USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=8 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 HE2:sc= 0.0553 X(o=0.055,f=-0.27) USER MOD Single : A 685 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 686 GLN : amide:sc= -0.0268 K(o=-0.027,f=-1.4!) USER MOD Single : A 687 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.203) USER MOD Single : A 697 SER OG : rot 180:sc= 0.316 USER MOD Single : A 698 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 699 LYS NZ :NH3+ -100:sc= -0.254 (180deg=-0.929) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 62:sc= 1.01 USER MOD Single : A 719 THR OG1 : rot 79:sc= 0.901 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ -153:sc=-0.00612 (180deg=-0.577) 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 63.790 7.680 -19.504 1.00 0.00 N ATOM 2 CA VAL A 683 64.796 6.724 -19.052 1.00 0.00 C ATOM 3 C VAL A 683 66.125 7.428 -18.797 1.00 0.00 C ATOM 4 O VAL A 683 66.463 8.399 -19.476 1.00 0.00 O ATOM 5 CB VAL A 683 64.987 5.626 -20.107 1.00 0.00 C ATOM 6 CG1 VAL A 683 65.987 4.585 -19.594 1.00 0.00 C ATOM 7 CG2 VAL A 683 63.641 4.946 -20.385 1.00 0.00 C ATOM 0 HA VAL A 683 64.452 6.274 -18.121 1.00 0.00 H new ATOM 0 HB VAL A 683 65.369 6.071 -21.026 1.00 0.00 H new ATOM 0 HG11 VAL A 683 66.120 3.807 -20.346 1.00 0.00 H new ATOM 0 HG12 VAL A 683 66.945 5.067 -19.397 1.00 0.00 H new ATOM 0 HG13 VAL A 683 65.609 4.140 -18.674 1.00 0.00 H new ATOM 0 HG21 VAL A 683 63.775 4.166 -21.134 1.00 0.00 H new ATOM 0 HG22 VAL A 683 63.260 4.503 -19.465 1.00 0.00 H new ATOM 0 HG23 VAL A 683 62.929 5.685 -20.754 1.00 0.00 H new ATOM 16 N HIS A 684 66.825 6.992 -17.750 1.00 0.00 N ATOM 17 CA HIS A 684 68.125 7.566 -17.407 1.00 0.00 C ATOM 18 C HIS A 684 67.981 9.031 -16.998 1.00 0.00 C ATOM 19 O HIS A 684 68.973 9.754 -16.898 1.00 0.00 O ATOM 20 CB HIS A 684 69.083 7.453 -18.601 1.00 0.00 C ATOM 21 CG HIS A 684 70.431 6.983 -18.125 1.00 0.00 C ATOM 22 ND1 HIS A 684 71.155 7.667 -17.160 1.00 0.00 N ATOM 23 CD2 HIS A 684 71.226 5.933 -18.515 1.00 0.00 C ATOM 24 CE1 HIS A 684 72.263 6.950 -16.907 1.00 0.00 C ATOM 25 NE2 HIS A 684 72.404 5.941 -17.770 1.00 0.00 N ATOM 0 H HIS A 684 66.515 6.246 -17.127 1.00 0.00 H new ATOM 0 HA HIS A 684 68.532 7.008 -16.564 1.00 0.00 H new ATOM 0 HB2 HIS A 684 68.682 6.755 -19.337 1.00 0.00 H new ATOM 0 HB3 HIS A 684 69.178 8.419 -19.097 1.00 0.00 H new ATOM 0 HD1 HIS A 684 70.895 8.551 -16.723 1.00 0.00 H new ATOM 0 HD2 HIS A 684 70.977 5.213 -19.280 1.00 0.00 H new ATOM 0 HE1 HIS A 684 72.954 7.163 -16.105 1.00 0.00 H new ATOM 33 N HIS A 685 66.759 9.423 -16.638 1.00 0.00 N ATOM 34 CA HIS A 685 66.482 10.809 -16.276 1.00 0.00 C ATOM 35 C HIS A 685 66.393 10.958 -14.760 1.00 0.00 C ATOM 36 O HIS A 685 67.280 11.542 -14.136 1.00 0.00 O ATOM 37 CB HIS A 685 65.166 11.264 -16.918 1.00 0.00 C ATOM 38 CG HIS A 685 65.241 12.733 -17.240 1.00 0.00 C ATOM 39 ND1 HIS A 685 66.007 13.221 -18.285 1.00 0.00 N ATOM 40 CD2 HIS A 685 64.659 13.832 -16.655 1.00 0.00 C ATOM 41 CE1 HIS A 685 65.899 14.563 -18.276 1.00 0.00 C ATOM 42 NE2 HIS A 685 65.067 14.985 -17.321 1.00 0.00 N ATOM 0 H HIS A 685 65.951 8.803 -16.590 1.00 0.00 H new ATOM 0 HA HIS A 685 67.298 11.432 -16.643 1.00 0.00 H new ATOM 0 HB2 HIS A 685 64.976 10.692 -17.826 1.00 0.00 H new ATOM 0 HB3 HIS A 685 64.334 11.072 -16.240 1.00 0.00 H new ATOM 0 HD2 HIS A 685 63.988 13.806 -15.809 1.00 0.00 H new ATOM 0 HE1 HIS A 685 66.421 15.218 -18.958 1.00 0.00 H new ATOM 0 HE2 HIS A 685 64.790 15.946 -17.122 1.00 0.00 H new ATOM 50 N GLN A 686 65.412 10.282 -14.165 1.00 0.00 N ATOM 51 CA GLN A 686 65.237 10.314 -12.715 1.00 0.00 C ATOM 52 C GLN A 686 64.230 9.256 -12.274 1.00 0.00 C ATOM 53 O GLN A 686 63.170 9.109 -12.883 1.00 0.00 O ATOM 54 CB GLN A 686 64.747 11.698 -12.276 1.00 0.00 C ATOM 55 CG GLN A 686 65.103 11.924 -10.802 1.00 0.00 C ATOM 56 CD GLN A 686 64.419 13.184 -10.280 1.00 0.00 C ATOM 57 OE1 GLN A 686 63.324 13.527 -10.724 1.00 0.00 O ATOM 58 NE2 GLN A 686 64.948 13.830 -9.278 1.00 0.00 N ATOM 0 H GLN A 686 64.730 9.709 -14.661 1.00 0.00 H new ATOM 0 HA GLN A 686 66.199 10.104 -12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 686 65.205 12.470 -12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 686 63.669 11.775 -12.416 1.00 0.00 H new ATOM 0 HG2 GLN A 686 64.794 11.062 -10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 686 66.183 12.016 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 686 65.856 13.546 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 686 64.454 14.620 -8.862 1.00 0.00 H new ATOM 67 N LYS A 687 64.477 8.669 -11.104 1.00 0.00 N ATOM 68 CA LYS A 687 63.562 7.679 -10.543 1.00 0.00 C ATOM 69 C LYS A 687 62.706 8.304 -9.445 1.00 0.00 C ATOM 70 O LYS A 687 63.222 8.703 -8.400 1.00 0.00 O ATOM 71 CB LYS A 687 64.356 6.498 -9.972 1.00 0.00 C ATOM 72 CG LYS A 687 64.323 5.331 -10.965 1.00 0.00 C ATOM 73 CD LYS A 687 65.175 4.175 -10.429 1.00 0.00 C ATOM 74 CE LYS A 687 64.542 2.839 -10.830 1.00 0.00 C ATOM 75 NZ LYS A 687 64.426 2.765 -12.314 1.00 0.00 N1+ ATOM 0 H LYS A 687 65.298 8.861 -10.530 1.00 0.00 H new ATOM 0 HA LYS A 687 62.907 7.323 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 687 65.386 6.798 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 687 63.932 6.189 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 687 63.296 4.999 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 687 64.700 5.655 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 687 66.188 4.242 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 687 65.253 4.240 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 687 65.149 2.012 