -0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 37.938 0.927 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 37.655 0.366 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 38.123 -0.722 0.640 1.00 0.00 H new ATOM 271 N GLY A 700 41.462 -4.431 -4.305 1.00 0.00 N ATOM 272 CA GLY A 700 41.918 -5.667 -4.938 1.00 0.00 C ATOM 273 C GLY A 700 43.348 -5.527 -5.456 1.00 0.00 C ATOM 274 O GLY A 700 44.035 -6.526 -5.668 1.00 0.00 O ATOM 0 H GLY A 700 40.673 -3.983 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.867 -6.486 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.253 -5.923 -5.763 1.00 0.00 H new ATOM 278 N ALA A 701 43.845 -4.291 -5.467 1.00 0.00 N ATOM 279 CA ALA A 701 45.217 -4.027 -5.887 1.00 0.00 C ATOM 280 C ALA A 701 46.214 -4.668 -4.926 1.00 0.00 C ATOM 281 O ALA A 701 47.319 -5.032 -5.325 1.00 0.00 O ATOM 282 CB ALA A 701 45.462 -2.517 -5.945 1.00 0.00 C ATOM 0 H ALA A 701 43.320 -3.461 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 701 45.360 -4.461 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.488 -2.327 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.774 -2.064 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.298 -2.084 -4.958 1.00 0.00 H new ATOM 288 N ILE A 702 45.765 -4.931 -3.699 1.00 0.00 N ATOM 289 CA ILE A 702 46.644 -5.481 -2.670 1.00 0.00 C ATOM 290 C ILE A 702 47.230 -6.815 -3.125 1.00 0.00 C ATOM 291 O ILE A 702 48.398 -7.101 -2.868 1.00 0.00 O ATOM 292 CB ILE A 702 45.875 -5.676 -1.356 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.750 -6.704 -1.559 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.283 -4.335 -0.902 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.013 -6.939 -0.235 1.00 0.00 C ATOM 0 H ILE A 702 44.804 -4.773 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 702 47.457 -4.774 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 702 46.557 -6.044 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.051 -6.347 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.165 -7.643 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.737 -4.475 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.087 -3.616 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.603 -3.960 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.217 -7.668 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 702 44.714 -7.316 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.583 -6.000 0.114 1.00 0.00 H new ATOM 307 N ILE A 703 46.486 -7.516 -3.978 1.00 0.00 N ATOM 308 CA ILE A 703 46.943 -8.795 -4.513 1.00 0.00 C ATOM 309 C ILE A 703 48.137 -8.588 -5.442 1.00 0.00 C ATOM 310 O ILE A 703 49.203 -9.168 -5.228 1.00 0.00 O ATOM 311 CB ILE A 703 45.803 -9.476 -5.281 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.616 -9.713 -4.337 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.292 -10.817 -5.840 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.359 -10.035 -5.151 1.00 0.00 C ATOM 0 H ILE A 703 45.568 -7.221 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 703 47.250 -9.430 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 703 45.487 -8.835 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.840 -10.535 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.446 -8.828 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.482 -11.301 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.132 -10.646 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.611 -11.459 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.521 -10.202 