USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=4 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= -0.0188 X(o=-0.019,f=-0.0091) USER MOD Single : A 685 HIS : no HD1:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 33:sc= 0.709 USER MOD Single : A 698 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot -8:sc= 0.713 USER MOD Single : A 719 THR OG1 : rot 104:sc= 1.25 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 53.662 2.183 -23.308 1.00 0.00 N ATOM 2 CA VAL A 683 54.097 1.494 -24.520 1.00 0.00 C ATOM 3 C VAL A 683 55.577 1.761 -24.788 1.00 0.00 C ATOM 4 O VAL A 683 56.298 0.878 -25.257 1.00 0.00 O ATOM 5 CB VAL A 683 53.255 1.959 -25.717 1.00 0.00 C ATOM 6 CG1 VAL A 683 53.491 3.452 -25.971 1.00 0.00 C ATOM 7 CG2 VAL A 683 53.645 1.158 -26.965 1.00 0.00 C ATOM 0 HA VAL A 683 53.959 0.422 -24.379 1.00 0.00 H new ATOM 0 HB VAL A 683 52.200 1.795 -25.496 1.00 0.00 H new ATOM 0 HG11 VAL A 683 52.891 3.776 -26.821 1.00 0.00 H new ATOM 0 HG12 VAL A 683 53.204 4.021 -25.087 1.00 0.00 H new ATOM 0 HG13 VAL A 683 54.546 3.622 -26.186 1.00 0.00 H new ATOM 0 HG21 VAL A 683 53.046 1.490 -27.813 1.00 0.00 H new ATOM 0 HG22 VAL A 683 54.701 1.316 -27.183 1.00 0.00 H new ATOM 0 HG23 VAL A 683 53.466 0.098 -26.787 1.00 0.00 H new ATOM 16 N HIS A 684 56.052 2.919 -24.336 1.00 0.00 N ATOM 17 CA HIS A 684 57.459 3.275 -24.495 1.00 0.00 C ATOM 18 C HIS A 684 58.304 2.626 -23.402 1.00 0.00 C ATOM 19 O HIS A 684 57.787 2.249 -22.350 1.00 0.00 O ATOM 20 CB HIS A 684 57.620 4.797 -24.434 1.00 0.00 C ATOM 21 CG HIS A 684 57.715 5.351 -25.829 1.00 0.00 C ATOM 22 ND1 HIS A 684 56.688 6.082 -26.406 1.00 0.00 N ATOM 23 CD2 HIS A 684 58.651 5.180 -26.820 1.00 0.00 C ATOM 24 CE1 HIS A 684 57.108 6.471 -27.622 1.00 0.00 C ATOM 25 NE2 HIS A 684 58.253 5.873 -27.961 1.00 0.00 N ATOM 0 H HIS A 684 55.487 3.623 -23.860 1.00 0.00 H new ATOM 0 HA HIS A 684 57.801 2.911 -25.464 1.00 0.00 H new ATOM 0 HB2 HIS A 684 56.773 5.242 -23.912 1.00 0.00 H new ATOM 0 HB3 HIS A 684 58.515 5.056 -23.867 1.00 0.00 H new ATOM 0 HD2 HIS A 684 59.556 4.598 -26.729 1.00 0.00 H new ATOM 0 HE1 HIS A 684 56.585 7.179 -28.247 1.00 0.00 H new ATOM 0 HE2 HIS A 684 58.732 5.915 -28.860 1.00 0.00 H new ATOM 33 N HIS A 685 59.619 2.613 -23.611 1.00 0.00 N ATOM 34 CA HIS A 685 60.535 2.042 -22.627 1.00 0.00 C ATOM 35 C HIS A 685 60.903 3.085 -21.575 1.00 0.00 C ATOM 36 O HIS A 685 61.929 3.757 -21.689 1.00 0.00 O ATOM 37 CB HIS A 685 61.804 1.538 -23.324 1.00 0.00 C ATOM 38 CG HIS A 685 61.519 0.231 -24.016 1.00 0.00 C ATOM 39 ND1 HIS A 685 62.531 -0.597 -24.476 1.00 0.00 N ATOM 40 CD2 HIS A 685 60.344 -0.366 -24.406 1.00 0.00 C ATOM 41 CE1 HIS A 685 61.951 -1.690 -25.003 1.00 0.00 C