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 687 63.557 2.740 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 64.240 1.782 -12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 63.643 3.372 -12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 65.314 3.090 -12.748 1.00 0.00 H new ATOM 89 N LEU A 688 61.451 8.593 -9.786 1.00 0.00 N ATOM 90 CA LEU A 688 60.518 9.193 -8.835 1.00 0.00 C ATOM 91 C LEU A 688 59.210 8.405 -8.795 1.00 0.00 C ATOM 92 O LEU A 688 58.464 8.475 -7.817 1.00 0.00 O ATOM 93 CB LEU A 688 60.230 10.645 -9.231 1.00 0.00 C ATOM 94 CG LEU A 688 59.703 10.698 -10.673 1.00 0.00 C ATOM 95 CD1 LEU A 688 58.268 11.236 -10.675 1.00 0.00 C ATOM 96 CD2 LEU A 688 60.594 11.617 -11.514 1.00 0.00 C ATOM 0 H LEU A 688 61.058 8.422 -10.712 1.00 0.00 H new ATOM 0 HA LEU A 688 60.973 9.169 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 688 59.497 11.078 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 688 61.138 11.242 -9.144 1.00 0.00 H new ATOM 0 HG LEU A 688 59.716 9.694 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 688 57.895 11.273 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 688 57.632 10.579 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 688 58.255 12.238 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 688 60.218 11.653 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 688 60.585 12.621 -11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 688 61.614 11.233 -11.516 1.00 0.00 H new ATOM 108 N VAL A 689 58.998 7.573 -9.812 1.00 0.00 N ATOM 109 CA VAL A 689 57.803 6.735 -9.874 1.00 0.00 C ATOM 110 C VAL A 689 57.786 5.729 -8.722 1.00 0.00 C ATOM 111 O VAL A 689 56.733 5.197 -8.371 1.00 0.00 O ATOM 112 CB VAL A 689 57.760 5.992 -11.217 1.00 0.00 C ATOM 113 CG1 VAL A 689 58.991 5.089 -11.348 1.00 0.00 C ATOM 114 CG2 VAL A 689 56.488 5.140 -11.297 1.00 0.00 C ATOM 0 H VAL A 689 59.635 7.461 -10.601 1.00 0.00 H new ATOM 0 HA VAL A 689 56.925 7.375 -9.785 1.00 0.00 H new ATOM 0 HB VAL A 689 57.758 6.720 -12.028 1.00 0.00 H new ATOM 0 HG11 VAL A 689 58.957 4.563 -12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 689 59.895 5.697 -11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 689 58.998 4.364 -10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 689 56.462 4.615 -12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 689 56.484 4.415 -10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.613 5.784 -11.213 1.00 0.00 H new ATOM 124 N PHE A 690 58.927 5.592 -8.050 1.00 0.00 N ATOM 125 CA PHE A 690 59.051 4.649 -6.943 1.00 0.00 C ATOM 126 C PHE A 690 58.049 4.978 -5.840 1.00 0.00 C ATOM 127 O PHE A 690 57.192 4.159 -5.505 1.00 0.00 O ATOM 128 CB PHE A 690 60.475 4.703 -6.374 1.00 0.00 C ATOM 129 CG PHE A 690 61.042 3.304 -6.290 1.00 0.00 C ATOM 130 CD1 PHE A 690 60.598 2.428 -5.293 1.00 0.00 C ATOM 131 CD2 PHE A 690 62.007 2.884 -7.214 1.00 0.00 C ATOM 132 CE1 PHE A 690 61.119 1.130 -5.220 1.00 0.00 C ATOM 133 CE2 PHE A 690 62.552 1.599 -7.118 1.00 0.00 C ATOM 134 CZ PHE A 690 62.101 0.718 -6.128 1.00 0.00 C ATOM 0 H PHE A 690 59.776 6.120 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 690 58.843 3.647 -7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 690 61.107 5.325 -7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.465 5.162 -5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 690 59.854 2.753 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 690 62.330 3.551 -8.000 1.00 0.00 H new ATOM 0 HE1 PHE A 690 60.763 0.447 -4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 690 63.321 1.286 -7.808 1.00 0.00 H new ATOM 0 HZ PHE A 690 62.511 -0.279 -6.065 1.00 0.00 H new ATOM 144 N PHE A 691 58.088 6.221 -5.367 1.00 0.00 N ATOM 145 CA PHE A 691 57.145 6.679 -4.352 1.00 0.00 C ATOM 146 C PHE A 691 55.772 6.928 -4.968 1.00 0.00 C ATOM 147 O PHE A 691 54.745 6.744 -4.313 1.00 0.00 O ATOM 148 CB PHE A 691 57.662 7.970 -3.708 1.00 0.00 C ATOM 149 CG PHE A 691 58.989 7.705 -3.034 1.00 0.00 C ATOM 150 CD1 PHE A 691 60.180 7.827 -3.761 1.00 0.00 C ATOM 151 CD2 PHE A 691 59.028 7.326 -1.686 1.00 0.00 C ATOM 152 CE1 PHE A 691 61.406 7.547 -3.146 1.00 0.00 C ATOM 153 CE2 PHE A 691 60.258 7.102 -1.058 1.00 0.00 C ATOM 154 CZ PHE A 691 61.448 7.210 -1.789 1.00 0.00 C ATOM 0 H PHE A 691 58.760 6.926 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 691 57.052 5.904 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 691 57.776 8.746 -4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 691 56.940 8.339 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 691 60.153 8.137 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 691 58.109 7.207 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 691 62.320 7.591 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 691 60.290 6.846 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 691 62.397 7.033 -1.305 1.00 0.00 H new ATOM 164 N ALA A 692 55.763 7.341 -6.236 1.00 0.00 N ATOM 165 CA ALA A 692 54.511 7.607 -6.937 1.00 0.00 C ATOM 166 C ALA A 692 53.717 6.319 -7.140 1.00 0.00 C ATOM 167 O ALA A 692 52.569 6.354 -7.578 1.00 0.00 O ATOM 168 CB ALA A 692 54.797 8.243 -8.300 1.00 0.00 C ATOM 0 H ALA A 692 56.603 7.497 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 692 53.922 8.292 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 692 53.856 8.438 -8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.334 9.181 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 692 55.405 7.564 -8.898 1.00 0.00 H new ATOM 174 N GLU A 693 54.375 5.183 -6.920 1.00 0.00 N ATOM 175 CA GLU A 693 53.693 3.895 -6.974 1.00 0.00 C ATOM 176 C GLU A 693 52.572 3.830 -5.936 