USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=10 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 724 LYS NZ :NH3+ -106:sc= -0.115 (180deg=-0.00469) USER MOD Set 1.2: A 726 LYS NZ :NH3+ -151:sc= -0.0214 (180deg=0) USER MOD Set 2.1: A 697 SER OG : rot 180:sc= 0.00975 USER MOD Set 2.2: A 698 ASN : amide:sc= -0.122 X(o=-0.11,f=-0.0042) USER MOD Single : A 684 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.014) USER MOD Single : A 685 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.9!) USER MOD Single : A 686 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 687 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.011) USER MOD Single : A 699 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.052) USER MOD Single : A 706 MET CE :methyl -125:sc= 0 (180deg=-0.0262) USER MOD Single : A 714 THR OG1 : rot 26:sc= 0.528 USER MOD Single : A 719 THR OG1 : rot 23:sc= 0.689 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ -151:sc= -0.0938 (180deg=-0.711) USER MOD Single : A 727 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 53.892 9.241 -14.959 1.00 0.00 N ATOM 2 CA VAL A 683 53.652 9.773 -16.295 1.00 0.00 C ATOM 3 C VAL A 683 54.960 10.252 -16.921 1.00 0.00 C ATOM 4 O VAL A 683 55.308 9.845 -18.031 1.00 0.00 O ATOM 5 CB VAL A 683 52.656 10.937 -16.225 1.00 0.00 C ATOM 6 CG1 VAL A 683 52.348 11.438 -17.641 1.00 0.00 C ATOM 7 CG2 VAL A 683 51.360 10.463 -15.559 1.00 0.00 C ATOM 0 HA VAL A 683 53.235 8.979 -16.914 1.00 0.00 H new ATOM 0 HB VAL A 683 53.090 11.748 -15.640 1.00 0.00 H new ATOM 0 HG11 VAL A 683 51.640 12.265 -17.588 1.00 0.00 H new ATOM 0 HG12 VAL A 683 53.269 11.778 -18.115 1.00 0.00 H new ATOM 0 HG13 VAL A 683 51.916 10.627 -18.228 1.00 0.00 H new ATOM 0 HG21 VAL A 683 50.653 11.291 -15.510 1.00 0.00 H new ATOM 0 HG22 VAL A 683 50.927 9.650 -16.142 1.00 0.00 H new ATOM 0 HG23 VAL A 683 51.577 10.110 -14.551 1.00 0.00 H new ATOM 16 N HIS A 684 55.607 11.210 -16.263 1.00 0.00 N ATOM 17 CA HIS A 684 56.847 11.781 -16.782 1.00 0.00 C ATOM 18 C HIS A 684 57.684 12.365 -15.648 1.00 0.00 C ATOM 19 O HIS A 684 58.600 13.155 -15.886 1.00 0.00 O ATOM 20 CB HIS A 684 56.529 12.879 -17.806 1.00 0.00 C ATOM 21 CG HIS A 684 57.411 12.714 -19.015 1.00 0.00 C ATOM 22 ND1 HIS A 684 58.237 13.730 -19.470 1.00 0.00 N ATOM 23 CD2 HIS A 684 57.570 11.676 -19.901 1.00 0.00 C ATOM 24 CE1 HIS A 684 58.831 13.294 -20.596 1.00 0.00 C ATOM 25 NE2 HIS A 684 58.500 12.031 -20.874 1.00 0.00 N ATOM 0 H HIS A 684 55.296 11.605 -15.375 1.00 0.00 H new ATOM 0 HA HIS A 684 57.416 10.988 -17.266 1.00 0.00 H new ATOM 0 HB2 HIS A 684 55.480 12.825 -18.098 1.00 0.00 H new ATOM 0 HB3 HIS A 684 56.685 13.862 -17.361 1.00 0.00 H new ATOM 0 HD2 HIS A 684 57.053 10.729 -19.850 1.00 0.00 H new ATOM 0 HE1 HIS A 684 59.495 13.893 -21.201 1.00 0.00 H new ATOM 0 HE2 HIS A 684 58.853 11.451 -21.635 1.00 0.00 H new ATOM 33 N HIS A 685 57.487 11.830 -14.446 1.00 0.00 N ATOM 34 CA HIS A 685 58.272 12.255 -13.289 1.00 0.00 C ATOM 35 C HIS A 685 59.547 11.425 -13.178 1.00 0.00 C ATOM 36 O HIS A 685 59.573 10.260 -13.579 1.00 0.00 O ATOM 37 CB HIS A 685 57.453 12.110 -11.997 1.00 0.00 C ATOM 38 CG HIS A 685 56.001 11.886 -12.327 1.00 0.00 C ATOM 39 ND1 HIS A 685 55.214 12.881 -12.886 1.00 0.00 N ATOM 40 CD2 HIS A 685 55.248 10.740 -12.397 1.00 0.00 C ATOM 41 CE1 HIS A 685 53.985 12.366 -13.067 1.00 0.00 C ATOM 42 NE2 HIS A 685 53.956 11.057 -12.808 1.00 0.00 N ATOM 0 H HIS A 685 56.796 11.107 -14.248 1.00 0.00 H new ATOM 0 HA HIS A 685 58.536 13.303 -13.426 1.00 0.00 H new ATOM 0 HB2 HIS A 685 57.833 11.275 -11.408 1.00 0.00 H new ATOM 0 HB3 HIS A 685 57.561 13.006 -11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 685 55.603 9.746 -12.168 1.00 0.00 H new ATOM 0 HE1 HIS A 685 53.127 12.941 -13.383 1.00 0.00 H new ATOM 0 HE2 HIS A 685 53.160 10.425 -12.893 1.00 0.00 H new ATOM 50 N GLN A 686 60.539 11.975 -12.484 1.00 0.00 N ATOM 51 CA GLN A 686 61.775 11.245 -12.222 1.00 0.00 C ATOM 52 C GLN A 686 61.614 10.341 -11.004 1.00 0.00 C ATOM 53 O GLN A 686 61.697 9.117 -11.113 1.00 0.00 O ATOM 54 CB GLN A 686 62.921 12.232 -11.980 1.00 0.00 C ATOM 55 CG GLN A 686 63.336 12.873 -13.306 1.00 0.00 C ATOM 56 CD GLN A 686 64.184 11.898 -14.118 1.00 0.00 C ATOM 57 OE1 GLN A 686 65.349 11.669 -13.795 1.00 0.00 O ATOM 58 NE2 GLN A 686 63.658 11.289 -15.145 1.00 0.00 N ATOM 0 H GLN A 686 60.512 12.918 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 686 62.004 10.628 -13.091 1.00 0.00 H new ATOM 0 HB2 GLN A 686 62.608 13.002 -11.275 1.00 0.00 H new ATOM 0 HB3 GLN A 686 63.770 11.716 -11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 686 62.450 13.157 -13.874 1.00 0.00 H new ATOM 0 HG3 GLN A 686 63.900 13.786 -13.116 1.00 0.00 H new ATOM 0 HE21 GLN A 686 62.692 11.480 -15.411 1.00 0.00 H new ATOM 0 HE22 GLN A 686 64.213 10.622 -15.681 1.00 0.00 H new ATOM 67 N LYS A 687 61.416 10.957 -9.841 1.00 0.00 N ATOM 68 CA LYS A 687 61.247 10.206 -8.601 1.00 0.00 C ATOM 69 C LYS A 687 60.054 10.742 -7.812 1.00 0.00 C ATOM 70 O LYS A 687 59.024 11.073 -8.400 1.00 0.00 O ATOM 71 CB LYS A 687 62.522 10.305 -7.755 1.00 0.00 C ATOM 72 CG LYS A 687 63.731 9.887 -8.598 1.00 0.00 C ATOM 73 CD LYS A 687 64.964 9.753 -7.698 1.00 0.00 C ATOM 74 CE LYS A 687 66.154 9.265 -8.531 1.00 0.00 C ATOM 75 NZ LYS A 687 66.048 7.792 -8.734 1.00 0.00 N1+ ATOM 0 H LYS A 687 61.369 11.970 -9.732 1.00 0.00 H new ATOM 0 HA LYS A 687 61.060 9.161 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 687 62.653 11.325 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 687 62.439 9.664 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 687 63.528 8.940 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 