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= -0.463! C(o=-0.46!,f=-0.83!) USER MOD Single : A 685 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 686 GLN : amide:sc= 0.237 K(o=0.24,f=-3.8!) USER MOD Single : A 687 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.526) USER MOD Single : A 697 SER OG : rot -44:sc= 0.346 USER MOD Single : A 698 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.41) 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= 0.0527 USER MOD Single : A 719 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.316) USER MOD Single : A 725 LYS NZ :NH3+ 159:sc= -0.0121 (180deg=-0.134) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 50.325 19.132 7.157 1.00 0.00 N ATOM 2 CA VAL A 683 50.859 17.858 6.689 1.00 0.00 C ATOM 3 C VAL A 683 51.161 17.926 5.194 1.00 0.00 C ATOM 4 O VAL A 683 50.294 18.277 4.392 1.00 0.00 O ATOM 5 CB VAL A 683 49.849 16.734 6.964 1.00 0.00 C ATOM 6 CG1 VAL A 683 50.420 15.396 6.476 1.00 0.00 C ATOM 7 CG2 VAL A 683 49.566 16.648 8.470 1.00 0.00 C ATOM 0 HA VAL A 683 51.784 17.649 7.226 1.00 0.00 H new ATOM 0 HB VAL A 683 48.922 16.949 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 683 49.701 14.600 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 683 50.615 15.453 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 683 51.350 15.183 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 683 48.849 15.849 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 683 50.493 16.438 9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 683 49.154 17.596 8.818 1.00 0.00 H new ATOM 16 N HIS A 684 52.429 17.720 4.847 1.00 0.00 N ATOM 17 CA HIS A 684 52.848 17.738 3.445 1.00 0.00 C ATOM 18 C HIS A 684 52.079 16.694 2.641 1.00 0.00 C ATOM 19 O HIS A 684 51.808 16.890 1.457 1.00 0.00 O ATOM 20 CB HIS A 684 54.356 17.465 3.328 1.00 0.00 C ATOM 21 CG HIS A 684 54.859 16.784 4.574 1.00 0.00 C ATOM 22 ND1 HIS A 684 55.470 17.493 5.596 1.00 0.00 N ATOM 23 CD2 HIS A 684 54.651 15.520 5.071 1.00 0.00 C ATOM 24 CE1 HIS A 684 55.724 16.628 6.593 1.00 0.00 C ATOM 25 NE2 HIS A 684 55.192 15.428 6.350 1.00 0.00 N ATOM 0 H HIS A 684 53.181 17.540 5.512 1.00 0.00 H new ATOM 0 HA HIS A 684 52.632 18.728 3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 684 54.553 16.839 2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 684 54.892 18.402 3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 684 54.145 14.721 4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 684 56.288 16.873 7.480 1.00 0.00 H new ATOM 0 HE2 HIS A 684 55.184 14.617 6.969 1.00 0.00 H new ATOM 33 N HIS A 685 51.688 15.607 3.309 1.00 0.00 N ATOM 34 CA HIS A 685 50.851 14.583 2.687 1.00 0.00 C ATOM 35 C HIS A 685 51.627 13.838 1.605 1.00 0.00 C ATOM 36 O HIS A 685 51.999 14.417 0.582 1.00 0.00 O ATOM 37 CB HIS A 685 49.595 15.223 2.078 1.00 0.00 C ATOM 38 CG HIS A 685 48.447 14.254 2.155 1.00 0.00 C ATOM 39 ND1 HIS A 685 47.224 14.601 2.708 1.00 0.00 N ATOM 40 CD2 HIS A 685 48.278 12.992 1.641 1.00 0.00 C ATOM 41 CE1 HIS A 685 46.402 13.546 2.572 1.00 0.00 C ATOM 42 NE2 HIS A 685 46.992 12.539 1.921 1.00 0.00 N ATOM 0 H HIS A 685 51.938 15.415 4.279 1.00 0.00 H new ATOM 0 HA HIS A 685 50.553 13.871 3.457 1.00 0.00 H new ATOM 0 HB2 HIS A 685 49.346 16.140 2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 685 49.782 15.499 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 685 49.029 12.435 1.101 1.00 0.00 H new ATOM 0 HE1 HIS A 685 45.388 13.516 2.944 1.00 0.00 H new ATOM 0 HE2 HIS A 685 46.587 11.634 1.681 1.00 0.00 H new ATOM 50 N GLN A 686 51.895 12.558 1.853 1.00 0.00 N ATOM 51 CA GLN A 686 52.763 11.780 0.974 1.00 0.00 C ATOM 52 C GLN A 686 52.086 11.549 -0.376 1.00 0.00 C ATOM 53 O GLN A 686 51.085 10.838 -0.459 1.00 0.00 O ATOM 54 CB GLN A 686 53.090 10.430 1.623 1.00 0.00 C ATOM 55 CG GLN A 686 53.811 10.658 2.958 1.00 0.00 C ATOM 56 CD GLN A 686 52.927 10.204 4.117 1.00 0.00 C ATOM 57 OE1 GLN A 686 51.784 10.649 4.239 1.00 0.00 O ATOM 58 NE2 GLN A 686 53.408 9.382 5.010 1.00 0.00 N ATOM 0 H GLN A 686 51.526 12.040 2.651 1.00 0.00 H new ATOM 0 HA GLN A 686 53.686 12.338 0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 686 52.174 9.863 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 686 53.717 9.838 0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 686 54.752 10.107 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 686 54.058 11.714 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 686 54.354 9.015 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 686 52.838 9.107 5.810 1.00 0.00 H new ATOM 67 N LYS A 687 52.498 12.335 -1.369 1.00 0.00 N ATOM 68 CA LYS A 687 51.877 12.283 -2.691 1.00 0.00 C ATOM 69 C LYS A 687 52.160 10.943 -3.367 1.00 0.00 C ATOM 70 O LYS A 687 53.314 10.606 -3.631 1.00 0.00 O ATOM 71 CB LYS A 687 52.421 13.419 -3.563 1.00 0.00 C ATOM 72 CG LYS A 687 51.863 14.758 -3.071 1.00 0.00 C ATOM 73 CD LYS A 687 50.716 15.205 -3.984 1.00 0.00 C ATOM 74 CE LYS A 687 49.914 16.317 -3.300 1.00 0.00 C ATOM 75 NZ LYS A 687 50.847 17.343 -2.753 1.00 0.00 N1+ ATOM 0 H LYS A 687 53.256 13.013 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 687 50.799 12.395 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 687 53.510 13.431 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 687 52.141 13.258 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 687 51.507 14.660 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 687 52.651 15.511 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 687 51.113 15.562 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 687 50.066 14.359 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 687 49.229 