USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=6 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 X(o=0,f=0) USER MOD Single : A 685 HIS : no HD1:sc= -0.751 K(o=-0.75,f=-3!) USER MOD Single : A 686 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.33) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 54:sc= 0.322 USER MOD Single : A 698 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 699 LYS NZ :NH3+ 141:sc= -1.37 (180deg=-2.31!) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot -59:sc= 1.23 USER MOD Single : A 719 THR OG1 : rot 180:sc= -0.134 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+ 174:sc= -0.867 (180deg=-1.11) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -2.33! K(o=-2.3!,f=0.08) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 67.290 13.056 -14.577 1.00 0.00 N ATOM 2 CA VAL A 683 66.367 12.283 -13.753 1.00 0.00 C ATOM 3 C VAL A 683 65.504 13.210 -12.898 1.00 0.00 C ATOM 4 O VAL A 683 65.988 14.214 -12.374 1.00 0.00 O ATOM 5 CB VAL A 683 67.152 11.317 -12.853 1.00 0.00 C ATOM 6 CG1 VAL A 683 67.905 12.106 -11.774 1.00 0.00 C ATOM 7 CG2 VAL A 683 66.186 10.330 -12.188 1.00 0.00 C ATOM 0 HA VAL A 683 65.713 11.709 -14.409 1.00 0.00 H new ATOM 0 HB VAL A 683 67.870 10.766 -13.461 1.00 0.00 H new ATOM 0 HG11 VAL A 683 68.460 11.415 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 683 68.599 12.800 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 683 67.192 12.664 -11.167 1.00 0.00 H new ATOM 0 HG21 VAL A 683 66.746 9.646 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 683 65.463 10.879 -11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 683 65.661 9.762 -12.956 1.00 0.00 H new ATOM 16 N HIS A 684 64.206 12.919 -12.847 1.00 0.00 N ATOM 17 CA HIS A 684 63.281 13.701 -12.031 1.00 0.00 C ATOM 18 C HIS A 684 63.011 13.000 -10.701 1.00 0.00 C ATOM 19 O HIS A 684 63.851 12.251 -10.203 1.00 0.00 O ATOM 20 CB HIS A 684 61.960 13.900 -12.782 1.00 0.00 C ATOM 21 CG HIS A 684 62.239 14.353 -14.189 1.00 0.00 C ATOM 22 ND1 HIS A 684 63.003 15.474 -14.467 1.00 0.00 N ATOM 23 CD2 HIS A 684 61.943 13.792 -15.407 1.00 0.00 C ATOM 24 CE1 HIS A 684 63.069 15.599 -15.805 1.00 0.00 C ATOM 25 NE2 HIS A 684 62.455 14.590 -16.427 1.00 0.00 N ATOM 0 H HIS A 684 63.773 12.151 -13.359 1.00 0.00 H new ATOM 0 HA HIS A 684 63.736 14.671 -11.831 1.00 0.00 H new ATOM 0 HB2 HIS A 684 61.394 12.968 -12.795 1.00 0.00 H new ATOM 0 HB3 HIS A 684 61.346 14.639 -12.267 1.00 0.00 H new ATOM 0 HD2 HIS A 684 61.396 12.872 -15.552 1.00 0.00 H new ATOM 0 HE1 HIS A 684 63.559 16.416 -16.314 1.00 0.00 H new ATOM 0 HE2 HIS A 684 62.378 14.437 -17.432 1.00 0.00 H new ATOM 33 N HIS A 685 61.867 13.318 -10.094 1.00 0.00 N ATOM 34 CA HIS A 685 61.536 12.798 -8.772 1.00 0.00 C ATOM 35 C HIS A 685 60.797 11.469 -8.892 1.00 0.00 C ATOM 36 O HIS A 685 59.619 11.439 -9.249 1.00 0.00 O ATOM 37 CB HIS A 685 60.660 13.806 -8.022 1.00 0.00 C ATOM 38 CG HIS A 685 61.450 15.059 -7.747 1.00 0.00 C ATOM 39 ND1 HIS A 685 62.586 15.389 -8.470 1.00 0.00 N ATOM 40 CD2 HIS A 685 61.212 16.127 -6.917 1.00 0.00 C ATOM 41 CE1 HIS A 685 63.000 16.596 -8.050 1.00 0.00 C ATOM 42 NE2 HIS A 685 62.169 17.114 -7.142 1.00 0.00 N ATOM 0 H HIS A 685 61.158 13.931 -10.497 1.00 0.00 H new ATOM 0 HA HIS A 685 62.462 12.638 -8.219 1.00 0.00 H new ATOM 0 HB2 HIS A 685 59.776 14.044 -8.613 1.00 0.00 H new ATOM 0 HB3 HIS A 685 60.310 13.372 -7.085 1.00 0.00 H new ATOM 0 HD2 HIS A 685 60.407 16.192 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 685 63.895 17.087 -8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 685 62.223 18.035 -6.707 1.00 0.00 H new ATOM 50 N GLN A 686 61.550 10.376 -8.797 1.00 0.00 N ATOM 51 CA GLN A 686 60.964 9.042 -8.890 1.00 0.00 C ATOM 52 C GLN A 686 60.575 8.524 -7.506 1.00 0.00 C ATOM 53 O GLN A 686 60.156 7.375 -7.363 1.00 0.00 O ATOM 54 CB GLN A 686 61.965 8.078 -9.537 1.00 0.00 C ATOM 55 CG GLN A 686 61.696 7.988 -11.043 1.00 0.00 C ATOM 56 CD GLN A 686 61.782 9.375 -11.676 1.00 0.00 C ATOM 57 OE1 GLN A 686 62.877 9.894 -11.890 1.00 0.00 O ATOM 58 NE2 GLN A 686 60.685 10.033 -11.936 1.00 0.00 N ATOM 0 H GLN A 686 62.560 10.387 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 686 60.066 9.103 -9.505 1.00 0.00 H new ATOM 0 HB2 GLN A 686 62.984 8.423 -9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 686 61.879 7.091 -9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 686 62.420 7.321 -11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 686 60.709 7.560 -11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 686 59.778 9.602 -11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 686 60.735 10.978 -12.317 1.00 0.00 H new ATOM 67 N LYS A 687 60.570 9.424 -6.526 1.00 0.00 N ATOM 68 CA LYS A 687 60.062 9.092 -5.198 1.00 0.00 C ATOM 69 C LYS A 687 58.549 9.277 -5.137 1.00 0.00 C ATOM 70 O LYS A 687 57.874 9.263 -6.169 1.00 0.00 O ATOM 71 CB LYS A 687 60.735 9.984 -4.146 1.00 0.00 C ATOM 72 CG LYS A 687 61.050 9.158 -2.894 1.00 0.00 C ATOM 73 CD LYS A 687 62.376 8.415 -3.085 1.00 0.00 C ATOM 74 CE LYS A 687 63.523 9.256 -2.518 1.00 0.00 C ATOM 75 NZ LYS A 687 64.819 8.569 -2.779 1.00 0.00 N1+ ATOM 0 H LYS A 687 60.909 10.381 -6.625 1.00 0.00 H new ATOM 0 HA LYS A 687 60.293 8.047 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 687 61.652 10.412 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 687 60.081 10.817 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 687 61.110 9.810 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 687 60.247 8.446 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 687 62.338 7.448 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 