687 63.916 10.626 -9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 687 65.198 10.713 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 687 64.762 9.052 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 687 66.171 9.775 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 687 67.089 9.507 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 67.001 7.381 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 65.544 7.366 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 65.525 7.599 -9.612 1.00 0.00 H new ATOM 89 N LEU A 688 60.112 10.586 -6.487 1.00 0.00 N ATOM 90 CA LEU A 688 59.052 11.080 -5.606 1.00 0.00 C ATOM 91 C LEU A 688 57.785 10.242 -5.758 1.00 0.00 C ATOM 92 O LEU A 688 56.880 10.320 -4.924 1.00 0.00 O ATOM 93 CB LEU A 688 58.734 12.549 -5.918 1.00 0.00 C ATOM 94 CG LEU A 688 60.027 13.378 -5.885 1.00 0.00 C ATOM 95 CD1 LEU A 688 60.235 14.058 -7.242 1.00 0.00 C ATOM 96 CD2 LEU A 688 59.923 14.443 -4.791 1.00 0.00 C ATOM 0 H LEU A 688 60.880 10.122 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 688 59.408 11.000 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 688 58.264 12.629 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 688 58.022 12.939 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 688 60.872 12.723 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 688 61.153 14.646 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 688 60.311 13.300 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 688 59.390 14.713 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 688 60.840 15.031 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 688 59.077 15.098 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 688 59.777 13.959 -3.825 1.00 0.00 H new ATOM 108 N VAL A 689 57.817 9.304 -6.701 1.00 0.00 N ATOM 109 CA VAL A 689 56.671 8.436 -6.950 1.00 0.00 C ATOM 110 C VAL A 689 56.608 7.319 -5.911 1.00 0.00 C ATOM 111 O VAL A 689 55.644 6.552 -5.871 1.00 0.00 O ATOM 112 CB VAL A 689 56.772 7.828 -8.355 1.00 0.00 C ATOM 113 CG1 VAL A 689 56.508 8.916 -9.405 1.00 0.00 C ATOM 114 CG2 VAL A 689 58.173 7.242 -8.564 1.00 0.00 C ATOM 0 H VAL A 689 58.621 9.126 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 689 55.762 9.034 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 689 56.031 7.036 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 689 56.580 8.484 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 689 55.509 9.328 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 689 57.247 9.710 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 689 58.242 6.811 -9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 689 58.917 8.031 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 689 58.358 6.467 -7.821 1.00 0.00 H new ATOM 124 N PHE A 690 57.572 7.322 -4.993 1.00 0.00 N ATOM 125 CA PHE A 690 57.617 6.322 -3.930 1.00 0.00 C ATOM 126 C PHE A 690 56.322 6.336 -3.126 1.00 0.00 C ATOM 127 O PHE A 690 55.599 5.339 -3.086 1.00 0.00 O ATOM 128 CB PHE A 690 58.801 6.607 -2.998 1.00 0.00 C ATOM 129 CG PHE A 690 59.693 5.389 -2.919 1.00 0.00 C ATOM 130 CD1 PHE A 690 60.728 5.219 -3.846 1.00 0.00 C ATOM 131 CD2 PHE A 690 59.466 4.417 -1.935 1.00 0.00 C ATOM 132 CE1 PHE A 690 61.546 4.085 -3.781 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.306 3.301 -1.849 1.00 0.00 C ATOM 134 CZ PHE A 690 61.343 3.133 -2.774 1.00 0.00 C ATOM 0 H PHE A 690 58.330 8.004 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 690 57.738 5.339 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 690 59.368 7.462 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 690 58.439 6.869 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 690 60.895 5.963 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 690 58.644 4.529 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 690 62.333 3.944 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 690 60.154 2.570 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 690 61.987 2.268 -2.711 1.00 0.00 H new ATOM 144 N PHE A 691 55.947 7.522 -2.654 1.00 0.00 N ATOM 145 CA PHE A 691 54.715 7.673 -1.886 1.00 0.00 C ATOM 146 C PHE A 691 53.508 7.724 -2.817 1.00 0.00 C ATOM 147 O PHE A 691 52.374 7.501 -2.388 1.00 0.00 O ATOM 148 CB PHE A 691 54.766 8.956 -1.050 1.00 0.00 C ATOM 149 CG PHE A 691 56.150 9.136 -0.471 1.00 0.00 C ATOM 150 CD1 PHE A 691 56.584 8.313 0.576 1.00 0.00 C ATOM 151 CD2 PHE A 691 57.033 10.057 -1.046 1.00 0.00 C ATOM 152 CE1 PHE A 691 57.876 8.462 1.093 1.00 0.00 C ATOM 153 CE2 PHE A 691 58.307 10.240 -0.497 1.00 0.00 C ATOM 154 CZ PHE A 691 58.735 9.434 0.564 1.00 0.00 C ATOM 0 H PHE A 691 56.473 8.385 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 691 54.619 6.813 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 691 54.507 9.815 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 691 54.030 8.907 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 691 55.922 7.564 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 691 56.731 10.626 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 691 58.211 7.827 1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 691 58.960 11.004 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 691 59.726 9.561 0.974 1.00 0.00 H new ATOM 164 N ALA A 692 53.743 8.167 -4.049 1.00 0.00 N ATOM 165 CA ALA A 692 52.676 8.248 -5.042 1.00 0.00 C ATOM 166 C ALA A 692 52.236 6.852 -5.480 1.00 0.00 C ATOM 167 O ALA A 692 51.294 6.709 -6.258 1.00 0.00 O ATOM 168 CB ALA A 692 53.156 9.035 -6.262 1.00 0.00 C ATOM 0 H ALA A 692 54.657 8.474 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 692 51.826 8.758 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 692 52.354 9.091 