16.777 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 687 49.306 15.900 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 50.332 18.234 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 51.239 17.009 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 51.622 17.503 -3.428 1.00 0.00 H new ATOM 89 N LEU A 688 51.094 10.234 -3.734 1.00 0.00 N ATOM 90 CA LEU A 688 51.230 8.986 -4.485 1.00 0.00 C ATOM 91 C LEU A 688 49.874 8.540 -5.022 1.00 0.00 C ATOM 92 O LEU A 688 49.635 8.581 -6.228 1.00 0.00 O ATOM 93 CB LEU A 688 51.809 7.890 -3.581 1.00 0.00 C ATOM 94 CG LEU A 688 53.210 7.498 -4.071 1.00 0.00 C ATOM 95 CD1 LEU A 688 54.013 6.912 -2.906 1.00 0.00 C ATOM 96 CD2 LEU A 688 53.092 6.456 -5.189 1.00 0.00 C ATOM 0 H LEU A 688 50.132 10.500 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 688 51.905 9.158 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 688 51.860 8.244 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 688 51.155 7.018 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 688 53.720 8.382 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 688 55.008 6.633 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 688 54.100 7.656 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 688 53.503 6.029 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 688 54.088 6.179 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 688 52.581 5.571 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 688 52.523 6.875 -6.019 1.00 0.00 H new ATOM 108 N VAL A 689 48.932 8.333 -4.105 1.00 0.00 N ATOM 109 CA VAL A 689 47.604 7.847 -4.470 1.00 0.00 C ATOM 110 C VAL A 689 46.700 9.012 -4.869 1.00 0.00 C ATOM 111 O VAL A 689 45.962 8.917 -5.849 1.00 0.00 O ATOM 112 CB VAL A 689 46.976 7.085 -3.292 1.00 0.00 C ATOM 113 CG1 VAL A 689 47.302 5.591 -3.417 1.00 0.00 C ATOM 114 CG2 VAL A 689 47.538 7.617 -1.967 1.00 0.00 C ATOM 0 H VAL A 689 49.063 8.494 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 689 47.706 7.172 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 689 45.896 7.229 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 689 46.857 5.050 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 689 46.898 5.208 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 689 48.383 5.452 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 689 47.089 7.073 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 689 48.619 7.479 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 689 47.306 8.678 -1.873 1.00 0.00 H new ATOM 124 N PHE A 690 46.962 10.174 -4.281 1.00 0.00 N ATOM 125 CA PHE A 690 46.139 11.353 -4.531 1.00 0.00 C ATOM 126 C PHE A 690 46.145 11.708 -6.017 1.00 0.00 C ATOM 127 O PHE A 690 45.147 12.193 -6.550 1.00 0.00 O ATOM 128 CB PHE A 690 46.667 12.535 -3.711 1.00 0.00 C ATOM 129 CG PHE A 690 46.045 13.823 -4.204 1.00 0.00 C ATOM 130 CD1 PHE A 690 44.668 14.035 -4.054 1.00 0.00 C ATOM 131 CD2 PHE A 690 46.809 14.715 -4.969 1.00 0.00 C ATOM 132 CE1 PHE A 690 44.045 15.084 -4.741 1.00 0.00 C ATOM 133 CE2 PHE A 690 46.198 15.817 -5.578 1.00 0.00 C ATOM 134 CZ PHE A 690 44.818 16.013 -5.446 1.00 0.00 C ATOM 0 H PHE A 690 47.733 10.325 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 690 45.114 11.133 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 690 46.435 12.389 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 690 47.752 12.590 -3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 690 44.088 13.391 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 690 47.870 14.552 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 690 42.969 15.176 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 690 46.791 16.516 -6.150 1.00 0.00 H new ATOM 0 HZ PHE A 690 44.351 16.881 -5.888 1.00 0.00 H new ATOM 144 N PHE A 691 47.221 11.325 -6.704 1.00 0.00 N ATOM 145 CA PHE A 691 47.281 11.449 -8.157 1.00 0.00 C ATOM 146 C PHE A 691 46.999 10.105 -8.824 1.00 0.00 C ATOM 147 O PHE A 691 46.092 9.995 -9.651 1.00 0.00 O ATOM 148 CB PHE A 691 48.666 11.956 -8.575 1.00 0.00 C ATOM 149 CG PHE A 691 48.523 13.296 -9.261 1.00 0.00 C ATOM 150 CD1 PHE A 691 48.157 13.340 -10.612 1.00 0.00 C ATOM 151 CD2 PHE A 691 48.460 14.461 -8.485 1.00 0.00 C ATOM 152 CE1 PHE A 691 47.862 14.565 -11.217 1.00 0.00 C ATOM 153 CE2 PHE A 691 48.104 15.677 -9.079 1.00 0.00 C ATOM 154 CZ PHE A 691 47.808 15.732 -10.446 1.00 0.00 C ATOM 0 H PHE A 691 48.059 10.928 -6.278 1.00 0.00 H new ATOM 0 HA PHE A 691 46.521 12.161 -8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 691 49.311 12.049 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 691 49.140 11.240 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 691 48.103 12.427 -11.187 1.00 0.00 H new ATOM 0 HD2 PHE A 691 48.686 14.421 -7.430 1.00 0.00 H new ATOM 0 HE1 PHE A 691 47.676 14.611 -12.280 1.00 0.00 H new ATOM 0 HE2 PHE A 691 48.058 16.575 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 691 47.539 16.672 -10.904 1.00 0.00 H new ATOM 164 N ALA A 692 47.655 9.058 -8.328 1.00 0.00 N ATOM 165 CA ALA A 692 47.762 7.806 -9.074 1.00 0.00 C ATOM 166 C ALA A 692 46.582 6.886 -8.766 1.00 0.00 C ATOM 167 O ALA A 692 46.471 5.799 -9.332 1.00 0.00 O ATOM 168 CB ALA A 692 49.069 7.096 -8.716 1.00 0.00 C ATOM 0 H ALA A 692 48.118 9.051 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 692 47.752 8.042 -10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 692 49.142 6.164 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 692 49.913 7.738 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 692 49.085 6.880 -7.648 1.00 0.00 H new ATOM 174 N GLU A 693 45.666 7.365 -7.927 1.00 0.00 N ATOM 175 CA GLU A 693 44.449 6.620 -7.625 1.00 0.00 C ATOM 176 C