687 62.545 8.218 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 687 63.524 10.245 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 687 63.386 9.402 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 65.598 9.140 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 64.815 7.635 -2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 64.949 8.452 -3.804 1.00 0.00 H new ATOM 89 N LEU A 688 58.012 9.302 -3.917 1.00 0.00 N ATOM 90 CA LEU A 688 56.569 9.427 -3.708 1.00 0.00 C ATOM 91 C LEU A 688 55.836 8.179 -4.198 1.00 0.00 C ATOM 92 O LEU A 688 54.629 8.046 -3.992 1.00 0.00 O ATOM 93 CB LEU A 688 56.022 10.663 -4.440 1.00 0.00 C ATOM 94 CG LEU A 688 56.959 11.862 -4.224 1.00 0.00 C ATOM 95 CD1 LEU A 688 56.361 13.105 -4.891 1.00 0.00 C ATOM 96 CD2 LEU A 688 57.133 12.120 -2.724 1.00 0.00 C ATOM 0 H LEU A 688 58.556 9.237 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 688 56.398 9.539 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 688 55.928 10.452 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 688 55.024 10.901 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 688 57.931 11.643 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 688 57.025 13.955 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 688 56.244 12.924 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 688 55.388 13.321 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 688 57.798 12.971 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 688 56.163 12.336 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 688 57.562 11.237 -2.250 1.00 0.00 H new ATOM 108 N VAL A 689 56.609 7.174 -4.613 1.00 0.00 N ATOM 109 CA VAL A 689 56.035 5.900 -5.037 1.00 0.00 C ATOM 110 C VAL A 689 55.587 5.083 -3.825 1.00 0.00 C ATOM 111 O VAL A 689 54.821 4.129 -3.966 1.00 0.00 O ATOM 112 CB VAL A 689 57.071 5.109 -5.847 1.00 0.00 C ATOM 113 CG1 VAL A 689 56.518 3.718 -6.184 1.00 0.00 C ATOM 114 CG2 VAL A 689 57.384 5.858 -7.147 1.00 0.00 C ATOM 0 H VAL A 689 57.627 7.218 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 689 55.164 6.099 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 689 57.981 5.002 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 689 57.258 3.162 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 689 56.297 3.181 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 689 55.606 3.822 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 689 58.120 5.296 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 689 56.471 5.967 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 689 57.784 6.844 -6.911 1.00 0.00 H new ATOM 124 N PHE A 690 55.899 5.587 -2.633 1.00 0.00 N ATOM 125 CA PHE A 690 55.424 4.968 -1.399 1.00 0.00 C ATOM 126 C PHE A 690 54.180 5.692 -0.882 1.00 0.00 C ATOM 127 O PHE A 690 53.269 5.067 -0.336 1.00 0.00 O ATOM 128 CB PHE A 690 56.543 4.991 -0.342 1.00 0.00 C ATOM 129 CG PHE A 690 56.300 6.093 0.666 1.00 0.00 C ATOM 130 CD1 PHE A 690 56.634 7.416 0.353 1.00 0.00 C ATOM 131 CD2 PHE A 690 55.812 5.779 1.942 1.00 0.00 C ATOM 132 CE1 PHE A 690 56.358 8.441 1.265 1.00 0.00 C ATOM 133 CE2 PHE A 690 55.560 6.802 2.864 1.00 0.00 C ATOM 134 CZ PHE A 690 55.803 8.135 2.514 1.00 0.00 C ATOM 0 H PHE A 690 56.475 6.417 -2.496 1.00 0.00 H new ATOM 0 HA PHE A 690 55.153 3.932 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 690 56.589 4.028 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 690 57.507 5.141 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 690 57.104 7.645 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 690 55.631 4.750 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 690 56.573 9.467 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 690 55.178 6.562 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 690 55.563 8.928 3.207 1.00 0.00 H new ATOM 144 N PHE A 691 54.101 6.991 -1.163 1.00 0.00 N ATOM 145 CA PHE A 691 53.003 7.813 -0.664 1.00 0.00 C ATOM 146 C PHE A 691 51.806 7.727 -1.607 1.00 0.00 C ATOM 147 O PHE A 691 50.682 7.471 -1.175 1.00 0.00 O ATOM 148 CB PHE A 691 53.467 9.270 -0.531 1.00 0.00 C ATOM 149 CG PHE A 691 52.278 10.205 -0.575 1.00 0.00 C ATOM 150 CD1 PHE A 691 51.367 10.230 0.491 1.00 0.00 C ATOM 151 CD2 PHE A 691 52.008 10.936 -1.738 1.00 0.00 C ATOM 152 CE1 PHE A 691 50.182 10.970 0.381 1.00 0.00 C ATOM 153 CE2 PHE A 691 50.768 11.565 -1.894 1.00 0.00 C ATOM 154 CZ PHE A 691 49.885 11.641 -0.811 1.00 0.00 C ATOM 0 H PHE A 691 54.782 7.495 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 691 52.700 7.443 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 691 54.008 9.403 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 691 54.160 9.513 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 691 51.578 9.680 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 691 52.756 11.014 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 691 49.498 11.023 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 691 50.493 11.991 -2.848 1.00 0.00 H new ATOM 0 HZ PHE A 691 48.975 12.217 -0.895 1.00 0.00 H new ATOM 164 N ALA A 692 52.038 8.056 -2.875 1.00 0.00 N ATOM 165 CA ALA A 692 50.960 8.105 -3.858 1.00 0.00 C ATOM 166 C ALA A 692 50.407 6.704 -4.124 1.00 0.00 C ATOM 167 O ALA A 692 49.305 6.558 -4.653 1.00 0.00 O ATOM 168 CB ALA A 692 51.475 8.711 -5.168 1.00 0.00 C ATOM 0 H ALA A 692 52.959 8.292 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 692 50.159 8.727 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 692 50.665 8.744 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 692 51.839 9.722 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 692 52.288 8.098 -5.557 1.00 0.00 H new ATOM 174 N GLU A 693 51.121 