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 692 53.439 10.042 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.018 8.534 -6.702 1.00 0.00 H new ATOM 174 N GLU A 693 52.987 5.836 -5.060 1.00 0.00 N ATOM 175 CA GLU A 693 52.583 4.453 -5.287 1.00 0.00 C ATOM 176 C GLU A 693 51.514 4.027 -4.283 1.00 0.00 C ATOM 177 O GLU A 693 50.727 3.119 -4.554 1.00 0.00 O ATOM 178 CB GLU A 693 53.799 3.528 -5.166 1.00 0.00 C ATOM 179 CG GLU A 693 53.691 2.406 -6.204 1.00 0.00 C ATOM 180 CD GLU A 693 54.756 1.343 -5.940 1.00 0.00 C ATOM 181 OE1 GLU A 693 54.639 0.647 -4.944 1.00 0.00 O ATOM 182 OE2 GLU A 693 55.615 1.173 -6.791 1.00 0.00 O1- ATOM 0 H GLU A 693 53.872 5.944 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 693 52.166 4.379 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 693 54.717 4.094 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 693 53.850 3.106 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 693 52.699 1.956 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 693 53.815 2.815 -7.207 1.00 0.00 H new ATOM 189 N ASP A 694 51.391 4.789 -3.198 1.00 0.00 N ATOM 190 CA ASP A 694 50.487 4.419 -2.113 1.00 0.00 C ATOM 191 C ASP A 694 49.037 4.703 -2.499 1.00 0.00 C ATOM 192 O ASP A 694 48.111 4.203 -1.859 1.00 0.00 O ATOM 193 CB ASP A 694 50.835 5.202 -0.843 1.00 0.00 C ATOM 194 CG ASP A 694 52.336 5.141 -0.567 1.00 0.00 C ATOM 195 OD1 ASP A 694 52.912 4.090 -0.798 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 52.814 6.029 0.119 1.00 0.00 O ATOM 0 H ASP A 694 51.902 5.659 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 694 50.603 3.352 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 694 50.522 6.240 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 694 50.287 4.792 0.005 1.00 0.00 H new ATOM 201 N VAL A 695 48.858 5.350 -3.649 1.00 0.00 N ATOM 202 CA VAL A 695 47.524 5.584 -4.194 1.00 0.00 C ATOM 203 C VAL A 695 46.853 4.271 -4.584 1.00 0.00 C ATOM 204 O VAL A 695 45.698 4.263 -5.010 1.00 0.00 O ATOM 205 CB VAL A 695 47.621 6.496 -5.422 1.00 0.00 C ATOM 206 CG1 VAL A 695 48.318 7.805 -5.034 1.00 0.00 C ATOM 207 CG2 VAL A 695 48.426 5.795 -6.527 1.00 0.00 C ATOM 0 H VAL A 695 49.618 5.720 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 695 46.919 6.064 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 695 46.618 6.712 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 695 48.387 8.453 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 695 47.744 8.306 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 695 49.320 7.588 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 695 48.492 6.447 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 695 49.429 5.574 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 695 47.929 4.866 -6.806 1.00 0.00 H new ATOM 217 N GLY A 696 47.641 3.198 -4.614 1.00 0.00 N ATOM 218 CA GLY A 696 47.125 1.885 -4.987 1.00 0.00 C ATOM 219 C GLY A 696 45.833 1.569 -4.236 1.00 0.00 C ATOM 220 O GLY A 696 45.768 1.721 -3.014 1.00 0.00 O ATOM 0 H GLY A 696 48.635 3.213 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 696 46.942 1.854 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.872 1.122 -4.769 1.00 0.00 H new ATOM 224 N SER A 697 44.766 1.327 -4.996 1.00 0.00 N ATOM 225 CA SER A 697 43.467 1.007 -4.407 1.00 0.00 C ATOM 226 C SER A 697 42.906 -0.274 -5.022 1.00 0.00 C ATOM 227 O SER A 697 43.656 -1.082 -5.570 1.00 0.00 O ATOM 228 CB SER A 697 42.494 2.169 -4.639 1.00 0.00 C ATOM 229 OG SER A 697 42.145 2.232 -6.015 1.00 0.00 O ATOM 0 H SER A 697 44.775 1.346 -6.016 1.00 0.00 H new ATOM 0 HA SER A 697 43.594 0.852 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 697 41.599 2.033 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.952 3.108 -4.326 1.00 0.00 H new ATOM 0 HG SER A 697 41.522 2.974 -6.161 1.00 0.00 H new ATOM 235 N ASN A 698 41.579 -0.417 -4.986 1.00 0.00 N ATOM 236 CA ASN A 698 40.920 -1.621 -5.496 1.00 0.00 C ATOM 237 C ASN A 698 41.429 -2.867 -4.771 1.00 0.00 C ATOM 238 O ASN A 698 42.553 -3.312 -5.003 1.00 0.00 O ATOM 239 CB ASN A 698 41.166 -1.765 -7.004 1.00 0.00 C ATOM 240 CG ASN A 698 40.116 -0.976 -7.783 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.434 -1.530 -8.644 1.00 0.00 O ATOM 242 ND2 ASN A 698 39.956 0.298 -7.540 1.00 0.00 N ATOM 0 H ASN A 698 40.941 0.285 -4.610 1.00 0.00 H new ATOM 0 HA ASN A 698 39.850 -1.523 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 698 42.164 -1.404 -7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.127 -2.817 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 698 39.265 0.834 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 698 40.522 0.756 -6.826 1.00 0.00 H new ATOM 249 N LYS A 699 40.526 -3.528 -4.050 1.00 0.00 N ATOM 250 CA LYS A 699 40.880 -4.732 -3.303 1.00 0.00 C ATOM 251 C LYS A 699 41.490 -5.785 -4.230 1.00 0.00 C ATOM 252 O LYS A 699 42.508 -6.394 -3.898 1.00 0.00 O ATOM 253 CB LYS A 699 39.631 -5.306 -2.622 1.00 0.00 C ATOM 254 CG LYS A 699 39.989 -5.839 -1.229 1.00 0.00 C ATOM 255 CD LYS A 699 40.999 -6.985 -1.352 1.00 0.00 C ATOM 256 CE LYS A 699 40.864 -7.920 -0.147 1.00 0.00 C ATOM 257 NZ LYS A 699 39.692 -8.818 -0.344 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.548 -3.251 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 699 41.618 -4.465 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.865 -4.535 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.212 -6.108 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.408 -5.038 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 699 39.090 -6.188 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 699 40.826 -7.538 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 