GLU A 693 43.539 6.558 -8.849 1.00 0.00 C ATOM 177 O GLU A 693 42.840 5.565 -9.057 1.00 0.00 O ATOM 178 CB GLU A 693 43.707 7.288 -6.462 1.00 0.00 C ATOM 179 CG GLU A 693 42.416 6.524 -6.160 1.00 0.00 C ATOM 180 CD GLU A 693 41.920 6.875 -4.760 1.00 0.00 C ATOM 181 OE1 GLU A 693 42.408 6.278 -3.814 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 41.128 7.797 -4.647 1.00 0.00 O ATOM 0 H GLU A 693 45.744 8.262 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 693 44.725 5.604 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 693 44.343 7.308 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 693 43.477 8.323 -6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 693 41.654 6.774 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 693 42.592 5.451 -6.234 1.00 0.00 H new ATOM 189 N ASP A 694 43.718 7.514 -9.758 1.00 0.00 N ATOM 190 CA ASP A 694 42.931 7.544 -10.989 1.00 0.00 C ATOM 191 C ASP A 694 43.277 6.351 -11.871 1.00 0.00 C ATOM 192 O ASP A 694 42.438 5.863 -12.627 1.00 0.00 O ATOM 193 CB ASP A 694 43.206 8.845 -11.757 1.00 0.00 C ATOM 194 CG ASP A 694 42.149 9.069 -12.843 1.00 0.00 C ATOM 195 OD1 ASP A 694 41.046 8.566 -12.687 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 42.399 9.884 -13.715 1.00 0.00 O ATOM 0 H ASP A 694 44.395 8.272 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 694 41.875 7.495 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 694 43.208 9.688 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 694 44.196 8.803 -12.210 1.00 0.00 H new ATOM 201 N VAL A 695 44.483 5.822 -11.689 1.00 0.00 N ATOM 202 CA VAL A 695 44.904 4.626 -12.407 1.00 0.00 C ATOM 203 C VAL A 695 44.151 3.401 -11.896 1.00 0.00 C ATOM 204 O VAL A 695 43.786 2.517 -12.672 1.00 0.00 O ATOM 205 CB VAL A 695 46.412 4.418 -12.225 1.00 0.00 C ATOM 206 CG1 VAL A 695 46.868 3.195 -13.032 1.00 0.00 C ATOM 207 CG2 VAL A 695 47.171 5.659 -12.711 1.00 0.00 C ATOM 0 H VAL A 695 45.183 6.202 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 695 44.679 4.758 -13.465 1.00 0.00 H new ATOM 0 HB VAL A 695 46.623 4.255 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 695 47.940 3.051 -12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 695 46.337 2.310 -12.682 1.00 0.00 H new ATOM 0 HG13 VAL A 695 46.651 3.354 -14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 695 48.242 5.505 -12.579 1.00 0.00 H new ATOM 0 HG22 VAL A 695 46.956 5.827 -13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 695 46.855 6.528 -12.133 1.00 0.00 H new ATOM 217 N GLY A 696 43.913 3.360 -10.586 1.00 0.00 N ATOM 218 CA GLY A 696 43.211 2.230 -9.981 1.00 0.00 C ATOM 219 C GLY A 696 43.054 2.421 -8.474 1.00 0.00 C ATOM 220 O GLY A 696 43.835 3.133 -7.842 1.00 0.00 O ATOM 0 H GLY A 696 44.193 4.088 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 696 42.229 2.120 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 696 43.760 1.309 -10.178 1.00 0.00 H new ATOM 224 N SER A 697 42.115 1.679 -7.889 1.00 0.00 N ATOM 225 CA SER A 697 41.812 1.816 -6.466 1.00 0.00 C ATOM 226 C SER A 697 41.227 0.517 -5.917 1.00 0.00 C ATOM 227 O SER A 697 40.892 0.430 -4.734 1.00 0.00 O ATOM 228 CB SER A 697 40.819 2.964 -6.255 1.00 0.00 C ATOM 229 OG SER A 697 40.754 3.290 -4.874 1.00 0.00 O ATOM 0 H SER A 697 41.554 0.980 -8.376 1.00 0.00 H new ATOM 0 HA SER A 697 42.736 2.035 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 697 41.128 3.836 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 697 39.832 2.676 -6.618 1.00 0.00 H new ATOM 0 HG SER A 697 40.710 2.466 -4.345 1.00 0.00 H new ATOM 235 N ASN A 698 41.267 -0.534 -6.737 1.00 0.00 N ATOM 236 CA ASN A 698 40.599 -1.790 -6.398 1.00 0.00 C ATOM 237 C ASN A 698 41.355 -2.514 -5.289 1.00 0.00 C ATOM 238 O ASN A 698 42.579 -2.646 -5.345 1.00 0.00 O ATOM 239 CB ASN A 698 40.509 -2.702 -7.631 1.00 0.00 C ATOM 240 CG ASN A 698 40.602 -1.878 -8.914 1.00 0.00 C ATOM 241 OD1 ASN A 698 41.608 -1.944 -9.622 1.00 0.00 O ATOM 242 ND2 ASN A 698 39.610 -1.105 -9.258 1.00 0.00 N ATOM 0 H ASN A 698 41.752 -0.541 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 698 39.593 -1.554 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.312 -3.438 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.570 -3.255 -7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 698 39.666 -0.554 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 698 38.778 -1.051 -8.671 1.00 0.00 H new ATOM 249 N LYS A 699 40.606 -3.073 -4.342 1.00 0.00 N ATOM 250 CA LYS A 699 41.211 -3.726 -3.185 1.00 0.00 C ATOM 251 C LYS A 699 41.778 -5.089 -3.571 1.00 0.00 C ATOM 252 O LYS A 699 42.692 -5.595 -2.918 1.00 0.00 O ATOM 253 CB LYS A 699 40.163 -3.905 -2.081 1.00 0.00 C ATOM 254 CG LYS A 699 39.822 -2.545 -1.467 1.00 0.00 C ATOM 255 CD LYS A 699 38.897 -2.749 -0.262 1.00 0.00 C ATOM 256 CE LYS A 699 38.115 -1.462 0.013 1.00 0.00 C ATOM 257 NZ LYS A 699 37.606 -1.484 1.413 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.586 -3.087 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 699 42.023 -3.097 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.264 -4.365 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 699 40.543 -4.577 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.734 -2.034 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 699 39.337 -1.910 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 699 38.207 -3.570 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 699 39.482 -3.025 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 699 38.756 -0.594 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 699 37.284 -1.371 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 37.074 -0.611 