5.690 -3.640 1.00 0.00 N ATOM 175 CA GLU A 693 50.645 4.313 -3.733 1.00 0.00 C ATOM 176 C GLU A 693 49.425 4.098 -2.841 1.00 0.00 C ATOM 177 O GLU A 693 48.728 3.090 -2.965 1.00 0.00 O ATOM 178 CB GLU A 693 51.760 3.347 -3.318 1.00 0.00 C ATOM 179 CG GLU A 693 52.049 2.378 -4.467 1.00 0.00 C ATOM 180 CD GLU A 693 53.127 1.381 -4.052 1.00 0.00 C ATOM 181 OE1 GLU A 693 52.818 0.501 -3.265 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 54.213 1.449 -4.604 1.00 0.00 O ATOM 0 H GLU A 693 52.026 5.795 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 693 50.359 4.119 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 693 52.662 3.904 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 693 51.463 2.793 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 693 51.138 1.847 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 693 52.374 2.932 -5.347 1.00 0.00 H new ATOM 189 N ASP A 694 49.216 5.014 -1.897 1.00 0.00 N ATOM 190 CA ASP A 694 48.087 4.912 -0.979 1.00 0.00 C ATOM 191 C ASP A 694 46.764 5.008 -1.735 1.00 0.00 C ATOM 192 O ASP A 694 45.732 4.530 -1.259 1.00 0.00 O ATOM 193 CB ASP A 694 48.162 6.030 0.063 1.00 0.00 C ATOM 194 CG ASP A 694 47.284 5.685 1.263 1.00 0.00 C ATOM 195 OD1 ASP A 694 46.101 5.981 1.210 1.00 0.00 O ATOM 196 OD2 ASP A 694 47.775 5.013 2.156 1.00 0.00 O1- ATOM 0 H ASP A 694 49.810 5.830 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 694 48.136 3.943 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 694 49.194 6.169 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 694 47.836 6.972 -0.378 1.00 0.00 H new ATOM 201 N VAL A 695 46.825 5.521 -2.960 1.00 0.00 N ATOM 202 CA VAL A 695 45.667 5.503 -3.851 1.00 0.00 C ATOM 203 C VAL A 695 45.221 4.068 -4.121 1.00 0.00 C ATOM 204 O VAL A 695 44.028 3.767 -4.105 1.00 0.00 O ATOM 205 CB VAL A 695 46.019 6.190 -5.176 1.00 0.00 C ATOM 206 CG1 VAL A 695 44.840 6.074 -6.156 1.00 0.00 C ATOM 207 CG2 VAL A 695 46.323 7.670 -4.922 1.00 0.00 C ATOM 0 H VAL A 695 47.659 5.953 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 695 44.850 6.040 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 695 46.895 5.704 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 695 45.098 6.564 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 695 44.625 5.022 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 695 43.961 6.553 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 695 46.573 8.157 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 695 45.448 8.152 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 695 47.165 7.756 -4.235 1.00 0.00 H new ATOM 217 N GLY A 696 46.192 3.173 -4.279 1.00 0.00 N ATOM 218 CA GLY A 696 45.890 1.780 -4.592 1.00 0.00 C ATOM 219 C GLY A 696 45.224 1.662 -5.959 1.00 0.00 C ATOM 220 O GLY A 696 45.659 2.286 -6.927 1.00 0.00 O ATOM 0 H GLY A 696 47.186 3.385 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 696 46.808 1.193 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 696 45.234 1.365 -3.826 1.00 0.00 H new ATOM 224 N SER A 697 44.097 0.955 -5.999 1.00 0.00 N ATOM 225 CA SER A 697 43.328 0.821 -7.231 1.00 0.00 C ATOM 226 C SER A 697 42.012 0.098 -6.964 1.00 0.00 C ATOM 227 O SER A 697 40.945 0.560 -7.370 1.00 0.00 O ATOM 228 CB SER A 697 44.140 0.042 -8.273 1.00 0.00 C ATOM 229 OG SER A 697 44.616 0.937 -9.268 1.00 0.00 O ATOM 0 H SER A 697 43.698 0.469 -5.196 1.00 0.00 H new ATOM 0 HA SER A 697 43.111 1.819 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 697 44.978 -0.464 -7.793 1.00 0.00 H new ATOM 0 HB3 SER A 697 43.521 -0.730 -8.729 1.00 0.00 H new ATOM 0 HG SER A 697 45.108 1.669 -8.841 1.00 0.00 H new ATOM 235 N ASN A 698 42.100 -1.044 -6.286 1.00 0.00 N ATOM 236 CA ASN A 698 40.912 -1.822 -5.951 1.00 0.00 C ATOM 237 C ASN A 698 41.248 -2.887 -4.913 1.00 0.00 C ATOM 238 O ASN A 698 42.419 -3.173 -4.665 1.00 0.00 O ATOM 239 CB ASN A 698 40.352 -2.492 -7.213 1.00 0.00 C ATOM 240 CG ASN A 698 38.994 -1.891 -7.565 1.00 0.00 C ATOM 241 OD1 ASN A 698 38.855 -1.227 -8.591 1.00 0.00 O ATOM 242 ND2 ASN A 698 37.991 -2.045 -6.743 1.00 0.00 N ATOM 0 H ASN A 698 42.977 -1.449 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 698 40.162 -1.148 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.045 -2.357 -8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 698 40.253 -3.565 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.090 -1.614 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 698 38.108 -2.596 -5.893 1.00 0.00 H new ATOM 249 N LYS A 699 40.213 -3.544 -4.392 1.00 0.00 N ATOM 250 CA LYS A 699 40.407 -4.650 -3.454 1.00 0.00 C ATOM 251 C LYS A 699 41.368 -5.688 -4.032 1.00 0.00 C ATOM 252 O LYS A 699 42.402 -5.981 -3.431 1.00 0.00 O ATOM 253 CB LYS A 699 39.065 -5.317 -3.131 1.00 0.00 C ATOM 254 CG LYS A 699 38.092 -5.139 -4.303 1.00 0.00 C ATOM 255 CD LYS A 699 37.012 -6.227 -4.246 1.00 0.00 C ATOM 256 CE LYS A 699 37.280 -7.278 -5.327 1.00 0.00 C ATOM 257 NZ LYS A 699 38.637 -7.861 -5.133 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.237 -3.332 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 699 40.836 -4.244 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.216 -6.378 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 699 38.641 -4.880 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 699 37.631 -4.152 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.631 -5.197 -5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 699 37.007 -6.696 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 699 36.027 -5.783 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 699 36.526 -8.063 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 699 37.206 -6.824 