699 42.012 -6.586 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 699 41.772 -8.511 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 699 40.740 -7.338 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 39.716 -9.580 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 38.814 -8.272 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 39.727 -9.230 -1.298 1.00 0.00 H new ATOM 271 N GLY A 700 40.994 -5.829 -5.465 1.00 0.00 N ATOM 272 CA GLY A 700 41.557 -6.718 -6.477 1.00 0.00 C ATOM 273 C GLY A 700 43.018 -6.377 -6.753 1.00 0.00 C ATOM 274 O GLY A 700 43.906 -7.196 -6.514 1.00 0.00 O ATOM 0 H GLY A 700 40.209 -5.263 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.478 -7.752 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 700 40.981 -6.637 -7.399 1.00 0.00 H new ATOM 278 N ALA A 701 43.271 -5.107 -7.059 1.00 0.00 N ATOM 279 CA ALA A 701 44.617 -4.664 -7.405 1.00 0.00 C ATOM 280 C ALA A 701 45.531 -4.716 -6.184 1.00 0.00 C ATOM 281 O ALA A 701 46.673 -5.160 -6.280 1.00 0.00 O ATOM 282 CB ALA A 701 44.573 -3.235 -7.951 1.00 0.00 C ATOM 0 H ALA A 701 42.565 -4.371 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 701 45.013 -5.333 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.582 -2.912 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.946 -3.205 -8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.160 -2.569 -7.194 1.00 0.00 H new ATOM 288 N ILE A 702 44.951 -4.462 -5.013 1.00 0.00 N ATOM 289 CA ILE A 702 45.713 -4.461 -3.766 1.00 0.00 C ATOM 290 C ILE A 702 46.443 -5.789 -3.580 1.00 0.00 C ATOM 291 O ILE A 702 47.641 -5.809 -3.292 1.00 0.00 O ATOM 292 CB ILE A 702 44.762 -4.212 -2.583 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.507 -2.704 -2.438 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.370 -4.765 -1.287 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.684 -2.037 -1.716 1.00 0.00 C ATOM 0 H ILE A 702 43.959 -4.255 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 702 46.456 -3.665 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 702 43.818 -4.723 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.372 -2.254 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.586 -2.535 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.687 -4.582 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.535 -5.837 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.320 -4.269 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 702 45.493 -0.968 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.799 -2.477 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.598 -2.191 -2.290 1.00 0.00 H new ATOM 307 N ILE A 703 45.770 -6.878 -3.946 1.00 0.00 N ATOM 308 CA ILE A 703 46.369 -8.206 -3.868 1.00 0.00 C ATOM 309 C ILE A 703 47.613 -8.288 -4.754 1.00 0.00 C ATOM 310 O ILE A 703 48.687 -8.668 -4.288 1.00 0.00 O ATOM 311 CB ILE A 703 45.344 -9.261 -4.307 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.261 -9.397 -3.229 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.039 -10.611 -4.508 1.00 0.00 C ATOM 314 CD1 ILE A 703 42.982 -9.964 -3.850 1.00 0.00 C ATOM 0 H ILE A 703 44.813 -6.866 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 703 46.666 -8.396 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 703 44.888 -8.951 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.610 -10.051 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.058 -8.425 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.306 -11.355 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.806 -10.514 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.500 -10.926 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.215 -10.059 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.629 -9.293 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.189 -10.944 -4.279 1.00 0.00 H new ATOM 326 N GLY A 704 47.503 -7.746 -5.965 1.00 0.00 N ATOM 327 CA GLY A 704 48.601 -7.807 -6.925 1.00 0.00 C ATOM 328 C GLY A 704 49.695 -6.802 -6.572 1.00 0.00 C ATOM 329 O GLY A 704 50.879 -7.140 -6.569 1.00 0.00 O ATOM 0 H GLY A 704 46.670 -7.263 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.019 -8.814 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.224 -7.602 -7.927 1.00 0.00 H new ATOM 333 N LEU A 705 49.276 -5.636 -6.086 1.00 0.00 N ATOM 334 CA LEU A 705 50.218 -4.597 -5.676 1.00 0.00 C ATOM 335 C LEU A 705 51.048 -5.053 -4.483 1.00 0.00 C ATOM 336 O LEU A 705 52.216 -4.684 -4.356 1.00 0.00 O ATOM 337 CB LEU A 705 49.450 -3.324 -5.310 1.00 0.00 C ATOM 338 CG LEU A 705 48.767 -2.767 -6.561 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.770 -1.680 -6.157 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.823 -2.170 -7.495 1.00 0.00 C ATOM 0 H LEU A 705 48.294 -5.387 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 705 50.893 -4.396 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.707 -3.542 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.131 -2.582 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 705 48.239 -3.570 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.283 -1.283 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.018 -2.105 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.297 -0.876 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.338 -1.773 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.351 -1.367 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.533 -2.945 -7.783 1.00 0.00 H new ATOM 352 N MET A 706 50.494 -5.981 -3.707 1.00 0.00 N ATOM 353 CA MET A 706 51.169 -6.476 -2.512 1.00 0.00 C ATOM 354 C MET A 706 52.458 -7.207 -2.883 1.00 0.00 C ATOM 355 O MET A 706 53.436 -7.177 -2.134 1.00 0.00 O ATOM 356 CB MET A 706 