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 36.981 -2.305 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 38.407 -1.552 2.073 1.00 0.00 H new ATOM 271 N GLY A 700 41.132 -5.739 -4.535 1.00 0.00 N ATOM 272 CA GLY A 700 41.617 -7.018 -5.048 1.00 0.00 C ATOM 273 C GLY A 700 42.989 -6.861 -5.699 1.00 0.00 C ATOM 274 O GLY A 700 43.823 -7.763 -5.621 1.00 0.00 O ATOM 0 H GLY A 700 40.275 -5.404 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.677 -7.741 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 700 40.909 -7.414 -5.775 1.00 0.00 H new ATOM 278 N ALA A 701 43.291 -5.635 -6.124 1.00 0.00 N ATOM 279 CA ALA A 701 44.577 -5.342 -6.746 1.00 0.00 C ATOM 280 C ALA A 701 45.712 -5.481 -5.735 1.00 0.00 C ATOM 281 O ALA A 701 46.846 -5.785 -6.102 1.00 0.00 O ATOM 282 CB ALA A 701 44.569 -3.920 -7.312 1.00 0.00 C ATOM 0 H ALA A 701 42.665 -4.834 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 701 44.738 -6.057 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.532 -3.707 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.780 -3.830 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.389 -3.209 -6.506 1.00 0.00 H new ATOM 288 N ILE A 702 45.371 -5.366 -4.452 1.00 0.00 N ATOM 289 CA ILE A 702 46.375 -5.407 -3.392 1.00 0.00 C ATOM 290 C ILE A 702 47.126 -6.734 -3.416 1.00 0.00 C ATOM 291 O ILE A 702 48.346 -6.764 -3.266 1.00 0.00 O ATOM 292 CB ILE A 702 45.698 -5.224 -2.028 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.110 -3.810 -1.937 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.727 -5.427 -0.909 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.148 -3.722 -0.747 1.00 0.00 C ATOM 0 H ILE A 702 44.413 -5.244 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 702 47.087 -4.598 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 702 44.900 -5.958 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.911 -3.080 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.584 -3.565 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 702 46.243 -5.296 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 702 47.142 -6.433 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 702 47.529 -4.696 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.734 -2.716 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.339 -4.440 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 702 44.686 -3.948 0.174 1.00 0.00 H new ATOM 307 N ILE A 703 46.420 -7.793 -3.804 1.00 0.00 N ATOM 308 CA ILE A 703 47.024 -9.117 -3.900 1.00 0.00 C ATOM 309 C ILE A 703 48.189 -9.103 -4.885 1.00 0.00 C ATOM 310 O ILE A 703 49.310 -9.471 -4.533 1.00 0.00 O ATOM 311 CB ILE A 703 45.969 -10.131 -4.354 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.944 -10.337 -3.232 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.644 -11.468 -4.684 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.611 -10.801 -3.825 1.00 0.00 C ATOM 0 H ILE A 703 45.432 -7.760 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 703 47.404 -9.403 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 703 45.465 -9.754 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.313 -11.076 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.803 -9.407 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.890 -12.186 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.371 -11.321 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.151 -11.848 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.887 -10.946 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.239 -10.047 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.757 -11.742 -4.356 1.00 0.00 H new ATOM 326 N GLY A 704 47.974 -8.451 -6.025 1.00 0.00 N ATOM 327 CA GLY A 704 48.999 -8.376 -7.058 1.00 0.00 C ATOM 328 C GLY A 704 50.074 -7.357 -6.684 1.00 0.00 C ATOM 329 O GLY A 704 51.264 -7.672 -6.694 1.00 0.00 O ATOM 0 H GLY A 704 47.104 -7.970 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.454 -9.357 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.544 -8.098 -8.009 1.00 0.00 H new ATOM 333 N LEU A 705 49.632 -6.227 -6.134 1.00 0.00 N ATOM 334 CA LEU A 705 50.542 -5.135 -5.799 1.00 0.00 C ATOM 335 C LEU A 705 51.392 -5.492 -4.584 1.00 0.00 C ATOM 336 O LEU A 705 52.539 -5.058 -4.478 1.00 0.00 O ATOM 337 CB LEU A 705 49.741 -3.863 -5.507 1.00 0.00 C ATOM 338 CG LEU A 705 48.979 -3.434 -6.766 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.891 -2.424 -6.388 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.951 -2.794 -7.761 1.00 0.00 C ATOM 0 H LEU A 705 48.653 -6.045 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 705 51.203 -4.965 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.042 -4.041 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.411 -3.065 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 705 48.517 -4.308 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.350 -2.120 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.197 -2.883 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.351 -1.550 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.408 -2.490 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.417 -1.921 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.722 -3.516 -8.032 1.00 0.00 H new ATOM 352 N MET A 706 50.904 -6.443 -3.791 1.00 0.00 N ATOM 353 CA MET A 706 51.604 -6.850 -2.577 1.00 0.00 C ATOM 354 C MET A 706 52.863 -7.640 -2.926 1.00 0.00 C ATOM 355 O MET A 706 53.855 -7.597 -2.197 1.00 0.00 O ATOM 356 CB MET A 706 50.681 -7.708 -1.705 1.00 0.00 C ATOM 357 CG MET A 706 51.449 -8.223 -0.482 1.00 0.00 C ATOM 358 SD MET A 706 52.244 -9.796 -0.895 1.00 0.00 S ATOM 359 CE MET A 706 51.569 -10.769 0.476 