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.130 -9.200 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.530 -10.933 -5.745 1.00 0.00 H new ATOM 326 N GLY A 704 48.012 -7.614 -6.340 1.00 0.00 N ATOM 327 CA GLY A 704 49.093 -7.295 -7.267 1.00 0.00 C ATOM 328 C GLY A 704 50.239 -6.591 -6.546 1.00 0.00 C ATOM 329 O GLY A 704 51.407 -6.896 -6.780 1.00 0.00 O ATOM 0 H GLY A 704 47.178 -7.036 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.459 -8.210 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.715 -6.658 -8.067 1.00 0.00 H new ATOM 333 N LEU A 705 49.890 -5.788 -5.545 1.00 0.00 N ATOM 334 CA LEU A 705 50.888 -5.036 -4.792 1.00 0.00 C ATOM 335 C LEU A 705 51.603 -5.932 -3.786 1.00 0.00 C ATOM 336 O LEU A 705 52.627 -5.544 -3.227 1.00 0.00 O ATOM 337 CB LEU A 705 50.214 -3.879 -4.055 1.00 0.00 C ATOM 338 CG LEU A 705 49.700 -2.858 -5.074 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.837 -1.818 -4.360 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.890 -2.165 -5.743 1.00 0.00 C ATOM 0 H LEU A 705 48.928 -5.642 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 705 51.625 -4.647 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.388 -4.251 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.921 -3.405 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 705 49.103 -3.366 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 705 48.470 -1.090 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.991 -2.313 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.433 -1.308 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 705 50.526 -1.438 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.487 -1.655 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.505 -2.908 -6.251 1.00 0.00 H new ATOM 352 N MET A 706 50.961 -7.043 -3.433 1.00 0.00 N ATOM 353 CA MET A 706 51.493 -7.929 -2.401 1.00 0.00 C ATOM 354 C MET A 706 52.768 -8.610 -2.888 1.00 0.00 C ATOM 355 O MET A 706 53.790 -8.589 -2.201 1.00 0.00 O ATOM 356 CB MET A 706 50.445 -8.986 -2.032 1.00 0.00 C ATOM 357 CG MET A 706 51.087 -10.090 -1.182 1.00 0.00 C ATOM 358 SD MET A 706 51.576 -11.469 -2.251 1.00 0.00 S ATOM 359 CE MET A 706 52.692 -12.282 -1.081 1.00 0.00 C ATOM 0 H MET A 706 50.079 -7.350 -3.843 1.00 0.00 H new ATOM 0 HA MET A 706 51.731 -7.335 -1.519 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.627 -8.522 -1.481 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.016 -9.416 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.957 -9.698 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.384 -10.435 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 706 53.115 -13.175 -1.542 1.00 0.00 H new ATOM 0 HE2 MET A 706 53.496 -11.598 -0.810 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.138 -12.564 -0.186 1.00 0.00 H new ATOM 369 N VAL A 707 52.747 -9.068 -4.138 1.00 0.00 N ATOM 370 CA VAL A 707 53.887 -9.791 -4.693 1.00 0.00 C ATOM 371 C VAL A 707 55.069 -8.844 -4.897 1.00 0.00 C ATOM 372 O VAL A 707 56.213 -9.206 -4.617 1.00 0.00 O ATOM 373 CB VAL A 707 53.507 -10.450 -6.029 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.086 -11.022 -5.940 1.00 0.00 C ATOM 375 CG2 VAL A 707 53.568 -9.418 -7.161 1.00 0.00 C ATOM 0 H VAL A 707 51.962 -8.953 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 707 54.176 -10.570 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 707 54.212 -11.255 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 707 51.821 -11.488 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.043 -11.767 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.383 -10.218 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 707 53.297 -9.895 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.871 -8.607 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.579 -9.018 -7.234 1.00 0.00 H new ATOM 385 N GLY A 708 54.754 -7.574 -5.144 1.00 0.00 N ATOM 386 CA GLY A 708 55.782 -6.548 -5.284 1.00 0.00 C ATOM 387 C GLY A 708 55.904 -5.721 -4.007 1.00 0.00 C ATOM 388 O GLY A 708 56.725 -4.806 -3.931 1.00 0.00 O ATOM 0 H GLY A 708 53.799 -7.233 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.740 -7.016 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.538 -5.896 -6.123 1.00 0.00 H new ATOM 392 N GLY A 709 55.225 -6.172 -2.953 1.00 0.00 N ATOM 393 CA GLY A 709 55.289 -5.495 -1.661 1.00 0.00 C ATOM 394 C GLY A 709 56.543 -5.901 -0.895 1.00 0.00 C ATOM 395 O GLY A 709 56.630 -5.705 0.318 1.00 0.00 O ATOM 0 H GLY A 709 54.628 -6.999 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.283 -4.415 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.404 -5.740 -1.074 1.00 0.00 H new ATOM 399 N VAL A 710 57.464 -6.563 -1.591 1.00 0.00 N ATOM 400 CA VAL A 710 58.707 -7.015 -0.975 1.00 0.00 C ATOM 401 C VAL A 710 59.670 -5.845 -0.779 1.00 0.00 C ATOM 402 O VAL A 710 60.390 -5.784 0.218 1.00 0.00 O ATOM 403 CB VAL A 710 59.366 -8.087 -1.853 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.419 -9.285 -1.999 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.676 -7.505 -3.239 1.00 0.00 C ATOM 0 H VAL A 710 57.373 -6.798 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 710 58.473 -7.440 0.001 1.00 0.00 H new ATOM 0 HB VAL A 710 60.295 -8.413 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.888 -10.046 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.207 -9.703 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.488 -8.959 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.144 -8.270 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.751 -7.173 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.354 -6.658 -3.135 1.00 0.00 H new ATOM 415 N VAL A 711 59.579 -4.858 -1.669 1.00 0.00 N ATOM 416 CA VAL A 711 60.460 -3.696 -1.604 1.00 0.00 C ATOM 417 C VAL A 711 60.009 -2.745 -0.501 1.00 0.00 C ATOM 418 O VAL A 711 60.829 -2.231 0.261 1.00 0.00 O ATOM 419 CB VAL A 711 60.456 -2.962 -2.950 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.379 -1.740 -2.874 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.949 -3.906 -4.051 1.00 0.00 C ATOM 0 H VAL A 711 58.909 -4.840 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 711 61.470 -4.039 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 711 59.441 -2.636 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.374 -1.220 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.026 -1.066 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.394 -2.064 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.946 -3.383 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.962 -4.235 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.290 -4.773 -4.109 1.00 0.00 H new ATOM 431 N ILE A 712 58.708 -2.471 -0.459 1.00 0.00 N ATOM 432 CA ILE A 712 58.156 -1.569 0.546 1.00 0.00 C ATOM 433 C ILE A 712 58.266 -2.185 1.939 1.00 0.00 C ATOM 434 O ILE A 712 58.493 -1.476 2.919 1.00 0.00 O ATOM 435 CB ILE A 712 56.687 -1.262 0.227 1.00 0.00 C ATOM 436 CG1 ILE A 712 55.856 -2.548 0.326 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.584 -0.692 -1.193 