50.242 -7.427 -1.752 1.00 0.00 C ATOM 357 CG MET A 706 50.827 -7.723 -0.367 1.00 0.00 C ATOM 358 SD MET A 706 51.049 -9.509 -0.179 1.00 0.00 S ATOM 359 CE MET A 706 49.302 -9.935 0.029 1.00 0.00 C ATOM 0 H MET A 706 49.583 -6.404 -3.884 1.00 0.00 H new ATOM 0 HA MET A 706 51.420 -5.625 -1.879 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.252 -6.982 -1.652 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.119 -8.355 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.782 -7.212 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.162 -7.344 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.171 -10.492 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.707 -9.023 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.974 -10.547 -0.811 1.00 0.00 H new ATOM 369 N VAL A 707 52.477 -7.790 -4.079 1.00 0.00 N ATOM 370 CA VAL A 707 53.668 -8.480 -4.568 1.00 0.00 C ATOM 371 C VAL A 707 54.844 -7.509 -4.667 1.00 0.00 C ATOM 372 O VAL A 707 55.924 -7.778 -4.137 1.00 0.00 O ATOM 373 CB VAL A 707 53.389 -9.091 -5.945 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.660 -9.765 -6.475 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.267 -10.130 -5.831 1.00 0.00 C ATOM 0 H VAL A 707 51.687 -7.799 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 707 53.923 -9.273 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 707 53.083 -8.303 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.460 -10.199 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.455 -9.025 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.969 -10.551 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.071 -10.563 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.569 -10.918 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.362 -9.649 -5.459 1.00 0.00 H new ATOM 385 N GLY A 708 54.566 -6.312 -5.178 1.00 0.00 N ATOM 386 CA GLY A 708 55.593 -5.281 -5.294 1.00 0.00 C ATOM 387 C GLY A 708 55.829 -4.588 -3.955 1.00 0.00 C ATOM 388 O GLY A 708 56.775 -3.814 -3.808 1.00 0.00 O ATOM 0 H GLY A 708 53.645 -6.034 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.523 -5.728 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.292 -4.545 -6.040 1.00 0.00 H new ATOM 392 N GLY A 709 55.043 -4.971 -2.949 1.00 0.00 N ATOM 393 CA GLY A 709 55.151 -4.361 -1.627 1.00 0.00 C ATOM 394 C GLY A 709 56.222 -5.054 -0.789 1.00 0.00 C ATOM 395 O GLY A 709 56.223 -4.951 0.438 1.00 0.00 O ATOM 0 H GLY A 709 54.330 -5.696 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.393 -3.303 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.190 -4.420 -1.116 1.00 0.00 H new ATOM 399 N VAL A 710 57.182 -5.682 -1.466 1.00 0.00 N ATOM 400 CA VAL A 710 58.274 -6.367 -0.780 1.00 0.00 C ATOM 401 C VAL A 710 59.415 -5.395 -0.481 1.00 0.00 C ATOM 402 O VAL A 710 60.008 -5.436 0.598 1.00 0.00 O ATOM 403 CB VAL A 710 58.787 -7.528 -1.646 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.398 -6.981 -2.941 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.847 -8.323 -0.872 1.00 0.00 C ATOM 0 H VAL A 710 57.225 -5.730 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 710 57.899 -6.761 0.165 1.00 0.00 H new ATOM 0 HB VAL A 710 57.953 -8.184 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.760 -7.809 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.640 -6.427 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.229 -6.318 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.208 -9.145 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.680 -7.667 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.407 -8.722 0.042 1.00 0.00 H new ATOM 415 N VAL A 711 59.623 -4.440 -1.384 1.00 0.00 N ATOM 416 CA VAL A 711 60.698 -3.466 -1.223 1.00 0.00 C ATOM 417 C VAL A 711 60.314 -2.414 -0.187 1.00 0.00 C ATOM 418 O VAL A 711 61.131 -2.027 0.650 1.00 0.00 O ATOM 419 CB VAL A 711 60.993 -2.782 -2.564 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.240 -1.903 -2.428 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.232 -3.844 -3.642 1.00 0.00 C ATOM 0 H VAL A 711 59.065 -4.320 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 711 61.590 -3.991 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 711 60.142 -2.163 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.449 -1.418 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.069 -1.144 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.091 -2.521 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.441 -3.356 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.081 -4.466 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.344 -4.467 -3.742 1.00 0.00 H new ATOM 431 N ILE A 712 59.065 -1.960 -0.247 1.00 0.00 N ATOM 432 CA ILE A 712 58.561 -0.993 0.724 1.00 0.00 C ATOM 433 C ILE A 712 58.387 -1.648 2.094 1.00 0.00 C ATOM 434 O ILE A 712 58.553 -0.997 3.126 1.00 0.00 O ATOM 435 CB ILE A 712 57.221 -0.423 0.240 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.844 0.804 1.083 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.128 -1.491 0.370 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.072 2.077 0.264 1.00 0.00 C ATOM 0 H ILE A 712 58.386 -2.244 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 712 59.284 -0.183 0.819 1.00 0.00 H new ATOM 0 HB ILE A 712 57.314 -0.127 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 712 55.801 0.740 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.444 0.832 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.178 -1.083 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.392 -2.357 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.036 -1.793 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.804 2.948 