1.00 0.00 C ATOM 0 H MET A 706 50.032 -6.943 -3.966 1.00 0.00 H new ATOM 0 HA MET A 706 51.893 -5.955 -2.026 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.820 -7.121 -1.384 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.296 -8.548 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.198 -7.493 -0.175 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.769 -8.356 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.939 -11.792 0.413 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.881 -10.328 1.423 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.481 -10.772 0.418 1.00 0.00 H new ATOM 369 N VAL A 707 52.851 -8.271 -4.098 1.00 0.00 N ATOM 370 CA VAL A 707 54.040 -8.951 -4.600 1.00 0.00 C ATOM 371 C VAL A 707 55.179 -7.955 -4.798 1.00 0.00 C ATOM 372 O VAL A 707 56.300 -8.184 -4.339 1.00 0.00 O ATOM 373 CB VAL A 707 53.727 -9.643 -5.932 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.955 -10.430 -6.400 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.542 -10.601 -5.754 1.00 0.00 C ATOM 0 H VAL A 707 52.038 -8.325 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 707 54.345 -9.698 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 707 53.471 -8.890 -6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.733 -10.922 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.795 -9.748 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.213 -11.181 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.324 -11.090 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.792 -11.354 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.667 -10.040 -5.425 1.00 0.00 H new ATOM 385 N GLY A 708 54.837 -6.779 -5.318 1.00 0.00 N ATOM 386 CA GLY A 708 55.823 -5.723 -5.527 1.00 0.00 C ATOM 387 C GLY A 708 56.091 -4.959 -4.234 1.00 0.00 C ATOM 388 O GLY A 708 56.976 -4.103 -4.186 1.00 0.00 O ATOM 0 H GLY A 708 53.888 -6.534 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.752 -6.157 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.466 -5.034 -6.293 1.00 0.00 H new ATOM 392 N GLY A 709 55.440 -5.388 -3.153 1.00 0.00 N ATOM 393 CA GLY A 709 55.611 -4.741 -1.856 1.00 0.00 C ATOM 394 C GLY A 709 56.782 -5.351 -1.090 1.00 0.00 C ATOM 395 O GLY A 709 56.847 -5.257 0.136 1.00 0.00 O ATOM 0 H GLY A 709 54.793 -6.177 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.781 -3.674 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.697 -4.843 -1.271 1.00 0.00 H new ATOM 399 N VAL A 710 57.741 -5.907 -1.827 1.00 0.00 N ATOM 400 CA VAL A 710 58.974 -6.403 -1.221 1.00 0.00 C ATOM 401 C VAL A 710 59.899 -5.245 -0.859 1.00 0.00 C ATOM 402 O VAL A 710 60.529 -5.250 0.199 1.00 0.00 O ATOM 403 CB VAL A 710 59.696 -7.353 -2.187 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.106 -8.761 -2.056 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.529 -6.860 -3.630 1.00 0.00 C ATOM 0 H VAL A 710 57.689 -6.025 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 710 58.712 -6.944 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 710 60.757 -7.376 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.619 -9.436 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 710 59.235 -9.116 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 710 58.044 -8.734 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.044 -7.540 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.469 -6.828 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.955 -5.861 -3.725 1.00 0.00 H new ATOM 415 N VAL A 711 60.012 -4.279 -1.766 1.00 0.00 N ATOM 416 CA VAL A 711 60.951 -3.177 -1.588 1.00 0.00 C ATOM 417 C VAL A 711 60.462 -2.231 -0.494 1.00 0.00 C ATOM 418 O VAL A 711 61.226 -1.857 0.397 1.00 0.00 O ATOM 419 CB VAL A 711 61.119 -2.410 -2.905 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.760 -1.875 -3.374 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.087 -1.239 -2.699 1.00 0.00 C ATOM 0 H VAL A 711 59.468 -4.237 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 711 61.915 -3.588 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 711 61.520 -3.084 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.886 -1.331 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.074 -2.708 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.352 -1.205 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.205 -0.695 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.689 -0.568 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 711 63.056 -1.620 -2.376 1.00 0.00 H new ATOM 431 N ILE A 712 59.149 -2.015 -0.459 1.00 0.00 N ATOM 432 CA ILE A 712 58.557 -1.121 0.530 1.00 0.00 C ATOM 433 C ILE A 712 58.451 -1.817 1.885 1.00 0.00 C ATOM 434 O ILE A 712 58.477 -1.167 2.930 1.00 0.00 O ATOM 435 CB ILE A 712 57.166 -0.674 0.062 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.690 0.505 0.922 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.177 -1.839 0.188 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.273 0.910 0.508 1.00 0.00 C ATOM 0 H ILE A 712 58.480 -2.443 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 712 59.199 -0.246 0.638 1.00 0.00 H new ATOM 0 HB ILE A 712 57.219 -0.362 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.706 0.228 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.369 1.350 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.191 -1.517 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.515 -2.671 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.122 -2.158 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 712 54.940 1.747 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.271 1.206 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.598 0.066 0.648 