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 38.608 -8.882 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 39.308 -7.403 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 38.944 -7.706 -4.152 1.00 0.00 H new ATOM 271 N GLY A 700 41.136 -6.062 -5.288 1.00 0.00 N ATOM 272 CA GLY A 700 41.967 -7.068 -5.942 1.00 0.00 C ATOM 273 C GLY A 700 43.370 -6.526 -6.201 1.00 0.00 C ATOM 274 O GLY A 700 44.344 -7.279 -6.213 1.00 0.00 O ATOM 0 H GLY A 700 40.386 -5.687 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.026 -7.959 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.509 -7.369 -6.884 1.00 0.00 H new ATOM 278 N ALA A 701 43.473 -5.201 -6.288 1.00 0.00 N ATOM 279 CA ALA A 701 44.773 -4.552 -6.431 1.00 0.00 C ATOM 280 C ALA A 701 45.631 -4.779 -5.190 1.00 0.00 C ATOM 281 O ALA A 701 46.787 -5.180 -5.299 1.00 0.00 O ATOM 282 CB ALA A 701 44.584 -3.051 -6.659 1.00 0.00 C ATOM 0 H ALA A 701 42.679 -4.561 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 701 45.282 -4.989 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.558 -2.574 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.001 -2.891 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.058 -2.617 -5.809 1.00 0.00 H new ATOM 288 N ILE A 702 45.007 -4.696 -4.018 1.00 0.00 N ATOM 289 CA ILE A 702 45.744 -4.790 -2.760 1.00 0.00 C ATOM 290 C ILE A 702 46.502 -6.113 -2.679 1.00 0.00 C ATOM 291 O ILE A 702 47.662 -6.146 -2.266 1.00 0.00 O ATOM 292 CB ILE A 702 44.781 -4.680 -1.570 1.00 0.00 C ATOM 293 CG1 ILE A 702 43.812 -3.503 -1.778 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.583 -4.468 -0.280 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.584 -2.244 -2.195 1.00 0.00 C ATOM 0 H ILE A 702 44.001 -4.565 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 702 46.459 -3.968 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 702 44.204 -5.602 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.079 -3.758 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.260 -3.311 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.899 -4.390 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.255 -5.313 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.166 -3.551 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.885 -1.420 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.300 -1.981 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.116 -2.435 -3.127 1.00 0.00 H new ATOM 307 N ILE A 703 45.925 -7.145 -3.290 1.00 0.00 N ATOM 308 CA ILE A 703 46.544 -8.465 -3.301 1.00 0.00 C ATOM 309 C ILE A 703 47.724 -8.491 -4.271 1.00 0.00 C ATOM 310 O ILE A 703 48.836 -8.855 -3.889 1.00 0.00 O ATOM 311 CB ILE A 703 45.503 -9.522 -3.702 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.653 -9.897 -2.479 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.207 -10.776 -4.234 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.863 -8.675 -1.999 1.00 0.00 C ATOM 0 H ILE A 703 45.033 -7.092 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 703 46.915 -8.691 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 703 44.862 -9.111 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.969 -10.706 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 703 45.295 -10.264 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.462 -11.520 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.806 -10.514 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.854 -11.186 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.262 -8.948 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.555 -7.879 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.209 -8.328 -2.799 1.00 0.00 H new ATOM 326 N GLY A 704 47.527 -7.891 -5.442 1.00 0.00 N ATOM 327 CA GLY A 704 48.561 -7.886 -6.472 1.00 0.00 C ATOM 328 C GLY A 704 49.673 -6.896 -6.127 1.00 0.00 C ATOM 329 O GLY A 704 50.853 -7.193 -6.314 1.00 0.00 O ATOM 0 H GLY A 704 46.668 -7.406 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 704 48.980 -8.887 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.120 -7.623 -7.434 1.00 0.00 H new ATOM 333 N LEU A 705 49.299 -5.816 -5.438 1.00 0.00 N ATOM 334 CA LEU A 705 50.273 -4.817 -4.998 1.00 0.00 C ATOM 335 C LEU A 705 51.225 -5.407 -3.960 1.00 0.00 C ATOM 336 O LEU A 705 52.386 -5.009 -3.882 1.00 0.00 O ATOM 337 CB LEU A 705 49.551 -3.606 -4.391 1.00 0.00 C ATOM 338 CG LEU A 705 48.764 -2.864 -5.477 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.781 -1.893 -4.817 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.725 -2.085 -6.379 1.00 0.00 C ATOM 0 H LEU A 705 48.335 -5.612 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 705 50.849 -4.502 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.875 -3.934 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.275 -2.933 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 705 48.216 -3.587 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.220 -1.364 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.091 -2.449 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.332 -1.174 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.158 -1.561 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.280 -1.362 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.422 -2.777 -6.851 1.00 0.00 H new ATOM 352 N MET A 706 50.762 -6.436 -3.251 1.00 0.00 N ATOM 353 CA MET A 706 51.581 -7.077 -2.225 1.00 0.00 C ATOM 354 C MET A 706 52.855 -7.656 -2.837 1.00 0.00 C ATOM 355 O MET A 706 53.922 -7.614 -2.222 1.00 0.00 O ATOM 356 CB MET A 706 50.789 -8.196 -1.545 1.00 0.00 C ATOM 357 CG MET A 706 51.539 -8.666 -0.296 1.00 0.00 C ATOM 358 SD MET A 706 51.755 -10.461 -0.357 1.00 0.00 S ATOM 