1.00 0.00 C ATOM 177 O GLU A 693 51.595 3.104 -6.123 1.00 0.00 O ATOM 178 CB GLU A 693 54.694 2.763 -6.722 1.00 0.00 C ATOM 179 CG GLU A 693 54.177 1.463 -7.351 1.00 0.00 C ATOM 180 CD GLU A 693 54.656 1.355 -8.795 1.00 0.00 C ATOM 181 OE1 GLU A 693 55.829 1.086 -8.990 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 53.843 1.545 -9.685 1.00 0.00 O ATOM 0 H GLU A 693 55.371 5.129 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 693 53.256 3.780 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 693 55.664 3.022 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 693 54.840 2.626 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 693 54.530 0.606 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 693 53.088 1.442 -7.318 1.00 0.00 H new ATOM 189 N ASP A 694 52.623 4.729 -4.957 1.00 0.00 N ATOM 190 CA ASP A 694 51.726 4.648 -3.808 1.00 0.00 C ATOM 191 C ASP A 694 50.334 5.162 -4.166 1.00 0.00 C ATOM 192 O ASP A 694 49.359 4.858 -3.474 1.00 0.00 O ATOM 193 CB ASP A 694 52.284 5.477 -2.650 1.00 0.00 C ATOM 194 CG ASP A 694 53.539 4.818 -2.082 1.00 0.00 C ATOM 195 OD1 ASP A 694 54.353 4.366 -2.874 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 53.770 4.973 -0.895 1.00 0.00 O ATOM 0 H ASP A 694 53.271 5.517 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 694 51.651 3.602 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 694 52.518 6.484 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 694 51.531 5.575 -1.868 1.00 0.00 H new ATOM 201 N VAL A 695 50.226 5.783 -5.339 1.00 0.00 N ATOM 202 CA VAL A 695 48.933 6.244 -5.839 1.00 0.00 C ATOM 203 C VAL A 695 48.052 5.061 -6.237 1.00 0.00 C ATOM 204 O VAL A 695 46.923 5.246 -6.695 1.00 0.00 O ATOM 205 CB VAL A 695 49.136 7.169 -7.051 1.00 0.00 C ATOM 206 CG1 VAL A 695 50.080 8.317 -6.672 1.00 0.00 C ATOM 207 CG2 VAL A 695 49.732 6.379 -8.227 1.00 0.00 C ATOM 0 H VAL A 695 51.013 5.978 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 695 48.436 6.796 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 695 48.170 7.576 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 695 50.222 8.971 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 695 49.647 8.888 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 695 51.043 7.910 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 695 49.871 7.044 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 695 50.694 5.960 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 695 49.054 5.572 -8.504 1.00 0.00 H new ATOM 217 N GLY A 696 48.618 3.859 -6.159 1.00 0.00 N ATOM 218 CA GLY A 696 47.903 2.652 -6.561 1.00 0.00 C ATOM 219 C GLY A 696 46.536 2.577 -5.888 1.00 0.00 C ATOM 220 O GLY A 696 46.364 3.037 -4.756 1.00 0.00 O ATOM 0 H GLY A 696 49.567 3.696 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 696 47.780 2.641 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 696 48.491 1.772 -6.298 1.00 0.00 H new ATOM 224 N SER A 697 45.550 2.072 -6.627 1.00 0.00 N ATOM 225 CA SER A 697 44.173 2.038 -6.143 1.00 0.00 C ATOM 226 C SER A 697 43.593 0.630 -6.285 1.00 0.00 C ATOM 227 O SER A 697 44.340 -0.346 -6.377 1.00 0.00 O ATOM 228 CB SER A 697 43.319 3.037 -6.934 1.00 0.00 C ATOM 229 OG SER A 697 42.103 3.278 -6.239 1.00 0.00 O ATOM 0 H SER A 697 45.679 1.682 -7.561 1.00 0.00 H new ATOM 0 HA SER A 697 44.165 2.314 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 697 43.864 3.971 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 697 43.110 2.644 -7.929 1.00 0.00 H new ATOM 0 HG SER A 697 41.559 3.918 -6.744 1.00 0.00 H new ATOM 235 N ASN A 698 42.268 0.525 -6.167 1.00 0.00 N ATOM 236 CA ASN A 698 41.585 -0.769 -6.239 1.00 0.00 C ATOM 237 C ASN A 698 41.885 -1.615 -5.003 1.00 0.00 C ATOM 238 O ASN A 698 42.980 -1.549 -4.443 1.00 0.00 O ATOM 239 CB ASN A 698 42.011 -1.530 -7.503 1.00 0.00 C ATOM 240 CG ASN A 698 40.782 -1.934 -8.313 1.00 0.00 C ATOM 241 OD1 ASN A 698 40.307 -3.064 -8.199 1.00 0.00 O ATOM 242 ND2 ASN A 698 40.229 -1.069 -9.116 1.00 0.00 N ATOM 0 H ASN A 698 41.646 1.320 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 698 40.512 -0.579 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 698 42.666 -0.905 -8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 698 42.582 -2.417 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 698 39.401 -1.328 -9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 698 40.625 -0.133 -9.208 1.00 0.00 H new ATOM 249 N LYS A 699 40.903 -2.413 -4.586 1.00 0.00 N ATOM 250 CA LYS A 699 41.059 -3.254 -3.402 1.00 0.00 C ATOM 251 C LYS A 699 41.764 -4.557 -3.762 1.00 0.00 C ATOM 252 O LYS A 699 42.842 -4.846 -3.245 1.00 0.00 O ATOM 253 CB LYS A 699 39.689 -3.565 -2.793 1.00 0.00 C ATOM 254 CG LYS A 699 38.953 -2.256 -2.479 1.00 0.00 C ATOM 255 CD LYS A 699 38.563 -2.221 -0.996 1.00 0.00 C ATOM 256 CE LYS A 699 37.604 -3.376 -0.683 1.00 0.00 C ATOM 257 NZ LYS A 699 38.292 -4.374 0.184 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.997 -2.494 -5.047 1.00 0.00 H new ATOM 0 HA LYS A 699 41.664 -2.713 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.101 -4.167 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.810 -4.153 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.590 -1.404 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.062 -2.171 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 699 39.455 -2.298 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 699 38.090 -1.269 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 699 36.713 -2.997 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 699 37.273 -3.849 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 38.620 -5.171 -0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 39.107 -3.926 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 37.629 -4.722 0.906 1.00 0.00 H new ATOM 271 N GLY A 700 41.259 -5.223 -4.797 1.00 0.00 N ATOM 272 CA GLY A 700 41.807 -6.513 -5.212 1.00 0.00 C ATOM 273 C GLY A 700 43.241 -6.364 -5.713 1.00 0.00 C ATOM 274 O GLY A 700 44.015 -7.319 -5.679 1.00 0.00 O ATOM 0 H GLY A 700 40.476 -4.894 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.782 -7.209 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.186 -6.939 -5.999 1.00 0.00 H new ATOM 278 N ALA A 701 43.643 -5.118 -5.959 1.00 0.00 N ATOM 279 CA ALA A 701 45.013 -4.827 -6.367 1.00 0.00 C ATOM 280 C ALA A 701 46.002 -5.205 -5.268 1.00 0.00 C ATOM 281 O ALA A 701 47.145 -5.558 -5.552 1.00 0.00 O ATOM 282 CB ALA A 701 45.152 -3.338 -6.690 1.00 0.00 C ATOM 0 H ALA A 701 43.041 -4.298 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 701 45.238 -5.419 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.177 -3.126 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.471 -3.076 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.907 -2.749 -5.806 1.00 0.00 H new ATOM 288 N ILE A 702 45.527 -5.223 -4.023 1.00 0.00 N ATOM 289 CA ILE A 702 46.401 -5.485 -2.880 1.00 0.00 C ATOM 290 C ILE A 702 47.118 -6.823 -3.041 1.00 0.00 C ATOM 291 O ILE A 702 48.298 -6.943 -2.710 1.00 0.00 O ATOM 292 CB ILE A 702 45.585 -5.490 -1.579 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.475 -6.552 -1.661 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.959 -4.108 -1.362 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.877 -7.785 -0.848 1.00 0.00 C ATOM 0 H ILE A 702 44.549 -5.061 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 702 47.147 -4.692 -2.835 1.00 0.00 H new ATOM 0 HB ILE A 702 46.244 -5.726 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.539 -6.143 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.302 -6.831 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.380 -4.112 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.747 -3.358 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.304 -3.870 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.088 -8.534 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.802 -8.199 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.028 -7.501 0.193 1.00 0.00 H new ATOM 307 N ILE A 703 46.462 -7.753 -3.731 1.00 0.00 N ATOM 308 CA ILE A 703 47.067 -9.045 -4.044 1.00 0.00 C ATOM 309 C ILE A 703 48.288 -8.860 -4.945 1.00 0.00 C ATOM 310 O ILE A 703 49.398 -9.256 -4.589 1.00 0.00 O ATOM 311 CB ILE A 703 46.030 -9.942 -4.737 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.064 -10.518 -3.688 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.732 -11.084 -5.484 1.00 0.00 C ATOM 314 CD1 ILE A 703 45.707 -11.716 -2.977 1.00 0.00 C ATOM 0 H ILE A 703 45.512 -7.636 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 703 47.393 -9.518 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 703 45.468 -9.346 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.806 -9.749 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.136 -10.826 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.987 -11.713 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.403 -10.669 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.306 -11.683 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 703 45.013 -12.115 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 703 45.942 -12.490 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 703 46.623 -11.396 -2.480 1.00 0.00 H new ATOM 326 N GLY A 704 48.102 -8.114 -6.032 1.00 0.00 N ATOM 327 CA GLY A 704 49.150 -7.965 -7.037 1.00 0.00 C ATOM 328 C GLY A 704 50.191 -6.937 -6.597 1.00 0.00 C ATOM 329 O GLY A 704 51.394 -7.158 -6.750 1.00 0.00 O ATOM 0 H GLY A 704 47.241 -7.607 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.634 -8.927 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.708 -7.657 -7.985 1.00 0.00 H new ATOM 333 N LEU A 705 49.730 -5.901 -5.896 1.00 0.00 N ATOM 334 CA LEU A 705 50.631 -4.893 -5.338 1.00 0.00 C ATOM 335 C LEU A 705 51.576 -5.513 -4.313 1.00 0.00 C ATOM 336 O LEU A 705 52.730 -5.103 -4.199 1.00 0.00 O ATOM 337 CB LEU A 705 49.817 -3.779 -4.671 1.00 0.00 C ATOM 338 CG LEU A 705 49.018 -3.020 -5.736 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.028 -2.071 -5.051 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.975 -2.214 -6.620 1.00 0.00 C ATOM 0 H LEU A 705 48.742 -5.738 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 705 51.224 -4.479 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.141 -4.203 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.482 -3.095 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 705 48.470 -3.731 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.459 -1.531 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.345 -2.647 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.575 -1.360 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.405 -1.675 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.526 -1.502 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.676 -2.891 -7.108 1.00 0.00 H new ATOM 352 N MET A 706 51.114 -6.574 -3.655 1.00 0.00 N ATOM 353 CA MET A 706 51.918 -7.238 -2.633 1.00 0.00 C ATOM 354 C MET A 706 53.167 -7.861 -3.251 1.00 0.00 C ATOM 355 O MET A 706 54.222 -7.913 -2.617 1.00 0.00 O ATOM 356 CB MET A 706 51.090 -8.325 -1.944 1.00 0.00 C ATOM 357 CG MET A 706 50.934 -7.989 -0.460 1.00 0.00 C ATOM 358 SD MET A 706 50.013 -9.316 0.361 1.00 0.00 S ATOM 359 CE MET A 706 50.690 -9.072 2.022 1.00 0.00 C ATOM 0 H MET A 706 