1.00 0.00 H new ATOM 450 N ALA A 713 58.391 -3.149 1.858 1.00 0.00 N ATOM 451 CA ALA A 713 58.369 -3.931 3.089 1.00 0.00 C ATOM 452 C ALA A 713 59.639 -3.690 3.898 1.00 0.00 C ATOM 453 O ALA A 713 59.575 -3.133 4.993 1.00 0.00 O ATOM 454 CB ALA A 713 58.241 -5.422 2.762 1.00 0.00 C ATOM 0 H ALA A 713 58.357 -3.703 1.002 1.00 0.00 H new ATOM 0 HA ALA A 713 57.510 -3.617 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.225 -5.997 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.317 -5.596 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.090 -5.735 2.154 1.00 0.00 H new ATOM 460 N THR A 714 60.782 -3.818 3.227 1.00 0.00 N ATOM 461 CA THR A 714 62.074 -3.617 3.880 1.00 0.00 C ATOM 462 C THR A 714 62.169 -2.206 4.453 1.00 0.00 C ATOM 463 O THR A 714 62.525 -2.028 5.618 1.00 0.00 O ATOM 464 CB THR A 714 63.209 -3.835 2.873 1.00 0.00 C ATOM 465 OG1 THR A 714 62.809 -4.793 1.904 1.00 0.00 O ATOM 466 CG2 THR A 714 64.456 -4.341 3.604 1.00 0.00 C ATOM 0 H THR A 714 60.840 -4.058 2.237 1.00 0.00 H new ATOM 0 HA THR A 714 62.165 -4.337 4.693 1.00 0.00 H new ATOM 0 HB THR A 714 63.436 -2.891 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.535 -4.930 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.261 -4.495 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.767 -3.605 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 714 64.229 -5.284 4.102 1.00 0.00 H new ATOM 474 N VAL A 715 61.628 -1.246 3.709 1.00 0.00 N ATOM 475 CA VAL A 715 61.655 0.151 4.127 1.00 0.00 C ATOM 476 C VAL A 715 60.817 0.347 5.388 1.00 0.00 C ATOM 477 O VAL A 715 61.341 0.737 6.432 1.00 0.00 O ATOM 478 CB VAL A 715 61.107 1.038 3.001 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.133 2.506 3.437 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.966 0.862 1.743 1.00 0.00 C ATOM 0 H VAL A 715 61.166 -1.410 2.814 1.00 0.00 H new ATOM 0 HA VAL A 715 62.686 0.431 4.344 1.00 0.00 H new ATOM 0 HB VAL A 715 60.080 0.746 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.743 3.131 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.517 2.632 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.158 2.801 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.575 1.493 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.995 1.149 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.940 -0.181 1.427 1.00 0.00 H new ATOM 490 N ILE A 716 59.583 -0.144 5.335 1.00 0.00 N ATOM 491 CA ILE A 716 58.667 -0.033 6.466 1.00 0.00 C ATOM 492 C ILE A 716 59.168 -0.863 7.646 1.00 0.00 C ATOM 493 O ILE A 716 58.994 -0.480 8.805 1.00 0.00 O ATOM 494 CB ILE A 716 57.272 -0.513 6.039 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.555 0.607 5.268 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.449 -0.907 7.273 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.063 1.689 6.238 1.00 0.00 C ATOM 0 H ILE A 716 59.194 -0.622 4.522 1.00 0.00 H new ATOM 0 HA ILE A 716 58.614 1.010 6.779 1.00 0.00 H new ATOM 0 HB ILE A 716 57.377 -1.385 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.233 1.046 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.712 0.195 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.462 -1.246 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.956 -1.711 7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.344 -0.044 7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.557 2.476 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.368 1.248 6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 716 56.913 2.113 6.772 1.00 0.00 H new ATOM 509 N VAL A 717 59.739 -2.025 7.343 1.00 0.00 N ATOM 510 CA VAL A 717 60.169 -2.953 8.383 1.00 0.00 C ATOM 511 C VAL A 717 61.369 -2.386 9.136 1.00 0.00 C ATOM 512 O VAL A 717 61.393 -2.387 10.367 1.00 0.00 O ATOM 513 CB VAL A 717 60.539 -4.303 7.754 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.291 -5.162 8.776 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.265 -5.032 7.315 1.00 0.00 C ATOM 0 H VAL A 717 59.914 -2.345 6.390 1.00 0.00 H new ATOM 0 HA VAL A 717 59.349 -3.096 9.087 1.00 0.00 H new ATOM 0 HB VAL A 717 61.177 -4.131 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.552 -6.119 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.201 -4.647 9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.656 -5.331 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.530 -5.990 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.625 -5.200 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.733 -4.425 6.582 1.00 0.00 H new ATOM 525 N ILE A 718 62.269 -1.745 8.395 1.00 0.00 N ATOM 526 CA ILE A 718 63.477 -1.182 8.991 1.00 0.00 C ATOM 527 C ILE A 718 63.118 -0.043 9.944 1.00 0.00 C ATOM 528 O ILE A 718 63.703 0.080 11.022 1.00 0.00 O ATOM 529 CB ILE A 718 64.409 -0.666 7.884 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.125 -1.851 7.224 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.450 0.288 8.482 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.730 -1.408 5.888 1.00 0.00 C ATOM 0 H ILE A 718 62.186 -1.603 7.388 1.00 0.00 H new ATOM 0 HA ILE A 718 63.988 -1.961 9.557 1.00 0.00 H new ATOM 0 HB ILE A 718 63.818 -0.133 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.908 -2.228 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.423 -2.669 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.108 0.650 7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.944 1.133 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.040 -0.240 9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.238 -2.252 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.937 -1.052 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.446 -0.604 