ATOM 42 NE2 HIS A 685 60.619 -1.597 -24.996 1.00 0.00 N ATOM 0 H HIS A 685 60.071 2.988 -24.445 1.00 0.00 H new ATOM 0 HA HIS A 685 60.039 1.206 -22.134 1.00 0.00 H new ATOM 0 HB2 HIS A 685 62.150 2.276 -24.048 1.00 0.00 H new ATOM 0 HB3 HIS A 685 62.604 1.408 -22.595 1.00 0.00 H new ATOM 0 HD2 HIS A 685 59.358 0.055 -24.275 1.00 0.00 H new ATOM 0 HE1 HIS A 685 62.497 -2.540 -25.386 1.00 0.00 H new ATOM 0 HE2 HIS A 685 59.948 -2.280 -25.347 1.00 0.00 H new ATOM 50 N GLN A 686 59.961 3.354 -20.673 1.00 0.00 N ATOM 51 CA GLN A 686 60.173 4.345 -19.618 1.00 0.00 C ATOM 52 C GLN A 686 60.376 3.656 -18.272 1.00 0.00 C ATOM 53 O GLN A 686 59.696 2.677 -17.963 1.00 0.00 O ATOM 54 CB GLN A 686 58.975 5.303 -19.527 1.00 0.00 C ATOM 55 CG GLN A 686 57.857 4.844 -20.470 1.00 0.00 C ATOM 56 CD GLN A 686 56.655 5.775 -20.349 1.00 0.00 C ATOM 57 OE1 GLN A 686 56.804 6.996 -20.416 1.00 0.00 O ATOM 58 NE2 GLN A 686 55.460 5.269 -20.215 1.00 0.00 N ATOM 0 H GLN A 686 59.047 2.902 -20.651 1.00 0.00 H new ATOM 0 HA GLN A 686 61.067 4.916 -19.867 1.00 0.00 H new ATOM 0 HB2 GLN A 686 58.605 5.338 -18.502 1.00 0.00 H new ATOM 0 HB3 GLN A 686 59.288 6.314 -19.787 1.00 0.00 H new ATOM 0 HG2 GLN A 686 58.218 4.836 -21.498 1.00 0.00 H new ATOM 0 HG3 GLN A 686 57.562 3.823 -20.227 1.00 0.00 H new ATOM 0 HE21 GLN A 686 55.338 4.258 -20.160 1.00 0.00 H new ATOM 0 HE22 GLN A 686 54.648 5.885 -20.166 1.00 0.00 H new ATOM 67 N LYS A 687 61.147 4.304 -17.403 1.00 0.00 N ATOM 68 CA LYS A 687 61.439 3.752 -16.083 1.00 0.00 C ATOM 69 C LYS A 687 60.495 4.344 -15.037 1.00 0.00 C ATOM 70 O LYS A 687 59.423 4.845 -15.379 1.00 0.00 O ATOM 71 CB LYS A 687 62.891 4.058 -15.704 1.00 0.00 C ATOM 72 CG LYS A 687 63.831 3.466 -16.760 1.00 0.00 C ATOM 73 CD LYS A 687 65.285 3.753 -16.378 1.00 0.00 C ATOM 74 CE LYS A 687 66.212 3.319 -17.518 1.00 0.00 C ATOM 75 NZ LYS A 687 66.774 4.524 -18.193 1.00 0.00 N1+ ATOM 0 H LYS A 687 61.580 5.209 -17.588 1.00 0.00 H new ATOM 0 HA LYS A 687 61.293 2.672 -16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 687 63.040 5.135 -15.632 1.00 0.00 H new ATOM 0 HB3 LYS A 687 63.118 3.639 -14.724 1.00 0.00 H new ATOM 0 HG2 LYS A 687 63.672 2.391 -16.840 1.00 0.00 H new ATOM 0 HG3 LYS A 687 63.611 3.895 -17.738 1.00 0.00 H new ATOM 0 HD2 LYS A 687 65.415 4.816 -16.175 1.00 0.00 H new ATOM 0 HD3 LYS A 687 65.543 3.220 -15.463 1.00 0.00 H new ATOM 0 HE2 LYS A 687 67.019 2.699 -17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 687 65.662 2.711 -18.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 67.403 4.227 -18.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 65.998 5.099 -18.