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 712 58.122 2.142 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 712 56.453 2.049 -0.632 1.00 0.00 H new ATOM 450 N ALA A 713 58.177 -2.964 2.094 1.00 0.00 N ATOM 451 CA ALA A 713 58.007 -3.704 3.341 1.00 0.00 C ATOM 452 C ALA A 713 59.267 -3.607 4.194 1.00 0.00 C ATOM 453 O ALA A 713 59.236 -3.020 5.275 1.00 0.00 O ATOM 454 CB ALA A 713 57.699 -5.174 3.042 1.00 0.00 C ATOM 0 H ALA A 713 58.121 -3.535 1.251 1.00 0.00 H new ATOM 0 HA ALA A 713 57.174 -3.267 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.574 -5.717 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.781 -5.242 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.522 -5.610 2.476 1.00 0.00 H new ATOM 460 N THR A 714 60.406 -3.922 3.581 1.00 0.00 N ATOM 461 CA THR A 714 61.684 -3.879 4.286 1.00 0.00 C ATOM 462 C THR A 714 61.979 -2.467 4.782 1.00 0.00 C ATOM 463 O THR A 714 62.412 -2.284 5.919 1.00 0.00 O ATOM 464 CB THR A 714 62.811 -4.338 3.355 1.00 0.00 C ATOM 465 OG1 THR A 714 62.578 -3.841 2.045 1.00 0.00 O ATOM 466 CG2 THR A 714 62.856 -5.868 3.320 1.00 0.00 C ATOM 0 H THR A 714 60.470 -4.208 2.604 1.00 0.00 H new ATOM 0 HA THR A 714 61.624 -4.548 5.144 1.00 0.00 H new ATOM 0 HB THR A 714 63.763 -3.955 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.031 -3.029 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.658 -6.193 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.038 -6.250 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.904 -6.252 2.953 1.00 0.00 H new ATOM 474 N VAL A 715 61.544 -1.477 4.008 1.00 0.00 N ATOM 475 CA VAL A 715 61.766 -0.081 4.368 1.00 0.00 C ATOM 476 C VAL A 715 60.949 0.287 5.604 1.00 0.00 C ATOM 477 O VAL A 715 61.506 0.720 6.615 1.00 0.00 O ATOM 478 CB VAL A 715 61.370 0.827 3.196 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.594 2.294 3.581 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.223 0.484 1.968 1.00 0.00 C ATOM 0 H VAL A 715 61.039 -1.614 3.133 1.00 0.00 H new ATOM 0 HA VAL A 715 62.823 0.058 4.593 1.00 0.00 H new ATOM 0 HB VAL A 715 60.317 0.672 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.312 2.936 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.984 2.539 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.646 2.451 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.940 1.130 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.277 0.635 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.059 -0.557 1.690 1.00 0.00 H new ATOM 490 N ILE A 716 59.678 -0.106 5.595 1.00 0.00 N ATOM 491 CA ILE A 716 58.782 0.189 6.709 1.00 0.00 C ATOM 492 C ILE A 716 59.110 -0.697 7.910 1.00 0.00 C ATOM 493 O ILE A 716 58.920 -0.295 9.059 1.00 0.00 O ATOM 494 CB ILE A 716 57.327 -0.037 6.279 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.935 1.012 5.230 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.402 0.086 7.496 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.654 0.572 4.514 1.00 0.00 C ATOM 0 H ILE A 716 59.247 -0.627 4.832 1.00 0.00 H new ATOM 0 HA ILE A 716 58.917 1.231 6.998 1.00 0.00 H new ATOM 0 HB ILE A 716 57.229 -1.035 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.782 1.979 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.742 1.138 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.370 -0.075 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.678 -0.661 8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.500 1.082 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.378 1.319 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.823 -0.386 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.848 0.469 5.241 1.00 0.00 H new ATOM 509 N VAL A 717 59.590 -1.907 7.634 1.00 0.00 N ATOM 510 CA VAL A 717 59.910 -2.856 8.697 1.00 0.00 C ATOM 511 C VAL A 717 61.196 -2.445 9.407 1.00 0.00 C ATOM 512 O VAL A 717 61.227 -2.341 10.634 1.00 0.00 O ATOM 513 CB VAL A 717 60.066 -4.264 8.108 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.634 -5.211 9.173 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.700 -4.781 7.644 1.00 0.00 C ATOM 0 H VAL A 717 59.765 -2.252 6.690 1.00 0.00 H new ATOM 0 HA VAL A 717 59.096 -2.858 9.422 1.00 0.00 H new ATOM 0 HB VAL A 717 60.748 -4.224 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.743 -6.210 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.608 -4.847 9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.955 -5.250 10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.812 -5.781 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.017 -4.817 8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.297 -4.113 6.883 1.00 0.00 H new ATOM 525 N ILE A 718 62.189 -2.036 8.621 1.00 0.00 N ATOM 526 CA ILE A 718 63.470 -1.608 9.174 1.00 0.00 C ATOM 527 C ILE A 718 63.284 -0.388 10.075 1.00 0.00 C ATOM 528 O ILE A 718 63.817 -0.344 11.185 1.00 0.00 O ATOM 529 CB ILE A 718 64.444 -1.274 8.035 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.990 -2.575 7.433 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.607 -0.432 8.571 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.621 -2.289 6.067 1.00 0.00 C ATOM 0 H ILE A 718 62.131 -1.992 7.604 1.00 0.00 H new ATOM 0 HA ILE A 718 63.881 -2.422 9.772 1.00 0.00 H new ATOM 0 HB ILE A 718 63.917 -0.707 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.731 -3.013 8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.186 -3.303 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.293 -0.199 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.220 0.494 8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.136 -0.991 9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.007 -3.216 5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.868 -1.871 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.437 -1.576 6.185 1.00 0.00 H new ATOM 544 N THR A 719 62.383 0.503 9.671 1.00 0.00 N ATOM 545 CA THR A 719 62.106 1.706 10.451 1.00 0.00 C ATOM 546 C THR A 719 61.332 1.357 11.720 1.00 0.00 C ATOM 547 O THR A 719 61.541 1.968 12.768 1.00 0.00 O ATOM 548 CB THR A 719 61.294 2.701 9.615 1.00 0.00 C ATOM 549 OG1 THR A 719 60.255 2.013 8.934 1.00 0.00 O ATOM 550 CG2 THR A 719 62.210 3.380 8.593 1.00 0.00 C ATOM 0 H THR A 719 61.836 0.416 8.815 1.00 0.00 H new ATOM 0 HA THR A 719 63.057 2.159 10.730 1.00 0.00 H new ATOM 0 HB THR A 719 60.861 3.455 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.055 1.176 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.631 4.087 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 719 63.007 3.911 9.114 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.645 2.626 7.937 1.00 0.00 H new ATOM 558 N LEU A 720 60.522 0.304 11.645 1.00 0.00 N ATOM 559 CA LEU A 720 59.766 -0.152 12.808 1.00 0.00 C ATOM 560 C LEU A 720 60.711 -0.652 13.897 1.00 0.00 C ATOM 561 O LEU A 720 60.511 -0.368 15.079 1.00 0.00 O ATOM 562 CB LEU A 720 58.807 -1.279 12.404 1.00 0.00 C ATOM 563 CG LEU A 720 57.366 -0.888 12.753 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.406 -1.966 12.239 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.215 -0.753 14.275 1.00 0.00 C ATOM 0 H LEU A 720 60.373 -0.245 10.799 1.00 0.00 H new ATOM 0 HA LEU A 720 59.192 0.689 13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.891 -1.474 11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.078 -2.201 12.919 1.00 0.00 H new ATOM 0 HG LEU A 720 57.130 0.067 12.283 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.381 -1.689 12.487 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.506 -2.057 11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.647 -2.921 12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.189 -0.475 14.516 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.454 -1.704 14.750 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.895 0.016 14.641 1.00 0.00 H new ATOM 577 N VAL A 721 61.802 -1.296 13.480 1.00 0.00 N ATOM 578 CA VAL A 721 62.795 -1.800 14.425 1.00 0.00 C ATOM 579 C VAL A 721 63.387 -0.653 15.242 1.00 0.00 C ATOM 580 O VAL A 721 63.525 -0.762 16.461 1.00 0.00 O ATOM 581 CB VAL A 721 63.919 -2.528 13.672 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.889 -3.157 14.680 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.320 -3.626 12.785 1.00 0.00 C ATOM 0 H VAL A 721 62.018 -1.479 12.500 1.00 0.00 H new ATOM 0 HA VAL A 721 62.302 -2.498 15.101 1.00 0.00 H new ATOM 0 HB VAL A 721 64.456 -1.813 13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.686 -3.673 14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.320 -2.376 15.307 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.352 -3.869 15.306 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.120 -4.140 12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.779 -4.341 13.406 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.634 -3.179 12.065 1.00 0.00 H new ATOM 593 N MET A 722 63.512 0.509 14.604 1.00 0.00 N ATOM 594 CA MET A 722 64.083 1.678 15.266 1.00 0.00 C ATOM 595 C MET A 722 63.102 2.252 16.282 1.00 0.00 C ATOM 596 O MET A 722 63.493 2.621 17.389 1.00 0.00 O ATOM 597 CB MET A 722 64.430 2.747 14.226 1.00 0.00 C ATOM 598 CG MET A 722 65.516 2.215 13.288 1.00 0.00 C ATOM 599 SD MET A 722 67.131 2.352 14.096 1.00 0.00 S ATOM 600 CE MET A 722 68.136 1.759 12.712 1.00 0.00 C ATOM 0 H MET A 722 63.228 0.665 13.637 1.00 0.00 H new ATOM 0 HA MET A 722 64.989 1.371 15.789 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.541 3.016 13.655 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.776 3.654 14.723 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.313 1.175 13.031 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.515 2.779 12.356 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.188 1.762 12.998 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.834 0.745 12.451 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.992 2.413 11.852 1.00 0.00 H new ATOM 610 N LEU A 723 61.815 2.134 15.971 1.00 0.00 N ATOM 611 CA LEU A 723 60.770 2.567 16.894 1.00 0.00 C ATOM 612 C LEU A 723 60.603 1.565 18.028 1.00 0.00 C ATOM 613 O LEU A 723 60.290 1.948 19.156 1.00 0.00 O ATOM 614 CB LEU A 723 59.444 2.716 16.145 1.00 0.00 C ATOM 615 CG LEU A 723 59.586 3.790 15.064 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.309 3.836 14.222 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.813 5.154 15.725 1.00 0.00 C ATOM 0 H LEU A 723 61.471 1.745 15.093 1.00 0.00 H new ATOM 0 HA LEU A 723 61.062 3.528 17.317 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.161 1.765 15.693 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.650 2.988 16.840 1.00 0.00 H new ATOM 0 HG LEU A 723 60.435 3.552 14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.409 4.601 13.452 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.148 2.866 13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.460 4.074 14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.914 5.919 14.955 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.964 5.394 16.365 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.722 5.121 16.325 1.00 0.00 H new ATOM 629 N LYS A 724 60.875 0.293 17.729 1.00 0.00 N ATOM 630 CA LYS A 724 60.708 -0.790 18.702 1.00 0.00 C ATOM 631 C LYS A 724 59.507 -0.541 19.617 1.00 0.00 C ATOM 632 O LYS A 724 59.458 -1.060 20.734 1.00 0.00 O ATOM 633 CB LYS A 724 61.984 -0.948 19.539 1.00 0.00 C ATOM 634 CG LYS A 724 62.316 0.369 20.247 1.00 0.00 C ATOM 635 CD LYS A 724 63.458 0.138 21.240 1.00 0.00 C ATOM 636 CE LYS A 724 64.120 1.475 21.589 1.00 0.00 C ATOM 637 NZ LYS A 724 64.404 1.520 23.052 1.00 0.00 N1+ ATOM 0 H LYS A 724 61.213 -0.014 16.817 1.00 0.00 H new ATOM 0 HA LYS A 724 60.523 -1.711 18.149 1.00 0.00 H new ATOM 0 HB2 LYS A 724 61.850 -1.741 20.274 1.00 0.00 H new ATOM 0 HB3 LYS A 724 62.814 -1.245 18.898 1.00 0.00 H new ATOM 0 HG2 LYS A 724 62.602 1.126 19.516 1.00 0.00 H new ATOM 0 HG3 LYS A 724 61.436 0.746 20.769 1.00 0.00 H new ATOM 0 HD2 LYS A 724 63.076 -0.336 22.144 1.00 0.00 H new ATOM 0 HD3 LYS A 724 64.194 -0.542 20.810 1.00 0.00 H new ATOM 0 HE2 LYS A 724 65.045 1.594 21.024 1.00 0.00 H new ATOM 0 HE3 LYS A 724 63.467 2.301 21.