6.061 1.00 0.00 H new ATOM 544 N THR A 719 62.064 0.694 9.605 1.00 0.00 N ATOM 545 CA THR A 719 61.575 1.764 10.468 1.00 0.00 C ATOM 546 C THR A 719 60.848 1.191 11.682 1.00 0.00 C ATOM 547 O THR A 719 60.880 1.772 12.766 1.00 0.00 O ATOM 548 CB THR A 719 60.623 2.677 9.685 1.00 0.00 C ATOM 549 OG1 THR A 719 60.038 1.950 8.615 1.00 0.00 O ATOM 550 CG2 THR A 719 61.399 3.870 9.123 1.00 0.00 C ATOM 0 H THR A 719 61.534 0.570 8.742 1.00 0.00 H new ATOM 0 HA THR A 719 62.432 2.342 10.813 1.00 0.00 H new ATOM 0 HB THR A 719 59.840 3.035 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 719 59.470 1.238 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.720 4.517 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.846 4.432 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.185 3.512 8.458 1.00 0.00 H new ATOM 558 N LEU A 720 60.160 0.069 11.481 1.00 0.00 N ATOM 559 CA LEU A 720 59.442 -0.583 12.572 1.00 0.00 C ATOM 560 C LEU A 720 60.410 -1.029 13.662 1.00 0.00 C ATOM 561 O LEU A 720 60.108 -0.922 14.851 1.00 0.00 O ATOM 562 CB LEU A 720 58.675 -1.798 12.039 1.00 0.00 C ATOM 563 CG LEU A 720 57.612 -2.226 13.060 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.259 -1.618 12.679 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.500 -3.753 13.074 1.00 0.00 C ATOM 0 H LEU A 720 60.085 -0.404 10.580 1.00 0.00 H new ATOM 0 HA LEU A 720 58.740 0.133 12.998 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.202 -1.553 11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.364 -2.621 11.850 1.00 0.00 H new ATOM 0 HG LEU A 720 57.901 -1.874 14.050 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.506 -1.923 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.338 -0.531 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 720 55.970 -1.967 11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.745 -4.056 13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.214 -4.106 12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.462 -4.186 13.349 1.00 0.00 H new ATOM 577 N VAL A 721 61.627 -1.382 13.254 1.00 0.00 N ATOM 578 CA VAL A 721 62.657 -1.792 14.206 1.00 0.00 C ATOM 579 C VAL A 721 63.083 -0.611 15.076 1.00 0.00 C ATOM 580 O VAL A 721 63.439 -0.789 16.243 1.00 0.00 O ATOM 581 CB VAL A 721 63.877 -2.347 13.462 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.896 -2.876 14.477 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.445 -3.486 12.530 1.00 0.00 C ATOM 0 H VAL A 721 61.923 -1.393 12.278 1.00 0.00 H new ATOM 0 HA VAL A 721 62.241 -2.571 14.845 1.00 0.00 H new ATOM 0 HB VAL A 721 64.329 -1.551 12.870 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.764 -3.271 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.209 -2.065 15.135 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.441 -3.669 15.070 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.316 -3.876 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.988 -4.283 13.117 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.723 -3.109 11.806 1.00 0.00 H new ATOM 593 N MET A 722 62.947 0.598 14.538 1.00 0.00 N ATOM 594 CA MET A 722 63.286 1.801 15.291 1.00 0.00 C ATOM 595 C MET A 722 62.150 2.177 16.238 1.00 0.00 C ATOM 596 O MET A 722 62.391 2.603 17.368 1.00 0.00 O ATOM 597 CB MET A 722 63.560 2.962 14.330 1.00 0.00 C ATOM 598 CG MET A 722 64.935 2.779 13.677 1.00 0.00 C ATOM 599 SD MET A 722 66.203 3.539 14.722 1.00 0.00 S ATOM 600 CE MET A 722 67.426 2.208 14.612 1.00 0.00 C ATOM 0 H MET A 722 62.607 0.770 13.592 1.00 0.00 H new ATOM 0 HA MET A 722 64.182 1.599 15.878 1.00 0.00 H new ATOM 0 HB2 MET A 722 62.786 3.003 13.564 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.526 3.909 14.869 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.147 1.718 13.542 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.943 3.235 12.687 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.307 2.474 15.196 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.996 1.286 15.003 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.712 2.062 13.570 1.00 0.00 H new ATOM 610 N LEU A 723 60.923 1.872 15.825 1.00 0.00 N ATOM 611 CA LEU A 723 59.759 2.098 16.675 1.00 0.00 C ATOM 612 C LEU A 723 59.627 0.978 17.708 1.00 0.00 C ATOM 613 O LEU A 723 60.148 1.100 18.818 1.00 0.00 O ATOM 614 CB LEU A 723 58.491 2.167 15.816 1.00 0.00 C ATOM 615 CG LEU A 723 58.609 3.306 14.793 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.432 3.234 13.819 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.593 4.660 15.511 1.00 0.00 C ATOM 0 H LEU A 723 60.710 1.470 14.912 1.00 0.00 H new ATOM 0 HA LEU A 723 59.889 3.044 17.200 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.339 1.219 15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.620 2.327 16.451 1.00 0.00 H new ATOM 0 HG LEU A 723 59.547 3.202 14.248 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.512 4.041 13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.447 2.275 13.301 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.497 3.334 14.370 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.677 5.462 14.777 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.659 4.769 16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.432 4.714 16.205 1.00 0.00 H new ATOM 629 N LYS A 724 59.227 -0.202 17.234 1.00 0.00 N ATOM 630 CA LYS A 724 59.036 -1.357 18.113 1.00 0.00 C ATOM 631 C LYS A 724 60.263 -2.269 18.084 1.00 0.00 C ATOM 632 O LYS A 724 61.279 -1.931 17.474 1.00 0.00 O ATOM 633 CB LYS A 724 57.798 -2.146 17.670 1.00 0.00 C ATOM 634 CG LYS A 724 56.550 -1.258 17.779 1.00 0.00 C ATOM 635 CD LYS A 724 55.941 -1.386 19.180 1.00 0.00 C ATOM 636 CE LYS A 724 55.099 -0.144 19.495 1.00 0.00 C ATOM 637 NZ LYS A 724 54.125 0.103 18.391 1.00 0.00 N1+ ATOM 0 H LYS A 724 59.029 -0.384 16.250 1.00 0.00 H new ATOM 0 HA LYS A 724 58.895 -0.996 19.132 1.00 0.00 H new ATOM 0 HB2 LYS A 724 57.923 -2.490 16.643 1.00 0.00 H new ATOM 0 HB3 LYS A 724 57.680 -3.034 18.291 1.00 0.00 H new ATOM 0 HG2 LYS A 724 56.814 -0.219 17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 724 55.818 -1.550 17.026 1.00 0.00 H new ATOM 0 HD2 LYS A 724 55.321 -2.281 19.237 1.00 0.00 H new ATOM 0 HD3 LYS A 724 56.732 -1.498 19.922 1.00 0.00 H new ATOM 0 HE2 LYS A 724 54.567 -0.284 20.436 1.00 0.00 H new ATOM 0 HE3 LYS A 724 55.747 0.723 19.