359 CE MET A 706 52.990 -10.577 0.961 1.00 0.00 C ATOM 0 H MET A 706 49.833 -6.840 -3.367 1.00 0.00 H new ATOM 0 HA MET A 706 51.855 -6.324 -1.486 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.796 -7.839 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.651 -9.029 -2.234 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.510 -8.175 -0.236 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.985 -8.387 0.600 1.00 0.00 H new ATOM 0 HE1 MET A 706 53.277 -11.619 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 706 53.869 -9.992 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.569 -10.189 1.889 1.00 0.00 H new ATOM 369 N VAL A 707 52.759 -8.067 -4.099 1.00 0.00 N ATOM 370 CA VAL A 707 53.910 -8.618 -4.804 1.00 0.00 C ATOM 371 C VAL A 707 55.029 -7.583 -4.893 1.00 0.00 C ATOM 372 O VAL A 707 56.146 -7.828 -4.433 1.00 0.00 O ATOM 373 CB VAL A 707 53.498 -9.053 -6.215 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.714 -9.632 -6.948 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.396 -10.116 -6.129 1.00 0.00 C ATOM 0 H VAL A 707 51.902 -8.029 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 707 54.274 -9.483 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 707 53.121 -8.189 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.421 -9.941 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.493 -8.873 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.093 -10.494 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.106 -10.422 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.767 -10.981 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.530 -9.702 -5.612 1.00 0.00 H new ATOM 385 N GLY A 708 54.666 -6.373 -5.308 1.00 0.00 N ATOM 386 CA GLY A 708 55.635 -5.284 -5.412 1.00 0.00 C ATOM 387 C GLY A 708 55.820 -4.585 -4.069 1.00 0.00 C ATOM 388 O GLY A 708 56.718 -3.757 -3.913 1.00 0.00 O ATOM 0 H GLY A 708 53.715 -6.122 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.592 -5.676 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.299 -4.563 -6.157 1.00 0.00 H new ATOM 392 N GLY A 709 55.049 -5.016 -3.071 1.00 0.00 N ATOM 393 CA GLY A 709 55.075 -4.374 -1.761 1.00 0.00 C ATOM 394 C GLY A 709 56.227 -4.905 -0.914 1.00 0.00 C ATOM 395 O GLY A 709 56.361 -4.547 0.256 1.00 0.00 O ATOM 0 H GLY A 709 54.403 -5.802 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.176 -3.295 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.130 -4.550 -1.247 1.00 0.00 H new ATOM 399 N VAL A 710 57.129 -5.651 -1.551 1.00 0.00 N ATOM 400 CA VAL A 710 58.220 -6.302 -0.832 1.00 0.00 C ATOM 401 C VAL A 710 59.268 -5.277 -0.407 1.00 0.00 C ATOM 402 O VAL A 710 59.649 -5.221 0.763 1.00 0.00 O ATOM 403 CB VAL A 710 58.867 -7.374 -1.721 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.405 -6.732 -3.005 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.020 -8.045 -0.964 1.00 0.00 C ATOM 0 H VAL A 710 57.125 -5.818 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 710 57.813 -6.775 0.062 1.00 0.00 H new ATOM 0 HB VAL A 710 58.117 -8.122 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.863 -7.498 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.585 -6.262 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.150 -5.979 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.477 -8.805 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.766 -7.296 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.637 -8.511 -0.056 1.00 0.00 H new ATOM 415 N VAL A 711 59.591 -4.361 -1.315 1.00 0.00 N ATOM 416 CA VAL A 711 60.564 -3.313 -1.023 1.00 0.00 C ATOM 417 C VAL A 711 60.018 -2.362 0.037 1.00 0.00 C ATOM 418 O VAL A 711 60.655 -2.141 1.066 1.00 0.00 O ATOM 419 CB VAL A 711 60.892 -2.533 -2.303 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.579 -1.211 -1.946 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.825 -3.370 -3.185 1.00 0.00 C ATOM 0 H VAL A 711 59.196 -4.323 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 711 61.474 -3.777 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 711 59.968 -2.323 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.809 -0.662 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 711 60.915 -0.613 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.502 -1.416 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.059 -2.817 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.746 -3.582 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.334 -4.308 -3.446 1.00 0.00 H new ATOM 431 N ILE A 712 58.763 -1.958 -0.135 1.00 0.00 N ATOM 432 CA ILE A 712 58.132 -1.041 0.806 1.00 0.00 C ATOM 433 C ILE A 712 58.011 -1.686 2.182 1.00 0.00 C ATOM 434 O ILE A 712 58.330 -1.059 3.193 1.00 0.00 O ATOM 435 CB ILE A 712 56.742 -0.641 0.297 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.872 0.013 -1.084 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.104 0.350 1.277 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.499 0.080 -1.756 1.00 0.00 C ATOM 0 H ILE A 712 58.168 -2.249 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 712 58.754 -0.150 0.890 1.00 0.00 H new ATOM 0 HB ILE A 712 56.114 -1.528 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.288 1.016 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.563 -0.558 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.116 0.634 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.011 -0.117 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.731 1.238 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.596 0.545 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.100 -0.928 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.821 0.670 -1.140 1.00 0.00 H