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.398 -2.255 -0.044 1.00 0.00 C ATOM 0 H ILE A 712 58.020 -2.858 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 712 58.728 -0.642 0.529 1.00 0.00 H new ATOM 0 HB ILE A 712 56.306 -0.533 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.264 -3.308 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.910 -2.950 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.541 -0.473 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.171 0.224 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.967 -1.422 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 712 53.813 -3.172 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 712 53.992 -1.510 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.351 -1.874 -1.064 1.00 0.00 H new ATOM 450 N ALA A 713 58.303 -3.516 1.984 1.00 0.00 N ATOM 451 CA ALA A 713 58.420 -4.226 3.253 1.00 0.00 C ATOM 452 C ALA A 713 59.736 -3.880 3.942 1.00 0.00 C ATOM 453 O ALA A 713 59.733 -3.249 4.998 1.00 0.00 O ATOM 454 CB ALA A 713 58.346 -5.737 3.016 1.00 0.00 C ATOM 0 H ALA A 713 58.254 -4.119 1.163 1.00 0.00 H new ATOM 0 HA ALA A 713 57.595 -3.919 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.434 -6.259 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.392 -5.986 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.160 -6.042 2.358 1.00 0.00 H new ATOM 460 N THR A 714 60.832 -4.035 3.203 1.00 0.00 N ATOM 461 CA THR A 714 62.162 -3.788 3.754 1.00 0.00 C ATOM 462 C THR A 714 62.306 -2.329 4.181 1.00 0.00 C ATOM 463 O THR A 714 62.855 -2.042 5.245 1.00 0.00 O ATOM 464 CB THR A 714 63.232 -4.125 2.709 1.00 0.00 C ATOM 465 OG1 THR A 714 62.823 -3.640 1.438 1.00 0.00 O ATOM 466 CG2 THR A 714 63.420 -5.642 2.639 1.00 0.00 C ATOM 0 H THR A 714 60.826 -4.329 2.226 1.00 0.00 H new ATOM 0 HA THR A 714 62.295 -4.424 4.629 1.00 0.00 H new ATOM 0 HB THR A 714 64.174 -3.655 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.068 -3.025 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.181 -5.880 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.735 -6.015 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.478 -6.113 2.358 1.00 0.00 H new ATOM 474 N VAL A 715 61.620 -1.444 3.461 1.00 0.00 N ATOM 475 CA VAL A 715 61.613 -0.026 3.808 1.00 0.00 C ATOM 476 C VAL A 715 60.887 0.195 5.132 1.00 0.00 C ATOM 477 O VAL A 715 61.473 0.713 6.084 1.00 0.00 O ATOM 478 CB VAL A 715 60.925 0.777 2.696 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.905 2.264 3.067 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.689 0.592 1.380 1.00 0.00 C ATOM 0 H VAL A 715 61.065 -1.682 2.639 1.00 0.00 H new ATOM 0 HA VAL A 715 62.643 0.314 3.914 1.00 0.00 H new ATOM 0 HB VAL A 715 59.902 0.420 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.416 2.830 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.358 2.399 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.927 2.622 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.199 1.163 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.713 0.945 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.699 -0.464 1.111 1.00 0.00 H new ATOM 490 N ILE A 716 59.716 -0.426 5.260 1.00 0.00 N ATOM 491 CA ILE A 716 58.907 -0.285 6.468 1.00 0.00 C ATOM 492 C ILE A 716 59.549 -1.033 7.635 1.00 0.00 C ATOM 493 O ILE A 716 59.532 -0.558 8.771 1.00 0.00 O ATOM 494 CB ILE A 716 57.496 -0.832 6.216 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.807 0.008 5.131 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.678 -0.764 7.510 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.744 -0.837 4.422 1.00 0.00 C ATOM 0 H ILE A 716 59.308 -1.029 4.545 1.00 0.00 H new ATOM 0 HA ILE A 716 58.846 0.773 6.723 1.00 0.00 H new ATOM 0 HB ILE A 716 57.565 -1.868 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.347 0.889 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.543 0.363 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.676 -1.153 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.165 -1.362 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.610 0.272 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.257 -0.238 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.217 -1.705 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.001 -1.170 5.147 1.00 0.00 H new ATOM 509 N VAL A 717 60.205 -2.149 7.326 1.00 0.00 N ATOM 510 CA VAL A 717 60.846 -2.966 8.353 1.00 0.00 C ATOM 511 C VAL A 717 62.041 -2.228 8.951 1.00 0.00 C ATOM 512 O VAL A 717 62.232 -2.222 10.168 1.00 0.00 O ATOM 513 CB VAL A 717 61.310 -4.296 7.745 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.129 -5.081 8.777 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.090 -5.124 7.324 1.00 0.00 C ATOM 0 H VAL A 717 60.306 -2.507 6.376 1.00 0.00 H new ATOM 0 HA VAL A 717 60.123 -3.163 9.145 1.00 0.00 H new ATOM 0 HB VAL A 717 61.930 -4.093 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.456 -6.025 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.000 -4.496 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.513 -5.281 9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.422 -6.068 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.467 -5.323 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.512 -4.570 6.584 1.00 0.00 H new ATOM 525 N ILE A 718 62.798 -1.549 8.092 1.00 0.00 N ATOM 526 CA ILE A 718 63.949 -0.771 8.540 1.00 0.00 C ATOM 527 C ILE A 718 63.506 0.355 9.473 1.00 0.00 C ATOM 528 O ILE A 718 64.217 0.702 10.416 1.00 0.00 O ATOM 529 CB ILE A 718 64.684 -0.191 7.320 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.600 -1.265 6.714 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.518 1.030 7.735 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.875 -1.410 7.553 1.00 0.00 C ATOM 0 H ILE A 718 62.635 -1.522 7.085 1.00 0.00 H new ATOM 0 HA ILE A 718 64.625 -1.425 9.091 1.00 0.00 H new ATOM 0 HB ILE A 718 63.950 0.121 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.074 -2.219 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.859 -0.997 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.034 1.432 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.862 1.794 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.251 0.732 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 718 67.515 -2.174 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 718 67.407 -0.459 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.610 -1.700 8.570 1.00 0.00 H new ATOM 544 N THR A 719 62.315 0.893 9.227 1.00 0.00 N ATOM 545 CA THR A 719 61.764 1.938 10.087 1.00 0.00 C ATOM 546 C THR A 719 61.159 1.335 11.353 1.00 0.00 C ATOM 547 O THR A 719 61.126 1.982 12.400 1.00 0.00 O ATOM 548 CB THR A 719 60.692 2.736 9.333 1.00 0.00 C ATOM 549 OG1 THR A 719 60.273 2.011 8.186 1.00 0.00 O ATOM 550 CG2 THR A 719 61.268 4.087 8.900 1.00 0.00 C ATOM 0 H THR A 719 61.716 0.626 8.446 1.00 0.00 H new ATOM 0 HA THR A 719 62.577 2.606 10.371 1.00 0.00 H new ATOM 0 HB THR A 719 59.837 2.898 9.990 1.00 0.00 H new ATOM 0 HG1 THR A 719 59.902 1.147 