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 63.727 2.158 23.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 64.312 0.565 23.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 65.371 1.869 23.207 1.00 0.00 H new ATOM 651 N LYS A 725 58.446 0.022 19.036 1.00 0.00 N ATOM 652 CA LYS A 725 57.237 0.352 19.792 1.00 0.00 C ATOM 653 C LYS A 725 57.586 1.012 21.128 1.00 0.00 C ATOM 654 O LYS A 725 57.859 2.211 21.179 1.00 0.00 O ATOM 655 CB LYS A 725 56.412 -0.917 20.040 1.00 0.00 C ATOM 656 CG LYS A 725 55.731 -1.357 18.738 1.00 0.00 C ATOM 657 CD LYS A 725 54.356 -0.690 18.618 1.00 0.00 C ATOM 658 CE LYS A 725 53.303 -1.534 19.345 1.00 0.00 C ATOM 659 NZ LYS A 725 53.103 -2.819 18.617 1.00 0.00 N1+ ATOM 0 H LYS A 725 58.400 0.259 18.045 1.00 0.00 H new ATOM 0 HA LYS A 725 56.651 1.058 19.204 1.00 0.00 H new ATOM 0 HB2 LYS A 725 57.056 -1.714 20.411 1.00 0.00 H new ATOM 0 HB3 LYS A 725 55.662 -0.730 20.808 1.00 0.00 H new ATOM 0 HG2 LYS A 725 56.352 -1.087 17.883 1.00 0.00 H new ATOM 0 HG3 LYS A 725 55.622 -2.441 18.723 1.00 0.00 H new ATOM 0 HD2 LYS A 725 54.390 0.312 19.045 1.00 0.00 H new ATOM 0 HD3 LYS A 725 54.085 -0.580 17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 725 53.623 -1.730 20.368 1.00 0.00 H new ATOM 0 HE3 LYS A 725 52.362 -0.988 19.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 52.130 -3.155 18.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 53.266 -2.671 17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 53.773 -3.529 18.975 1.00 0.00 H new ATOM 673 N LYS A 726 57.677 0.195 22.180 1.00 0.00 N ATOM 674 CA LYS A 726 58.036 0.686 23.510 1.00 0.00 C ATOM 675 C LYS A 726 56.923 1.565 24.081 1.00 0.00 C ATOM 676 O LYS A 726 56.660 2.655 23.571 1.00 0.00 O ATOM 677 CB LYS A 726 59.349 1.479 23.450 1.00 0.00 C ATOM 678 CG LYS A 726 60.130 1.289 24.757 1.00 0.00 C ATOM 679 CD LYS A 726 61.109 2.453 24.940 1.00 0.00 C ATOM 680 CE LYS A 726 61.970 2.216 26.185 1.00 0.00 C ATOM 681 NZ LYS A 726 63.129 1.349 25.831 1.00 0.00 N1+ ATOM 0 H LYS A 726 57.507 -0.810 22.135 1.00 0.00 H new ATOM 0 HA LYS A 726 58.171 -0.175 24.165 1.00 0.00 H new ATOM 0 HB2 LYS A 726 59.949 1.143 22.605 1.00 0.00 H new ATOM 0 HB3 LYS A 726 59.139 2.537 23.291 1.00 0.00 H new ATOM 0 HG2 LYS A 726 59.442 1.242 25.601 1.00 0.00 H new ATOM 0 HG3 LYS A 726 60.672 0.344 24.735 1.00 0.00 H new ATOM 0 HD2 LYS A 726 61.745 2.547 24.060 1.00 0.00 H new ATOM 0 HD3 LYS A 726 60.560 3.390 25.039 1.00 0.00 H new ATOM 0 HE2 LYS A 726 62.322 3.168 26.583 1.00 0.00 H new ATOM 0 HE3 LYS A 726 61.375 1.744 26.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 63.417 0.797 26.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 62.857 0.702 25.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 63.923 1.942 25.518 1.00 0.00 H new ATOM 695 N GLN A 727 56.163 1.004 25.020 1.00 0.00 N ATOM 696 CA GLN A 727 55.018 1.705 25.595 1.00 0.00 C ATOM 697 C GLN A 727 54.803 1.285 27.048 1.00 0.00 C ATOM 698 O GLN A 727 54.560 2.125 27.915 1.00 0.00 O ATOM 699 CB GLN A 727 53.748 1.415 24.781 1.00 0.00 C ATOM 700 CG GLN A 727 53.903 0.096 24.012 1.00 0.00 C ATOM 701 CD GLN A 727 52.556 -0.339 23.440 1.00 0.00 C ATOM 702 OE1 GLN A 727 52.289 -1.535 23.326 1.00 0.00 O ATOM 703 NE2 GLN A 727 51.729 0.562 22.985 1.00 0.00 N ATOM 0 H GLN A 727 56.319 0.069 25.397 1.00 0.00 H new ATOM 0 HA GLN A 727 55.226 2.775 25.564 1.00 0.00 H new ATOM 0 HB2 GLN A 727 52.886 1.358 25.446 1.00 0.00 H new ATOM 0 HB3 GLN A 727 53.560 2.231 24.084 1.00 0.00 H new ATOM 0 HG2 GLN A 727 54.627 0.219 23.206 1.00 0.00 H new ATOM 0 HG3 GLN A 727 54.292 -0.677 24.675 1.00 0.00 H new ATOM 0 HE21 GLN A 727 51.951 1.553 23.080 1.00 0.00 H new ATOM 0 HE22 GLN A 727 50.860 0.275 22.534 1.00 0.00 H new ATOM 712 N TYR A 728 54.889 -0.021 27.304 1.00 0.00 N ATOM 713 CA TYR A 728 54.777 -0.538 28.667 1.00 0.00 C ATOM 714 C TYR A 728 55.834 -1.608 28.920 1.00 0.00 C ATOM 715 O TYR A 728 56.609 -1.515 29.872 1.00 0.00 O ATOM 716 CB TYR A 728 53.382 -1.134 28.890 1.00 0.00 C ATOM 717 CG TYR A 728 52.326 -0.115 28.527 1.00 0.00 C ATOM 718 CD1 TYR A 728 52.121 1.005 29.345 1.00 0.00 C ATOM 719 CD2 TYR A 728 51.591 -0.259 27.344 1.00 0.00 C ATOM 720 CE1 TYR A 728 51.289 2.042 28.909 1.00 0.00 C ATOM 721 CE2 TYR A 728 50.667 0.725 26.971 1.00 0.00 C ATOM 722 CZ TYR A 728 50.536 1.888 27.739 1.00 0.00 C ATOM 723 OH TYR A 728 49.611 2.847 27.382 1.00 0.00 O ATOM 0 H TYR A 728 55.035 -0.735 26.591 1.00 0.00 H new ATOM 0 HA TYR A 728 54.934 0.287 29.362 1.00 0.00 H new ATOM 0 HB2 TYR A 728 53.259 -2.031 28.283 1.00 0.00 H new ATOM 0 HB3 TYR A 728 53.267 -1.435 29.931 1.00 0.00 H new ATOM 0 HD1 TYR A 728 52.604 1.067 30.309 1.00 0.00 H new ATOM 0 HD2 TYR A 728 51.737 -1.128 26.720 1.00 0.00 H new ATOM 0 HE1 TYR A 728 51.228 2.960 29.474 1.00 0.00 H new ATOM 0 HE2 TYR A 728 50.056 0.587 26.091 1.00 0.00 H new ATOM 0 HH TYR A 728 49.177 2.586 26.543 1.00 0.00 H new TER 733 TYR A 728