new ATOM 450 N ALA A 713 57.774 -2.996 2.193 1.00 0.00 N ATOM 451 CA ALA A 713 57.686 -3.736 3.448 1.00 0.00 C ATOM 452 C ALA A 713 59.001 -3.644 4.217 1.00 0.00 C ATOM 453 O ALA A 713 59.042 -3.055 5.297 1.00 0.00 O ATOM 454 CB ALA A 713 57.348 -5.203 3.172 1.00 0.00 C ATOM 0 H ALA A 713 57.641 -3.562 1.355 1.00 0.00 H new ATOM 0 HA ALA A 713 56.894 -3.294 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.285 -5.746 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.391 -5.265 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.127 -5.645 2.551 1.00 0.00 H new ATOM 460 N THR A 714 60.100 -3.953 3.531 1.00 0.00 N ATOM 461 CA THR A 714 61.416 -3.951 4.167 1.00 0.00 C ATOM 462 C THR A 714 61.777 -2.548 4.652 1.00 0.00 C ATOM 463 O THR A 714 62.213 -2.377 5.789 1.00 0.00 O ATOM 464 CB THR A 714 62.485 -4.443 3.182 1.00 0.00 C ATOM 465 OG1 THR A 714 62.621 -3.506 2.122 1.00 0.00 O ATOM 466 CG2 THR A 714 62.078 -5.807 2.612 1.00 0.00 C ATOM 0 H THR A 714 60.106 -4.206 2.543 1.00 0.00 H new ATOM 0 HA THR A 714 61.379 -4.624 5.024 1.00 0.00 H new ATOM 0 HB THR A 714 63.436 -4.542 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.762 -3.406 1.662 1.00 0.00 H new ATOM 0 HG21 THR A 714 62.840 -6.152 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 714 61.979 -6.526 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.125 -5.714 2.092 1.00 0.00 H new ATOM 474 N VAL A 715 61.382 -1.544 3.871 1.00 0.00 N ATOM 475 CA VAL A 715 61.654 -0.153 4.223 1.00 0.00 C ATOM 476 C VAL A 715 60.973 0.208 5.540 1.00 0.00 C ATOM 477 O VAL A 715 61.643 0.491 6.534 1.00 0.00 O ATOM 478 CB VAL A 715 61.145 0.775 3.111 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.423 2.234 3.486 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.855 0.441 1.793 1.00 0.00 C ATOM 0 H VAL A 715 60.875 -1.667 2.995 1.00 0.00 H new ATOM 0 HA VAL A 715 62.731 -0.029 4.337 1.00 0.00 H new ATOM 0 HB VAL A 715 60.071 0.632 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.060 2.889 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.911 2.474 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.496 2.379 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.491 1.102 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.930 0.578 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.650 -0.594 1.521 1.00 0.00 H new ATOM 490 N ILE A 716 59.663 -0.015 5.590 1.00 0.00 N ATOM 491 CA ILE A 716 58.874 0.319 6.771 1.00 0.00 C ATOM 492 C ILE A 716 59.278 -0.568 7.949 1.00 0.00 C ATOM 493 O ILE A 716 59.523 -0.070 9.049 1.00 0.00 O ATOM 494 CB ILE A 716 57.379 0.141 6.455 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.803 1.457 5.917 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.613 -0.262 7.721 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.556 1.878 4.650 1.00 0.00 C ATOM 0 H ILE A 716 59.126 -0.426 4.826 1.00 0.00 H new ATOM 0 HA ILE A 716 59.061 1.357 7.045 1.00 0.00 H new ATOM 0 HB ILE A 716 57.272 -0.643 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.742 1.336 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.885 2.236 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.556 -0.385 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.011 -1.202 8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.727 0.514 8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 716 57.141 2.813 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.612 2.017 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.451 1.103 3.890 1.00 0.00 H new ATOM 509 N VAL A 717 59.553 -1.836 7.653 1.00 0.00 N ATOM 510 CA VAL A 717 59.891 -2.805 8.691 1.00 0.00 C ATOM 511 C VAL A 717 61.225 -2.448 9.342 1.00 0.00 C ATOM 512 O VAL A 717 61.398 -2.604 10.551 1.00 0.00 O ATOM 513 CB VAL A 717 59.975 -4.210 8.080 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.551 -5.191 9.107 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.574 -4.674 7.664 1.00 0.00 C ATOM 0 H VAL A 717 59.548 -2.215 6.706 1.00 0.00 H new ATOM 0 HA VAL A 717 59.113 -2.785 9.454 1.00 0.00 H new ATOM 0 HB VAL A 717 60.625 -4.180 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.608 -6.187 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.549 -4.866 9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.906 -5.219 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.635 -5.672 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 717 57.924 -4.698 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.166 -3.982 6.927 1.00 0.00 H new ATOM 525 N ILE A 718 62.190 -2.054 8.515 1.00 0.00 N ATOM 526 CA ILE A 718 63.499 -1.652 9.015 1.00 0.00 C ATOM 527 C ILE A 718 63.373 -0.429 9.923 1.00 0.00 C ATOM 528 O ILE A 718 64.089 -0.312 10.918 1.00 0.00 O ATOM 529 CB ILE A 718 64.430 -1.334 7.836 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.885 -2.644 7.179 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.657 -0.561 8.334 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.442 -2.354 5.781 1.00 0.00 C ATOM 0 H ILE A 718 62.090 -2.005 7.501 1.00 0.00 H new ATOM 0 HA ILE A 718 63.919 -2.474 9.595 1.00 0.00 H new ATOM 0 HB ILE A 718 63.893 -0.725 7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.647 -3.124 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.047 -3.338 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.313 -0.339 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.336 0.371 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.196 -1.165 9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.764 -3.286 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.667 -1.893 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.292 -1.676 5.861 1.00 