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.506 4.653 8.365 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.584 4.647 9.780 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.125 3.924 8.246 1.00 0.00 H new ATOM 558 N LEU A 720 60.776 0.062 11.275 1.00 0.00 N ATOM 559 CA LEU A 720 60.099 -0.593 12.391 1.00 0.00 C ATOM 560 C LEU A 720 61.053 -0.773 13.571 1.00 0.00 C ATOM 561 O LEU A 720 60.620 -0.856 14.721 1.00 0.00 O ATOM 562 CB LEU A 720 59.566 -1.961 11.954 1.00 0.00 C ATOM 563 CG LEU A 720 58.402 -2.374 12.866 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.078 -1.899 12.256 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.380 -3.898 13.013 1.00 0.00 C ATOM 0 H LEU A 720 60.921 -0.531 10.458 1.00 0.00 H new ATOM 0 HA LEU A 720 59.267 0.039 12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.232 -1.918 10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.361 -2.705 12.002 1.00 0.00 H new ATOM 0 HG LEU A 720 58.533 -1.918 13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.253 -2.193 12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.092 -0.814 12.156 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.947 -2.352 11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 720 57.553 -4.189 13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.252 -4.356 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 720 59.320 -4.235 13.451 1.00 0.00 H new ATOM 577 N VAL A 721 62.351 -0.817 13.278 1.00 0.00 N ATOM 578 CA VAL A 721 63.359 -0.981 14.322 1.00 0.00 C ATOM 579 C VAL A 721 63.346 0.217 15.271 1.00 0.00 C ATOM 580 O VAL A 721 63.525 0.057 16.479 1.00 0.00 O ATOM 581 CB VAL A 721 64.753 -1.134 13.695 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.689 -2.135 12.536 1.00 0.00 C ATOM 583 CG2 VAL A 721 65.243 0.222 13.173 1.00 0.00 C ATOM 0 H VAL A 721 62.727 -0.742 12.333 1.00 0.00 H new ATOM 0 HA VAL A 721 63.123 -1.881 14.889 1.00 0.00 H new ATOM 0 HB VAL A 721 65.446 -1.498 14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.679 -2.242 12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.352 -3.102 12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.991 -1.774 11.781 1.00 0.00 H new ATOM 0 HG21 VAL A 721 66.232 0.105 12.730 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.549 0.594 12.419 1.00 0.00 H new ATOM 0 HG23 VAL A 721 65.297 0.932 13.998 1.00 0.00 H new ATOM 593 N MET A 722 62.899 1.358 14.751 1.00 0.00 N ATOM 594 CA MET A 722 62.810 2.574 15.553 1.00 0.00 C ATOM 595 C MET A 722 61.707 2.443 16.600 1.00 0.00 C ATOM 596 O MET A 722 61.914 2.768 17.770 1.00 0.00 O ATOM 597 CB MET A 722 62.520 3.773 14.642 1.00 0.00 C ATOM 598 CG MET A 722 62.556 5.069 15.460 1.00 0.00 C ATOM 599 SD MET A 722 60.868 5.685 15.686 1.00 0.00 S ATOM 600 CE MET A 722 60.871 6.883 14.327 1.00 0.00 C ATOM 0 H MET A 722 62.595 1.465 13.783 1.00 0.00 H new ATOM 0 HA MET A 722 63.760 2.727 16.064 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.257 3.818 13.840 1.00 0.00 H new ATOM 0 HB3 MET A 722 61.544 3.656 14.172 1.00 0.00 H new ATOM 0 HG2 MET A 722 63.021 4.888 16.429 1.00 0.00 H new ATOM 0 HG3 MET A 722 63.163 5.817 14.950 1.00 0.00 H new ATOM 0 HE1 MET A 722 59.906 7.387 14.284 1.00 0.00 H new ATOM 0 HE2 MET A 722 61.658 7.619 14.493 1.00 0.00 H new ATOM 0 HE3 MET A 722 61.052 6.365 13.385 1.00 0.00 H new ATOM 610 N LEU A 723 60.619 1.780 16.218 1.00 0.00 N ATOM 611 CA LEU A 723 59.523 1.526 17.147 1.00 0.00 C ATOM 612 C LEU A 723 59.898 0.439 18.145 1.00 0.00 C ATOM 613 O