50.195 -6.989 -3.810 1.00 0.00 H new ATOM 0 HA MET A 706 52.225 -6.493 -1.899 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.110 -8.403 -2.415 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.576 -9.294 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.914 -7.871 0.003 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.410 -7.041 -0.343 1.00 0.00 H new ATOM 0 HE1 MET A 706 50.250 -9.799 2.705 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.772 -9.205 1.997 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.456 -8.064 2.366 1.00 0.00 H new ATOM 369 N VAL A 707 53.054 -8.275 -4.511 1.00 0.00 N ATOM 370 CA VAL A 707 54.182 -8.886 -5.210 1.00 0.00 C ATOM 371 C VAL A 707 55.350 -7.908 -5.298 1.00 0.00 C ATOM 372 O VAL A 707 56.486 -8.261 -4.979 1.00 0.00 O ATOM 373 CB VAL A 707 53.759 -9.311 -6.623 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.932 -10.005 -7.323 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.575 -10.280 -6.537 1.00 0.00 C ATOM 0 H VAL A 707 52.201 -8.200 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 707 54.499 -9.765 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 707 53.466 -8.428 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.630 -10.306 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.775 -9.317 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.226 -10.886 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.277 -10.580 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.867 -11.162 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.738 -9.788 -6.042 1.00 0.00 H new ATOM 385 N GLY A 708 55.032 -6.642 -5.563 1.00 0.00 N ATOM 386 CA GLY A 708 56.054 -5.600 -5.628 1.00 0.00 C ATOM 387 C GLY A 708 56.175 -4.866 -4.296 1.00 0.00 C ATOM 388 O GLY A 708 57.048 -4.014 -4.128 1.00 0.00 O ATOM 0 H GLY A 708 54.081 -6.315 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 708 57.014 -6.044 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.804 -4.890 -6.417 1.00 0.00 H new ATOM 392 N GLY A 709 55.385 -5.298 -3.314 1.00 0.00 N ATOM 393 CA GLY A 709 55.390 -4.660 -2.000 1.00 0.00 C ATOM 394 C GLY A 709 56.547 -5.172 -1.145 1.00 0.00 C ATOM 395 O GLY A 709 56.641 -4.847 0.038 1.00 0.00 O ATOM 0 H GLY A 709 54.738 -6.082 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.471 -3.579 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.445 -4.856 -1.494 1.00 0.00 H new ATOM 399 N VAL A 710 57.496 -5.850 -1.788 1.00 0.00 N ATOM 400 CA VAL A 710 58.649 -6.399 -1.080 1.00 0.00 C ATOM 401 C VAL A 710 59.580 -5.281 -0.621 1.00 0.00 C ATOM 402 O VAL A 710 59.903 -5.182 0.562 1.00 0.00 O ATOM 403 CB VAL A 710 59.421 -7.373 -1.985 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.850 -8.785 -1.821 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.298 -6.938 -3.450 1.00 0.00 C ATOM 0 H VAL A 710 57.489 -6.031 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 710 58.284 -6.937 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 710 60.473 -7.368 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.397 -9.476 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.949 -9.099 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.797 -8.786 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.848 -7.634 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.248 -6.934 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.711 -5.936 -3.568 1.00 0.00 H new ATOM 415 N VAL A 711 59.874 -4.354 -1.530 1.00 0.00 N ATOM 416 CA VAL A 711 60.799 -3.265 -1.231 1.00 0.00 C ATOM 417 C VAL A 711 60.198 -2.320 -0.193 1.00 0.00 C ATOM 418 O VAL A 711 60.818 -2.047 0.834 1.00 0.00 O ATOM 419 CB VAL A 711 61.132 -2.491 -2.515 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.843 -1.938 -3.138 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.079 -1.332 -2.187 1.00 0.00 C ATOM 0 H VAL A 711 59.488 -4.335 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 711 61.715 -3.691 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 711 61.614 -3.165 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 711 60.085 -1.390 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.172 -2.763 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.355 -1.268 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.314 -0.784 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.600 -0.661 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.998 -1.725 -1.753 1.00 0.00 H new ATOM 431 N ILE A 712 58.912 -2.024 -0.359 1.00 0.00 N ATOM 432 CA ILE A 712 58.206 -1.157 0.579 1.00 0.00 C ATOM 433 C ILE A 712 58.092 -1.827 1.944 1.00 0.00 C ATOM 434 O ILE A 712 58.348 -1.197 2.971 1.00 0.00 O ATOM 435 CB ILE A 712 56.807 -0.836 0.034 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.929 0.186 -1.104 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.932 -0.255 1.150 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.866 -0.100 -2.169 1.00 0.00 C ATOM 0 H ILE A 712 58.340 -2.370 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 712 58.770 -0.231 0.694 1.00 0.00 H new ATOM 0 HB ILE A 712 56.348 -1.751 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.804 1.196 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.924 0.136 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.941 -0.030 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.844 -0.981 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.387 0.659 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.955 0.627 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.011 -1.104 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.874 -0.027 -1.722 1.00 0.00 H new ATOM 450 N ALA A 