0.00 H new ATOM 544 N THR A 719 62.367 0.400 9.655 1.00 0.00 N ATOM 545 CA THR A 719 62.089 1.553 10.505 1.00 0.00 C ATOM 546 C THR A 719 61.493 1.106 11.835 1.00 0.00 C ATOM 547 O THR A 719 61.854 1.625 12.892 1.00 0.00 O ATOM 548 CB THR A 719 61.115 2.505 9.803 1.00 0.00 C ATOM 549 OG1 THR A 719 61.251 2.377 8.395 1.00 0.00 O ATOM 550 CG2 THR A 719 61.423 3.948 10.214 1.00 0.00 C ATOM 0 H THR A 719 61.735 0.296 8.861 1.00 0.00 H new ATOM 0 HA THR A 719 63.029 2.072 10.694 1.00 0.00 H new ATOM 0 HB THR A 719 60.095 2.253 10.093 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.626 2.986 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.730 4.625 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.314 4.050 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.444 4.198 9.927 1.00 0.00 H new ATOM 558 N LEU A 720 60.694 0.042 11.785 1.00 0.00 N ATOM 559 CA LEU A 720 60.022 -0.458 12.979 1.00 0.00 C ATOM 560 C LEU A 720 61.041 -0.985 13.985 1.00 0.00 C ATOM 561 O LEU A 720 60.848 -0.865 15.196 1.00 0.00 O ATOM 562 CB LEU A 720 59.051 -1.585 12.596 1.00 0.00 C ATOM 563 CG LEU A 720 57.600 -1.085 12.660 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.229 -0.741 14.108 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.435 0.158 11.774 1.00 0.00 C ATOM 0 H LEU A 720 60.498 -0.487 10.935 1.00 0.00 H new ATOM 0 HA LEU A 720 59.468 0.363 13.435 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.276 -1.942 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.181 -2.431 13.271 1.00 0.00 H new ATOM 0 HG LEU A 720 56.938 -1.872 12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.199 -0.387 14.145 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.330 -1.630 14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.894 0.039 14.479 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.403 0.507 11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.102 0.946 12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.682 -0.095 10.743 1.00 0.00 H new ATOM 577 N VAL A 721 62.154 -1.508 13.473 1.00 0.00 N ATOM 578 CA VAL A 721 63.247 -1.952 14.333 1.00 0.00 C ATOM 579 C VAL A 721 63.796 -0.783 15.147 1.00 0.00 C ATOM 580 O VAL A 721 63.964 -0.894 16.362 1.00 0.00 O ATOM 581 CB VAL A 721 64.370 -2.563 13.482 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.598 -2.825 14.362 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.891 -3.884 12.869 1.00 0.00 C ATOM 0 H VAL A 721 62.321 -1.634 12.475 1.00 0.00 H new ATOM 0 HA VAL A 721 62.862 -2.707 15.018 1.00 0.00 H new ATOM 0 HB VAL A 721 64.636 -1.868 12.685 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.394 -3.259 13.756 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.942 -1.886 14.795 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.332 -3.517 15.161 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.689 -4.316 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.622 -4.578 13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.020 -3.699 12.240 1.00 0.00 H new ATOM 593 N MET A 722 63.863 0.385 14.515 1.00 0.00 N ATOM 594 CA MET A 722 64.474 1.551 15.146 1.00 0.00 C ATOM 595 C MET A 722 63.530 2.157 16.181 1.00 0.00 C ATOM 596 O MET A 722 63.975 2.692 17.198 1.00 0.00 O ATOM 597 CB MET A 722 64.814 2.602 14.086 1.00 0.00 C ATOM 598 CG MET A 722 65.790 2.009 13.066 1.00 0.00 C ATOM 599 SD MET A 722 67.338 1.571 13.896 1.00 0.00 S ATOM 600 CE MET A 722 68.440 2.613 12.908 1.00 0.00 C ATOM 0 H MET A 722 63.505 0.549 13.574 1.00 0.00 H new ATOM 0 HA MET A 722 65.388 1.232 15.647 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.905 2.933 13.584 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.255 3.480 14.558 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.353 1.126 12.599 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.983 2.728 12.270 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.465 2.493 13.259 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.378 2.317 11.861 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.141 3.656 13.009 1.00 0.00 H new ATOM 610 N LEU A 723 62.226 1.979 15.962 1.00 0.00 N ATOM 611 CA LEU A 723 61.221 2.476 16.900 1.00 0.00 C ATOM 612 C LEU A 723 61.340 1.768 18.246 1.00 0.00 C ATOM 613 O LEU A 723 60.812 2.246 19.249 1.00 0.00 O ATOM 614 CB LEU A 723 59.814 2.254 16.336 1.00 0.00 C ATOM 615 CG LEU A 723 59.583 3.177 15.133 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.211 2.881 14.525 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.638 4.639 15.583 1.00 0.00 C ATOM 0 H LEU A 723 61.844 1.497 15.148 1.00 0.00 H new ATOM 0 HA LEU A 723 61.393 3.543 17.043 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.693 1.213 16.036 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.068 2.452 17.106 1.00 0.00 H new ATOM 0 HG LEU A 723 60.360 3.002 14.389 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.043 3.535 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.174 1.841 14.199 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.437 3.055 15.272 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.473 5.290 14.725 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.864 4.819 16.329 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.616 4.850 16.016 1.00 0.00 H new ATOM 629 N LYS A 724 61.897 0.555 18.223 1.00 0.00 N ATOM 630 CA LYS A 724 62.056 -0.237 19.443 1.00 0.00 C ATOM 631 C LYS A 724 60.705 -0.763 19.928 1.00 0.00 C ATOM 632 O LYS A 724 59.653 -0.283 19.501 1.00 0.00 O ATOM 633 CB LYS A 724 62.707 0.610 20.546 1.00 0.00 C ATOM 634 CG LYS A 724 63.534 -0.290 21.476 1.00 0.00 C ATOM 635 CD LYS A 724 63.621 0.345 22.869 1.00 0.00 C ATOM 636 CE LYS A 724 64.251 1.738 22.765 1.00 0.00 C ATOM 637 NZ LYS A 724 64.917 2.086 24.053 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.244 0.102 17.377 1.00 0.00 H new ATOM 0 HA LYS A 724 62.700 -1.086 19.214 1.00 0.00 H new ATOM 0 HB2 LYS A 724 63.346 1.373 20.101 1.00 0.00 H new ATOM 0 HB3 LYS A 724 61.939 1.131 21.118 1.00 0.00 H new ATOM 0 HG2 LYS A 724 63.076 -1.277 21.544 1.00 0.00 H new ATOM 0 HG3 LYS A 724 64.535 -0.430 21.067 1.00 0.00 H new ATOM 0 HD2 LYS A 724 62.626 0.417 23.309 1.00 0.00 H new ATOM 0 HD3 LYS A 724 64.216 -0.285 23.530 1.00 0.00 H new ATOM 0 HE2 LYS A 724 64.977 1.760 21.952 1.00 0.00 H new ATOM 0 HE3 LYS A 724 63.485 2.477 22.