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 53.370 0.734 18.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 54.615 0.548 17.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 53.710 -0.800 18.085 1.00 0.00 H new ATOM 651 N LYS A 725 60.221 -3.325 18.902 1.00 0.00 N ATOM 652 CA LYS A 725 61.320 -4.291 18.978 1.00 0.00 C ATOM 653 C LYS A 725 62.479 -3.724 19.790 1.00 0.00 C ATOM 654 O LYS A 725 62.753 -2.524 19.748 1.00 0.00 O ATOM 655 CB LYS A 725 61.813 -4.663 17.573 1.00 0.00 C ATOM 656 CG LYS A 725 62.060 -6.174 17.495 1.00 0.00 C ATOM 657 CD LYS A 725 60.725 -6.911 17.330 1.00 0.00 C ATOM 658 CE LYS A 725 60.541 -7.324 15.867 1.00 0.00 C ATOM 659 NZ LYS A 725 61.445 -8.467 15.558 1.00 0.00 N1+ ATOM 0 H LYS A 725 59.437 -3.532 19.521 1.00 0.00 H new ATOM 0 HA LYS A 725 60.944 -5.187 19.472 1.00 0.00 H new ATOM 0 HB2 LYS A 725 61.075 -4.367 16.828 1.00 0.00 H new ATOM 0 HB3 LYS A 725 62.731 -4.122 17.344 1.00 0.00 H new ATOM 0 HG2 LYS A 725 62.718 -6.401 16.656 1.00 0.00 H new ATOM 0 HG3 LYS A 725 62.566 -6.516 18.398 1.00 0.00 H new ATOM 0 HD2 LYS A 725 60.703 -7.792 17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 725 59.902 -6.268 17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 725 59.504 -7.607 15.685 1.00 0.00 H new ATOM 0 HE3 LYS A 725 60.762 -6.483 15.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 61.091 -8.973 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 62.403 -8.110 15.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 61.473 -9.117 16.369 1.00 0.00 H new ATOM 673 N LYS A 726 63.153 -4.598 20.538 1.00 0.00 N ATOM 674 CA LYS A 726 64.268 -4.178 21.381 1.00 0.00 C ATOM 675 C LYS A 726 65.569 -4.158 20.583 1.00 0.00 C ATOM 676 O LYS A 726 65.626 -4.657 19.458 1.00 0.00 O ATOM 677 CB LYS A 726 64.414 -5.133 22.571 1.00 0.00 C ATOM 678 CG LYS A 726 63.493 -4.681 23.708 1.00 0.00 C ATOM 679 CD LYS A 726 63.594 -5.666 24.878 1.00 0.00 C ATOM 680 CE LYS A 726 63.017 -5.021 26.143 1.00 0.00 C ATOM 681 NZ LYS A 726 62.342 -6.060 26.972 1.00 0.00 N1+ ATOM 0 H LYS A 726 62.946 -5.596 20.576 1.00 0.00 H new ATOM 0 HA LYS A 726 64.062 -3.171 21.744 1.00 0.00 H new ATOM 0 HB2 LYS A 726 64.162 -6.149 22.268 1.00 0.00 H new ATOM 0 HB3 LYS A 726 65.449 -5.149 22.912 1.00 0.00 H new ATOM 0 HG2 LYS A 726 63.771 -3.680 24.038 1.00 0.00 H new ATOM 0 HG3 LYS A 726 62.463 -4.626 23.355 1.00 0.00 H new ATOM 0 HD2 LYS A 726 63.051 -6.582 24.644 1.00 0.00 H new ATOM 0 HD3 LYS A 726 64.635 -5.946 25.042 1.00 0.00 H new ATOM 0 HE2 LYS A 726 63.813 -4.545 26.716 1.00 0.00 H new ATOM 0 HE3 LYS A 726 62.307 -4.239 25.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 61.951 -5.620 27.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 61.572 -6.495 26.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 63.031 -6.791 27.241 1.00 0.00 H new ATOM 695 N GLN A 727 66.596 -3.535 21.156 1.00 0.00 N ATOM 696 CA GLN A 727 67.892 -3.432 20.493 1.00 0.00 C ATOM 697 C GLN A 727 68.620 -4.771 20.530 1.00 0.00 C ATOM 698 O GLN A 727 68.908 -5.356 19.485 1.00 0.00 O ATOM 699 CB GLN A 727 68.745 -2.367 21.187 1.00 0.00 C ATOM 700 CG GLN A 727 68.047 -1.004 21.096 1.00 0.00 C ATOM 701 CD GLN A 727 68.030 -0.332 22.465 1.00 0.00 C ATOM 702 OE1 GLN A 727 69.063 0.146 22.935 1.00 0.00 O ATOM 703 NE2 GLN A 727 66.911 -0.257 23.132 1.00 0.00 N ATOM 0 H GLN A 727 66.556 -3.095 22.075 1.00 0.00 H new ATOM 0 HA GLN A 727 67.728 -3.149 19.453 1.00 0.00 H new ATOM 0 HB2 GLN A 727 68.902 -2.637 22.231 1.00 0.00 H new ATOM 0 HB3 GLN A 727 69.729 -2.314 20.720 1.00 0.00 H new ATOM 0 HG2 GLN A 727 68.564 -0.369 20.377 1.00 0.00 H new ATOM 0 HG3 GLN A 727 67.027 -1.132 20.732 1.00 0.00 H new ATOM 0 HE21 GLN A 727 66.057 -0.654 22.741 1.00 0.00 H new ATOM 0 HE22 GLN A 727 66.891 0.198 24.045 1.00 0.00 H new ATOM 712 N TYR A 728 68.733 -5.334 21.731 1.00 0.00 N ATOM 713 CA TYR A 728 69.570 -6.510 21.942 1.00 0.00 C ATOM 714 C TYR A 728 68.749 -7.786 21.774 1.00 0.00 C ATOM 715 O TYR A 728 68.932 -8.530 20.810 1.00 0.00 O ATOM 716 CB TYR A 728 70.176 -6.474 23.350 1.00 0.00 C ATOM 717 CG TYR A 728 70.899 -5.163 23.557 1.00 0.00 C ATOM 718 CD1 TYR A 728 72.251 -5.044 23.213 1.00 0.00 C ATOM 719 CD2 TYR A 728 70.244 -4.093 24.180 1.00 0.00 C ATOM 720 CE1 TYR A 728 72.918 -3.827 23.406 1.00 0.00 C ATOM 721 CE2 TYR A 728 70.873 -2.846 24.265 1.00 0.00 C ATOM 722 CZ TYR A 728 72.220 -2.719 23.903 1.00 0.00 C ATOM 723 OH TYR A 728 72.884 -1.528 24.125 1.00 0.00 O ATOM 0 H TYR A 728 68.258 -4.996 22.568 1.00 0.00 H new ATOM 0 HA TYR A 728 70.370 -6.503 21.201 1.00 0.00 H new ATOM 0 HB2 TYR A 728 69.391 -6.590 24.098 1.00 0.00 H new ATOM 0 HB3 TYR A 728 70.867 -7.307 23.481 1.00 0.00 H new ATOM 0 HD1 TYR A 728 72.780 -5.890 22.799 1.00 0.00 H new ATOM 0 HD2 TYR A 728 69.256 -4.230 24.594 1.00 0.00 H new ATOM 0 HE1 TYR A 728 73.969 -3.743 23.172 1.00 0.00 H new ATOM 0 HE2 TYR A 728 70.321 -1.984 24.609 1.00 0.00 H new ATOM 0 HH TYR A 728 72.254 -0.861 24.469 1.00 0.00 H new TER 733 TYR A 728