713 57.892 -3.143 1.937 1.00 0.00 N ATOM 451 CA ALA A 713 57.799 -3.897 3.182 1.00 0.00 C ATOM 452 C ALA A 713 59.072 -3.729 4.007 1.00 0.00 C ATOM 453 O ALA A 713 59.034 -3.112 5.071 1.00 0.00 O ATOM 454 CB ALA A 713 57.561 -5.380 2.882 1.00 0.00 C ATOM 0 H ALA A 713 57.792 -3.704 1.091 1.00 0.00 H new ATOM 0 HA ALA A 713 56.958 -3.511 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.493 -5.934 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.631 -5.494 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.389 -5.769 2.289 1.00 0.00 H new ATOM 460 N THR A 714 60.214 -3.969 3.364 1.00 0.00 N ATOM 461 CA THR A 714 61.505 -3.850 4.040 1.00 0.00 C ATOM 462 C THR A 714 61.713 -2.429 4.561 1.00 0.00 C ATOM 463 O THR A 714 62.103 -2.237 5.711 1.00 0.00 O ATOM 464 CB THR A 714 62.647 -4.216 3.080 1.00 0.00 C ATOM 465 OG1 THR A 714 62.139 -4.355 1.761 1.00 0.00 O ATOM 466 CG2 THR A 714 63.285 -5.535 3.522 1.00 0.00 C ATOM 0 H THR A 714 60.272 -4.245 2.384 1.00 0.00 H new ATOM 0 HA THR A 714 61.509 -4.540 4.884 1.00 0.00 H new ATOM 0 HB THR A 714 63.397 -3.425 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.762 -3.501 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.095 -5.794 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.681 -5.427 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.534 -6.325 3.509 1.00 0.00 H new ATOM 474 N VAL A 715 61.282 -1.447 3.772 1.00 0.00 N ATOM 475 CA VAL A 715 61.462 -0.044 4.139 1.00 0.00 C ATOM 476 C VAL A 715 60.697 0.275 5.420 1.00 0.00 C ATOM 477 O VAL A 715 61.296 0.648 6.428 1.00 0.00 O ATOM 478 CB VAL A 715 60.966 0.861 3.003 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.105 2.332 3.414 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.797 0.605 1.741 1.00 0.00 C ATOM 0 H VAL A 715 60.809 -1.595 2.881 1.00 0.00 H new ATOM 0 HA VAL A 715 62.523 0.137 4.309 1.00 0.00 H new ATOM 0 HB VAL A 715 59.918 0.639 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.752 2.971 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.511 2.518 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.152 2.554 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.443 1.249 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.845 0.823 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.694 -0.439 1.443 1.00 0.00 H new ATOM 490 N ILE A 716 59.421 -0.103 5.436 1.00 0.00 N ATOM 491 CA ILE A 716 58.565 0.148 6.591 1.00 0.00 C ATOM 492 C ILE A 716 58.987 -0.730 7.769 1.00 0.00 C ATOM 493 O ILE A 716 59.102 -0.250 8.897 1.00 0.00 O ATOM 494 CB ILE A 716 57.099 -0.133 6.211 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.450 1.144 5.662 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.313 -0.603 7.442 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.238 1.658 4.452 1.00 0.00 C ATOM 0 H ILE A 716 58.959 -0.583 4.664 1.00 0.00 H new ATOM 0 HA ILE A 716 58.665 1.191 6.891 1.00 0.00 H new ATOM 0 HB ILE A 716 57.081 -0.913 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.418 0.942 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.421 1.909 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.278 -0.798 7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.761 -1.516 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.340 0.171 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.768 2.565 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.262 1.879 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.244 0.897 3.672 1.00 0.00 H new ATOM 509 N VAL A 717 59.397 -1.960 7.464 1.00 0.00 N ATOM 510 CA VAL A 717 59.767 -2.919 8.502 1.00 0.00 C ATOM 511 C VAL A 717 61.063 -2.491 9.186 1.00 0.00 C ATOM 512 O VAL A 717 61.168 -2.522 10.413 1.00 0.00 O ATOM 513 CB VAL A 717 59.946 -4.313 7.884 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.493 -5.282 8.940 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.596 -4.827 7.371 1.00 0.00 C ATOM 0 H VAL A 717 59.481 -2.314 6.511 1.00 0.00 H new ATOM 0 HA VAL A 717 58.971 -2.951 9.246 1.00 0.00 H new ATOM 0 HB VAL A 717 60.649 -4.248 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.618 -6.270 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.456 -4.921 9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.794 -5.344 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.726 -5.817 6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 717 57.891 -4.887 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.210 -4.143 6.615 1.00 0.00 H new ATOM 525 N ILE A 718 62.025 -2.038 8.386 1.00 0.00 N ATOM 526 CA ILE A 718 63.296 -1.558 8.920 1.00 0.00 C ATOM 527 C ILE A 718 63.074 -0.349 9.828 1.00 0.00 C ATOM 528 O ILE A 718 63.754 -0.197 10.844 1.00 0.00 O ATOM 529 CB ILE A 718 64.235 -1.180 7.765 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.783 -2.457 7.113 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.403 -0.338 8.295 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.360 -2.127 5.733 1.00 0.00 C ATOM 0 H ILE A 718 61.949 -1.993 7.370 1.00 0.00 H new ATOM 0 HA ILE A 718 63.751 -2.355 9.509 1.00 0.00 H new ATOM 0 HB ILE A 718 63.680 -0.600 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.555 -2.897 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 718 63.989 -3.198 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.065 -0.074 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.017 0.571 8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 718 65.959 -0.912 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.748 -3.036 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.577 -1.708 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.167 -1.402 