LEU A 723 59.770 0.631 19.354 1.00 0.00 O ATOM 614 CB LEU A 723 58.273 1.106 16.372 1.00 0.00 C ATOM 615 CG LEU A 723 57.839 2.251 15.454 1.00 0.00 C ATOM 616 CD1 LEU A 723 56.686 1.783 14.567 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.383 3.440 16.304 1.00 0.00 C ATOM 0 H LEU A 723 60.473 1.411 15.278 1.00 0.00 H new ATOM 0 HA LEU A 723 59.320 2.445 17.697 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.479 0.211 15.784 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.469 0.855 17.064 1.00 0.00 H new ATOM 0 HG LEU A 723 58.678 2.554 14.827 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.376 2.598 13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.012 0.937 13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 723 55.846 1.480 15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.074 4.256 15.651 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.544 3.139 16.931 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.207 3.773 16.936 1.00 0.00 H new ATOM 629 N LYS A 724 60.517 -0.628 17.644 1.00 0.00 N ATOM 630 CA LYS A 724 60.806 -1.793 18.476 1.00 0.00 C ATOM 631 C LYS A 724 61.846 -1.449 19.542 1.00 0.00 C ATOM 632 O LYS A 724 62.984 -1.101 19.220 1.00 0.00 O ATOM 633 CB LYS A 724 61.318 -2.947 17.604 1.00 0.00 C ATOM 634 CG LYS A 724 61.699 -4.136 18.493 1.00 0.00 C ATOM 635 CD LYS A 724 61.678 -5.429 17.671 1.00 0.00 C ATOM 636 CE LYS A 724 62.202 -6.588 18.528 1.00 0.00 C ATOM 637 NZ LYS A 724 61.244 -7.728 18.466 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.825 -0.710 16.675 1.00 0.00 H new ATOM 0 HA LYS A 724 59.885 -2.098 18.973 1.00 0.00 H new ATOM 0 HB2 LYS A 724 60.550 -3.245 16.891 1.00 0.00 H new ATOM 0 HB3 LYS A 724 62.182 -2.622 17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 724 62.691 -3.981 18.918 1.00 0.00 H new ATOM 0 HG3 LYS A 724 61.003 -4.214 19.328 1.00 0.00 H new ATOM 0 HD2 LYS A 724 60.664 -5.642 17.334 1.00 0.00 H new ATOM 0 HD3 LYS A 724 62.293 -5.315 16.779 1.00 0.00 H new ATOM 0 HE2 LYS A 724 63.182 -6.904 18.171 1.00 0.00 H new ATOM 0 HE3 LYS A 724 62.329 -6.262 19.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 61.601 -8.513 19.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 60.318 -7.423 18.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 61.145 -8.045 17.480 1.00 0.00 H new ATOM 651 N LYS A 725 61.474 -1.650 20.806 1.00 0.00 N ATOM 652 CA LYS A 725 62.364 -1.359 21.930 1.00 0.00 C ATOM 653 C LYS A 725 62.863 0.084 21.870 1.00 0.00 C ATOM 654 O LYS A 725 63.995 0.341 21.456 1.00 0.00 O ATOM 655 CB LYS A 725 63.558 -2.324 21.928 1.00 0.00 C ATOM 656 CG LYS A 725 63.058 -3.770 22.030 1.00 0.00 C ATOM 657 CD LYS A 725 62.343 -3.979 23.370 1.00 0.00 C ATOM 658 CE LYS A 725 62.498 -5.437 23.814 1.00 0.00 C ATOM 659 NZ LYS A 725 61.938 -6.339 22.767 1.00 0.00 N1+ ATOM 0 H LYS A 725 60.561 -2.014 21.078 1.00 0.00 H new ATOM 0 HA LYS A 725 61.799 -1.492 22.852 1.00 0.00 H new ATOM 0 HB2 LYS A 725 64.140 -2.194 21.016 1.00 0.00 H new ATOM 0 HB3 LYS A 725 64.221 -2.099 22.764 1.00 0.00 H new ATOM 0 HG2 LYS A 725 62.378 -3.988 21.207 1.00 0.00 H new ATOM 0 HG3 LYS A 725 63.896 -4.461 21.943 1.00 0.00 H new ATOM 0 HD2 LYS A 725 62.761 -3.312 24.124 1.00 0.00 H new ATOM 0 HD3 LYS A 725 61.287 -3.728 23.273 1.00 0.00 H new ATOM 0 HE2 LYS A 725 63.550 -5.667 23.982 1.00 0.00 H new ATOM 0 HE3 LYS A 725 61.982 -5.597 24.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 61.808 -7.292 23.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 61.021 -5.970 22.