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 65.343 3.032 23.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 64.214 2.082 24.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 65.659 1.387 24.260 1.00 0.00 H new ATOM 651 N LYS A 725 60.744 -1.861 20.679 1.00 0.00 N ATOM 652 CA LYS A 725 59.533 -2.421 21.273 1.00 0.00 C ATOM 653 C LYS A 725 59.854 -3.092 22.606 1.00 0.00 C ATOM 654 O LYS A 725 59.563 -2.545 23.671 1.00 0.00 O ATOM 655 CB LYS A 725 58.905 -3.439 20.311 1.00 0.00 C ATOM 656 CG LYS A 725 57.790 -4.215 21.024 1.00 0.00 C ATOM 657 CD LYS A 725 56.824 -4.800 19.985 1.00 0.00 C ATOM 658 CE LYS A 725 55.828 -5.756 20.659 1.00 0.00 C ATOM 659 NZ LYS A 725 56.033 -5.760 22.136 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.597 -2.379 20.890 1.00 0.00 H new ATOM 0 HA LYS A 725 58.824 -1.612 21.453 1.00 0.00 H new ATOM 0 HB2 LYS A 725 58.502 -2.926 19.438 1.00 0.00 H new ATOM 0 HB3 LYS A 725 59.667 -4.130 19.951 1.00 0.00 H new ATOM 0 HG2 LYS A 725 58.219 -5.015 21.628 1.00 0.00 H new ATOM 0 HG3 LYS A 725 57.252 -3.555 21.705 1.00 0.00 H new ATOM 0 HD2 LYS A 725 56.285 -3.995 19.487 1.00 0.00 H new ATOM 0 HD3 LYS A 725 57.385 -5.332 19.216 1.00 0.00 H new ATOM 0 HE2 LYS A 725 54.807 -5.451 20.428 1.00 0.00 H new ATOM 0 HE3 LYS A 725 55.957 -6.764 20.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 55.290 -6.330 22.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 56.964 -6.168 22.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 55.988 -4.785 22.495 1.00 0.00 H new ATOM 673 N LYS A 726 60.522 -4.241 22.540 1.00 0.00 N ATOM 674 CA LYS A 726 60.810 -5.021 23.739 1.00 0.00 C ATOM 675 C LYS A 726 61.849 -6.097 23.438 1.00 0.00 C ATOM 676 O LYS A 726 61.552 -7.075 22.750 1.00 0.00 O ATOM 677 CB LYS A 726 59.524 -5.673 24.263 1.00 0.00 C ATOM 678 CG LYS A 726 59.736 -6.147 25.706 1.00 0.00 C ATOM 679 CD LYS A 726 59.073 -7.514 25.898 1.00 0.00 C ATOM 680 CE LYS A 726 59.147 -7.921 27.372 1.00 0.00 C ATOM 681 NZ LYS A 726 59.634 -9.325 27.475 1.00 0.00 N1+ ATOM 0 H LYS A 726 60.872 -4.650 21.674 1.00 0.00 H new ATOM 0 HA LYS A 726 61.209 -4.351 24.501 1.00 0.00 H new ATOM 0 HB2 LYS A 726 58.700 -4.960 24.221 1.00 0.00 H new ATOM 0 HB3 LYS A 726 59.248 -6.516 23.630 1.00 0.00 H new ATOM 0 HG2 LYS A 726 60.802 -6.214 25.925 1.00 0.00 H new ATOM 0 HG3 LYS A 726 59.312 -5.424 26.403 1.00 0.00 H new ATOM 0 HD2 LYS A 726 58.033 -7.473 25.574 1.00 0.00 H new ATOM 0 HD3 LYS A 726 59.571 -8.261 25.279 1.00 0.00 H new ATOM 0 HE2 LYS A 726 59.817 -7.252 27.912 1.00 0.00 H new ATOM 0 HE3 LYS A 726 58.164 -7.831 27.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 59.685 -9.602 28.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 58.978 -9.958 26.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 60.579 -9.397 27.048 1.00 0.00 H new ATOM 695 N GLN A 727 63.104 -5.790 23.751 1.00 0.00 N ATOM 696 CA GLN A 727 64.200 -6.723 23.503 1.00 0.00 C ATOM 697 C GLN A 727 65.465 -6.265 24.228 1.00 0.00 C ATOM 698 O GLN A 727 65.537 -6.330 25.456 1.00 0.00 O ATOM 699 CB GLN A 727 64.465 -6.841 21.994 1.00 0.00 C ATOM 700 CG GLN A 727 64.306 -5.469 21.323 1.00 0.00 C ATOM 701 CD GLN A 727 65.214 -5.375 20.101 1.00 0.00 C ATOM 702 OE1 GLN A 727 64.732 -5.225 18.977 1.00 0.00 O ATOM 703 NE2 GLN A 727 66.508 -5.445 20.252 1.00 0.00 N ATOM 0 H GLN A 727 63.388 -4.907 24.175 1.00 0.00 H new ATOM 0 HA GLN A 727 63.916 -7.703 23.887 1.00 0.00 H new ATOM 0 HB2 GLN A 727 65.471 -7.224 21.822 1.00 0.00 H new ATOM 0 HB3 GLN A 727 63.771 -7.555 21.550 1.00 0.00 H new ATOM 0 HG2 GLN A 727 63.268 -5.318 21.027 1.00 0.00 H new ATOM 0 HG3 GLN A 727 64.553 -4.678 22.031 1.00 0.00 H new ATOM 0 HE21 GLN A 727 66.907 -5.569 21.183 1.00 0.00 H new ATOM 0 HE22 GLN A 727 67.121 -5.376 19.440 1.00 0.00 H new ATOM 712 N TYR A 728 66.397 -5.674 23.481 1.00 0.00 N ATOM 713 CA TYR A 728 67.664 -5.230 24.053 1.00 0.00 C ATOM 714 C TYR A 728 67.648 -3.721 24.279 1.00 0.00 C ATOM 715 O TYR A 728 67.405 -3.254 25.391 1.00 0.00 O ATOM 716 CB TYR A 728 68.817 -5.598 23.112 1.00 0.00 C ATOM 717 CG TYR A 728 69.856 -6.392 23.870 1.00 0.00 C ATOM 718 CD1 TYR A 728 69.691 -7.773 24.039 1.00 0.00 C ATOM 719 CD2 TYR A 728 70.913 -5.731 24.509 1.00 0.00 C ATOM 720 CE1 TYR A 728 70.608 -8.497 24.810 1.00 0.00 C ATOM 721 CE2 TYR A 728 71.849 -6.461 25.248 1.00 0.00 C ATOM 722 CZ TYR A 728 71.704 -7.846 25.390 1.00 0.00 C ATOM 723 OH TYR A 728 72.638 -8.570 26.102 1.00 0.00 O ATOM 0 H TYR A 728 66.298 -5.493 22.482 1.00 0.00 H new ATOM 0 HA TYR A 728 67.806 -5.727 25.012 1.00 0.00 H new ATOM 0 HB2 TYR A 728 68.442 -6.181 22.271 1.00 0.00 H new ATOM 0 HB3 TYR A 728 69.265 -4.694 22.699 1.00 0.00 H new ATOM 0 HD1 TYR A 728 68.857 -8.279 23.575 1.00 0.00 H new ATOM 0 HD2 TYR A 728 71.005 -4.658 24.431 1.00 0.00 H new ATOM 0 HE1 TYR A 728 70.470 -9.558 24.958 1.00 0.00 H new ATOM 0 HE2 TYR A 728 72.685 -5.956 25.710 1.00 0.00 H new ATOM 0 HH TYR A 728 73.334 -7.967 26.437 1.00 0.00 H new TER 733 TYR A 728