5.840 1.00 0.00 H new ATOM 544 N THR A 719 62.024 0.418 9.540 1.00 0.00 N ATOM 545 CA THR A 719 61.682 1.574 10.365 1.00 0.00 C ATOM 546 C THR A 719 61.125 1.125 11.713 1.00 0.00 C ATOM 547 O THR A 719 61.434 1.714 12.749 1.00 0.00 O ATOM 548 CB THR A 719 60.645 2.444 9.647 1.00 0.00 C ATOM 549 OG1 THR A 719 60.990 2.558 8.274 1.00 0.00 O ATOM 550 CG2 THR A 719 60.616 3.838 10.281 1.00 0.00 C ATOM 0 H THR A 719 61.400 0.262 8.748 1.00 0.00 H new ATOM 0 HA THR A 719 62.589 2.155 10.533 1.00 0.00 H new ATOM 0 HB THR A 719 59.662 1.983 9.739 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.719 1.744 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.878 4.455 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.350 3.753 11.335 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.600 4.299 10.191 1.00 0.00 H new ATOM 558 N LEU A 720 60.368 0.029 11.699 1.00 0.00 N ATOM 559 CA LEU A 720 59.755 -0.486 12.921 1.00 0.00 C ATOM 560 C LEU A 720 60.824 -0.922 13.918 1.00 0.00 C ATOM 561 O LEU A 720 60.631 -0.823 15.130 1.00 0.00 O ATOM 562 CB LEU A 720 58.850 -1.680 12.587 1.00 0.00 C ATOM 563 CG LEU A 720 57.373 -1.264 12.652 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.996 -0.908 14.097 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.133 -0.052 11.743 1.00 0.00 C ATOM 0 H LEU A 720 60.166 -0.516 10.861 1.00 0.00 H new ATOM 0 HA LEU A 720 59.161 0.310 13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.085 -2.056 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.037 -2.494 13.288 1.00 0.00 H new ATOM 0 HG LEU A 720 56.754 -2.095 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.947 -0.614 14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.155 -1.775 14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.618 -0.082 14.442 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.084 0.238 11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.756 0.779 12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.389 -0.311 10.716 1.00 0.00 H new ATOM 577 N VAL A 721 61.964 -1.375 13.397 1.00 0.00 N ATOM 578 CA VAL A 721 63.085 -1.764 14.247 1.00 0.00 C ATOM 579 C VAL A 721 63.544 -0.584 15.100 1.00 0.00 C ATOM 580 O VAL A 721 63.746 -0.728 16.307 1.00 0.00 O ATOM 581 CB VAL A 721 64.251 -2.261 13.383 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.429 -2.655 14.282 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.807 -3.479 12.565 1.00 0.00 C ATOM 0 H VAL A 721 62.134 -1.481 12.397 1.00 0.00 H new ATOM 0 HA VAL A 721 62.756 -2.567 14.906 1.00 0.00 H new ATOM 0 HB VAL A 721 64.560 -1.463 12.708 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.256 -3.008 13.665 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.751 -1.789 14.860 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.119 -3.449 14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.638 -3.829 11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.493 -4.275 13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.974 -3.200 11.920 1.00 0.00 H new ATOM 593 N MET A 722 63.497 0.612 14.516 1.00 0.00 N ATOM 594 CA MET A 722 63.934 1.814 15.220 1.00 0.00 C ATOM 595 C MET A 722 62.938 2.185 16.315 1.00 0.00 C ATOM 596 O MET A 722 63.333 2.594 17.410 1.00 0.00 O ATOM 597 CB MET A 722 64.074 2.981 14.237 1.00 0.00 C ATOM 598 CG MET A 722 65.088 2.622 13.144 1.00 0.00 C ATOM 599 SD MET A 722 66.544 3.690 13.293 1.00 0.00 S ATOM 600 CE MET A 722 67.772 2.383 13.535 1.00 0.00 C ATOM 0 H MET A 722 63.164 0.773 13.566 1.00 0.00 H new ATOM 0 HA MET A 722 64.902 1.610 15.677 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.107 3.208 13.788 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.398 3.877 14.766 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.381 1.576 13.235 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.635 2.742 12.160 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.760 2.829 13.651 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.524 1.812 14.430 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.772 1.720 12.670 1.00 0.00 H new ATOM 610 N LEU A 723 61.660 1.902 16.070 1.00 0.00 N ATOM 611 CA LEU A 723 60.622 2.155 17.065 1.00 0.00 C ATOM 612 C LEU A 723 60.729 1.160 18.214 1.00 0.00 C ATOM 613 O LEU A 723 60.661 1.543 19.383 1.00 0.00 O ATOM 614 CB LEU A 723 59.236 2.047 16.424 1.00 0.00 C ATOM 615 CG LEU A 723 59.087 3.123 15.344 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.777 2.901 14.581 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.072 4.508 15.999 1.00 0.00 C ATOM 0 H LEU A 723 61.321 1.500 15.196 1.00 0.00 H new ATOM 0 HA LEU A 723 60.762 3.164 17.454 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.102 1.057 15.987 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.463 2.168 17.182 1.00 0.00 H new ATOM 0 HG LEU A 723 59.926 3.061 14.651 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.670 3.666 13.812 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.790 1.916 14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.938 2.962 15.274 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.966 5.273 15.230 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.234 4.573 16.693 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.005 4.665 16.540 1.00 0.00 H new ATOM 629 N LYS A 724 61.065 -0.082 17.879 1.00 0.00 N ATOM 630 CA LYS A 724 61.157 -1.136 18.884 1.00 0.00 C ATOM 631 C LYS A 724 62.338 -0.887 19.817 1.00 0.00 C ATOM 632 O LYS A 724 63.325 -0.260 19.429 1.00 0.00 O ATOM 633 CB LYS A 724 61.318 -2.499 18.206 1.00 0.00 C ATOM 634 CG LYS A 724 60.953 -3.606 19.199 1.00 0.00 C ATOM 635 CD LYS A 724 61.099 -4.975 18.526 1.00 0.00 C ATOM 636 CE LYS A 724 59.741 -5.430 17.987 1.00 0.00 C ATOM 637 NZ LYS A 724 59.893 -6.746 17.307 1.00 0.00 N1+ ATOM 0 H LYS A 724 61.277 -0.382 16.927 1.00 0.00 H new ATOM 0 HA LYS A 724 60.238 -1.131 19.470 1.00 0.00 H new ATOM 0 HB2 LYS A 724 60.677 -2.558 17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 724 62.344 -2.628 17.862 1.00 0.00 H new ATOM 0 HG2 LYS A 724 61.600 -3.550 20.074 1.00 0.00 H new ATOM 0 HG3 LYS A 724 59.930 -3.470 19.550 1.00 0.00 H new ATOM 0 HD2 LYS A 724 61.823 -4.916 17.713 1.00 0.00 H new ATOM 0 HD3 LYS A 724 61.481 -5.704 19.241 1.00 0.00 H new ATOM 0 HE2 LYS A 724 59.022 -5.511 18.803 1.00 0.00 H new ATOM 0 HE3 LYS A 724 59.349 -4.691 17.