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 62.594 -6.385 21.961 1.00 0.00 H new ATOM 673 N LYS A 726 62.086 0.990 22.460 1.00 0.00 N ATOM 674 CA LYS A 726 62.433 2.407 22.453 1.00 0.00 C ATOM 675 C LYS A 726 63.283 2.762 23.673 1.00 0.00 C ATOM 676 O LYS A 726 63.822 3.867 23.758 1.00 0.00 O ATOM 677 CB LYS A 726 61.155 3.255 22.451 1.00 0.00 C ATOM 678 CG LYS A 726 60.803 3.648 21.012 1.00 0.00 C ATOM 679 CD LYS A 726 59.382 4.221 20.965 1.00 0.00 C ATOM 680 CE LYS A 726 58.375 3.088 20.742 1.00 0.00 C ATOM 681 NZ LYS A 726 57.052 3.482 21.303 1.00 0.00 N1+ ATOM 0 H LYS A 726 61.217 0.769 22.946 1.00 0.00 H new ATOM 0 HA LYS A 726 63.011 2.616 21.553 1.00 0.00 H new ATOM 0 HB2 LYS A 726 60.334 2.694 22.897 1.00 0.00 H new ATOM 0 HB3 LYS A 726 61.298 4.149 23.058 1.00 0.00 H new ATOM 0 HG2 LYS A 726 61.515 4.386 20.642 1.00 0.00 H new ATOM 0 HG3 LYS A 726 60.876 2.778 20.359 1.00 0.00 H new ATOM 0 HD2 LYS A 726 59.158 4.741 21.896 1.00 0.00 H new ATOM 0 HD3 LYS A 726 59.302 4.955 20.163 1.00 0.00 H new ATOM 0 HE2 LYS A 726 58.281 2.874 19.677 1.00 0.00 H new ATOM 0 HE3 LYS A 726 58.727 2.174 21.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 56.368 2.713 21.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 57.148 3.665 22.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 56.716 4.343 20.827 1.00 0.00 H new ATOM 695 N GLN A 727 63.549 1.763 24.512 1.00 0.00 N ATOM 696 CA GLN A 727 64.380 1.964 25.697 1.00 0.00 C ATOM 697 C GLN A 727 65.820 1.533 25.424 1.00 0.00 C ATOM 698 O GLN A 727 66.099 0.869 24.425 1.00 0.00 O ATOM 699 CB GLN A 727 63.812 1.162 26.876 1.00 0.00 C ATOM 700 CG GLN A 727 63.954 -0.341 26.602 1.00 0.00 C ATOM 701 CD GLN A 727 63.049 -1.140 27.538 1.00 0.00 C ATOM 702 OE1 GLN A 727 62.868 -2.343 27.346 1.00 0.00 O ATOM 703 NE2 GLN A 727 62.505 -0.555 28.572 1.00 0.00 N ATOM 0 H GLN A 727 63.203 0.811 24.394 1.00 0.00 H new ATOM 0 HA GLN A 727 64.376 3.025 25.946 1.00 0.00 H new ATOM 0 HB2 GLN A 727 64.339 1.425 27.793 1.00 0.00 H new ATOM 0 HB3 GLN A 727 62.763 1.415 27.028 1.00 0.00 H new ATOM 0 HG2 GLN A 727 63.695 -0.554 25.565 1.00 0.00 H new ATOM 0 HG3 GLN A 727 64.991 -0.646 26.740 1.00 0.00 H new ATOM 0 HE21 GLN A 727 62.655 0.441 28.732 1.00 0.00 H new ATOM 0 HE22 GLN A 727 61.931 -1.095 29.220 1.00 0.00 H new ATOM 712 N TYR A 728 66.719 1.872 26.349 1.00 0.00 N ATOM 713 CA TYR A 728 68.132 1.512 26.213 1.00 0.00 C ATOM 714 C TYR A 728 68.679 1.967 24.862 1.00 0.00 C ATOM 715 O TYR A 728 69.456 2.919 24.785 1.00 0.00 O ATOM 716 CB TYR A 728 68.303 -0.006 26.358 1.00 0.00 C ATOM 717 CG TYR A 728 69.768 -0.367 26.250 1.00 0.00 C ATOM 718 CD1 TYR A 728 70.633 -0.120 27.324 1.00 0.00 C ATOM 719 CD2 TYR A 728 70.255 -0.981 25.088 1.00 0.00 C ATOM 720 CE1 TYR A 728 71.998 -0.408 27.204 1.00 0.00 C ATOM 721 CE2 TYR A 728 71.619 -1.275 24.971 1.00 0.00 C ATOM 722 CZ TYR A 728 72.491 -0.986 26.028 1.00 0.00 C ATOM 723 OH TYR A 728 73.822 -1.339 25.939 1.00 0.00 O ATOM 0 H TYR A 728 66.496 2.393 27.197 1.00 0.00 H new ATOM 0 HA TYR A 728 68.692 2.015 27.001 1.00 0.00 H new ATOM 0 HB2 TYR A 728 67.907 -0.336 27.318 1.00 0.00 H new ATOM 0 HB3 TYR A 728 67.734 -0.521 25.584 1.00 0.00 H new ATOM 0 HD1 TYR A 728 70.247 0.293 28.244 1.00 0.00 H new ATOM 0 HD2 TYR A 728 69.578 -1.227 24.283 1.00 0.00 H new ATOM 0 HE1 TYR A 728 72.671 -0.184 28.019 1.00 0.00 H new ATOM 0 HE2 TYR A 728 71.999 -1.725 24.065 1.00 0.00 H new ATOM 0 HH TYR A 728 73.999 -1.728 25.057 1.00 0.00 H new TER 733 TYR A 728