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 58.970 -7.056 16.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 60.566 -6.654 16.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 60.249 -7.449 17.986 1.00 0.00 H new ATOM 651 N LYS A 725 62.241 -1.419 21.035 1.00 0.00 N ATOM 652 CA LYS A 725 63.290 -1.243 22.036 1.00 0.00 C ATOM 653 C LYS A 725 63.568 0.240 22.274 1.00 0.00 C ATOM 654 O LYS A 725 64.399 0.845 21.594 1.00 0.00 O ATOM 655 CB LYS A 725 64.577 -1.949 21.588 1.00 0.00 C ATOM 656 CG LYS A 725 64.544 -3.415 22.035 1.00 0.00 C ATOM 657 CD LYS A 725 65.730 -4.165 21.416 1.00 0.00 C ATOM 658 CE LYS A 725 65.828 -5.568 22.024 1.00 0.00 C ATOM 659 NZ LYS A 725 66.565 -5.502 23.317 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.447 -1.975 21.351 1.00 0.00 H new ATOM 0 HA LYS A 725 62.946 -1.687 22.970 1.00 0.00 H new ATOM 0 HB2 LYS A 725 64.677 -1.891 20.504 1.00 0.00 H new ATOM 0 HB3 LYS A 725 65.446 -1.448 22.015 1.00 0.00 H new ATOM 0 HG2 LYS A 725 64.589 -3.476 23.122 1.00 0.00 H new ATOM 0 HG3 LYS A 725 63.607 -3.879 21.728 1.00 0.00 H new ATOM 0 HD2 LYS A 725 65.605 -4.234 20.335 1.00 0.00 H new ATOM 0 HD3 LYS A 725 66.654 -3.615 21.595 1.00 0.00 H new ATOM 0 HE2 LYS A 725 64.830 -5.977 22.183 1.00 0.00 H new ATOM 0 HE3 LYS A 725 66.341 -6.239 21.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 66.631 -6.455 23.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 67.522 -5.129 23.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 66.058 -4.876 23.974 1.00 0.00 H new ATOM 673 N LYS A 726 62.860 0.820 23.240 1.00 0.00 N ATOM 674 CA LYS A 726 62.999 2.243 23.538 1.00 0.00 C ATOM 675 C LYS A 726 62.880 2.487 25.039 1.00 0.00 C ATOM 676 O LYS A 726 63.823 2.963 25.673 1.00 0.00 O ATOM 677 CB LYS A 726 61.918 3.039 22.797 1.00 0.00 C ATOM 678 CG LYS A 726 62.449 4.435 22.453 1.00 0.00 C ATOM 679 CD LYS A 726 63.217 4.385 21.127 1.00 0.00 C ATOM 680 CE LYS A 726 64.407 5.348 21.181 1.00 0.00 C ATOM 681 NZ LYS A 726 63.951 6.682 21.665 1.00 0.00 N1+ ATOM 0 H LYS A 726 62.187 0.329 23.828 1.00 0.00 H new ATOM 0 HA LYS A 726 63.983 2.574 23.206 1.00 0.00 H new ATOM 0 HB2 LYS A 726 61.627 2.515 21.886 1.00 0.00 H new ATOM 0 HB3 LYS A 726 61.025 3.122 23.416 1.00 0.00 H new ATOM 0 HG2 LYS A 726 61.622 5.141 22.379 1.00 0.00 H new ATOM 0 HG3 LYS A 726 63.102 4.792 23.249 1.00 0.00 H new ATOM 0 HD2 LYS A 726 63.567 3.370 20.937 1.00 0.00 H new ATOM 0 HD3 LYS A 726 62.556 4.654 20.303 1.00 0.00 H new ATOM 0 HE2 LYS A 726 65.177 4.953 21.844 1.00 0.00 H new ATOM 0 HE3 LYS A 726 64.856 5.443 20.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 64.579 7.421 21.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 62.979 6.856 21.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 63.976 6.701 22.705 1.00 0.00 H new ATOM 695 N GLN A 727 61.785 2.004 25.624 1.00 0.00 N ATOM 696 CA GLN A 727 61.549 2.175 27.055 1.00 0.00 C ATOM 697 C GLN A 727 62.362 1.164 27.859 1.00 0.00 C ATOM 698 O GLN A 727 62.850 0.172 27.314 1.00 0.00 O ATOM 699 CB GLN A 727 60.058 1.996 27.364 1.00 0.00 C ATOM 700 CG GLN A 727 59.617 3.033 28.402 1.00 0.00 C ATOM 701 CD GLN A 727 58.159 2.799 28.788 1.00 0.00 C ATOM 702 OE1 GLN A 727 57.879 2.171 29.810 1.00 0.00 O ATOM 703 NE2 GLN A 727 57.209 3.271 28.028 1.00 0.00 N ATOM 0 H GLN A 727 61.052 1.494 25.132 1.00 0.00 H new ATOM 0 HA GLN A 727 61.861 3.180 27.337 1.00 0.00 H new ATOM 0 HB2 GLN A 727 59.472 2.108 26.452 1.00 0.00 H new ATOM 0 HB3 GLN A 727 59.873 0.990 27.740 1.00 0.00 H new ATOM 0 HG2 GLN A 727 60.251 2.967 29.286 1.00 0.00 H new ATOM 0 HG3 GLN A 727 59.738 4.038 27.998 1.00 0.00 H new ATOM 0 HE21 GLN A 727 57.443 3.791 27.182 1.00 0.00 H new ATOM 0 HE22 GLN A 727 56.232 3.120 28.280 1.00 0.00 H new ATOM 712 N TYR A 728 62.545 1.448 29.146 1.00 0.00 N ATOM 713 CA TYR A 728 63.304 0.561 30.022 1.00 0.00 C ATOM 714 C TYR A 728 62.798 0.667 31.457 1.00 0.00 C ATOM 715 O TYR A 728 62.295 -0.305 32.021 1.00 0.00 O ATOM 716 CB TYR A 728 64.792 0.927 29.974 1.00 0.00 C ATOM 717 CG TYR A 728 65.492 0.073 28.942 1.00 0.00 C ATOM 718 CD1 TYR A 728 65.780 -1.269 29.223 1.00 0.00 C ATOM 719 CD2 TYR A 728 65.882 0.630 27.718 1.00 0.00 C ATOM 720 CE1 TYR A 728 66.395 -2.070 28.254 1.00 0.00 C ATOM 721 CE2 TYR A 728 66.526 -0.163 26.761 1.00 0.00 C ATOM 722 CZ TYR A 728 66.773 -1.515 27.025 1.00 0.00 C ATOM 723 OH TYR A 728 67.447 -2.287 26.100 1.00 0.00 O ATOM 0 H TYR A 728 62.179 2.283 29.604 1.00 0.00 H new ATOM 0 HA TYR A 728 63.171 -0.464 29.676 1.00 0.00 H new ATOM 0 HB2 TYR A 728 64.909 1.982 29.727 1.00 0.00 H new ATOM 0 HB3 TYR A 728 65.246 0.776 30.954 1.00 0.00 H new ATOM 0 HD1 TYR A 728 65.528 -1.685 30.187 1.00 0.00 H new ATOM 0 HD2 TYR A 728 65.686 1.672 27.512 1.00 0.00 H new ATOM 0 HE1 TYR A 728 66.578 -3.115 28.454 1.00 0.00 H new ATOM 0 HE2 TYR A 728 66.832 0.268 25.819 1.00 0.00 H new ATOM 0 HH TYR A 728 67.634 -1.751 25.301 1.00 0.00 H new TER 733 TYR A 728