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 67.313 5.087 -17.505 1.00 0.00 H new ATOM 89 N LEU A 688 60.807 4.100 -13.762 1.00 0.00 N ATOM 90 CA LEU A 688 59.997 4.620 -12.659 1.00 0.00 C ATOM 91 C LEU A 688 58.672 3.865 -12.554 1.00 0.00 C ATOM 92 O LEU A 688 58.051 3.845 -11.490 1.00 0.00 O ATOM 93 CB LEU A 688 59.722 6.121 -12.855 1.00 0.00 C ATOM 94 CG LEU A 688 60.309 6.926 -11.686 1.00 0.00 C ATOM 95 CD1 LEU A 688 59.653 6.490 -10.370 1.00 0.00 C ATOM 96 CD2 LEU A 688 61.824 6.701 -11.607 1.00 0.00 C ATOM 0 H LEU A 688 61.612 3.547 -13.469 1.00 0.00 H new ATOM 0 HA LEU A 688 60.557 4.476 -11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 688 60.160 6.459 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 688 58.648 6.295 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 688 60.112 7.985 -11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 688 60.074 7.065 -9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 688 58.579 6.666 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 688 59.839 5.429 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 688 62.234 7.275 -10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 688 62.027 5.641 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 688 62.289 7.027 -12.537 1.00 0.00 H new ATOM 108 N VAL A 689 58.359 3.082 -13.585 1.00 0.00 N ATOM 109 CA VAL A 689 57.119 2.311 -13.608 1.00 0.00 C ATOM 110 C VAL A 689 57.170 1.185 -12.577 1.00 0.00 C ATOM 111 O VAL A 689 56.131 0.673 -12.155 1.00 0.00 O ATOM 112 CB VAL A 689 56.898 1.725 -15.009 1.00 0.00 C ATOM 113 CG1 VAL A 689 58.043 0.764 -15.355 1.00 0.00 C ATOM 114 CG2 VAL A 689 55.565 0.971 -15.054 1.00 0.00 C ATOM 0 H VAL A 689 58.945 2.965 -14.412 1.00 0.00 H new ATOM 0 HA VAL A 689 56.291 2.974 -13.359 1.00 0.00 H new ATOM 0 HB VAL A 689 56.876 2.538 -15.735 1.00 0.00 H new ATOM 0 HG11 VAL A 689 57.882 0.350 -16.350 1.00 0.00 H new ATOM 0 HG12 VAL A 689 58.990 1.304 -15.335 1.00 0.00 H new ATOM 0 HG13 VAL A 689 58.071 -0.046 -14.626 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.414 0.558 -16.051 1.00 0.00 H new ATOM 0 HG22 VAL A 689 55.580 0.162 -14.324 1.00 0.00 H new ATOM 0 HG23 VAL A 689 54.751 1.657 -14.819 1.00 0.00 H new ATOM 124 N PHE A 690 58.368 0.926 -12.058 1.00 0.00 N ATOM 125 CA PHE A 690 58.541 -0.066 -11.002 1.00 0.00 C ATOM 126 C PHE A 690 57.816 0.367 -9.732 1.00 0.00 C ATOM 127 O PHE A 690 56.805 -0.226 -9.356 1.00 0.00 O ATOM 128 CB PHE A 690 60.033 -0.251 -10.706 1.00 0.00 C ATOM 129 CG PHE A 690 60.668 -1.071 -11.807 1.00 0.00 C ATOM 130 CD1 PHE A 690 60.622 -2.469 -11.747 1.00 0.00 C ATOM 131 CD2 PHE A 690 61.152 -0.436 -12.957 1.00 0.00 C ATOM 132 CE1 PHE A 690 61.103 -3.230 -12.820 1.00 0.00 C ATOM 133 CE2 PHE A 690 61.677 -1.196 -14.009 1.00 0.00 C ATOM 134 CZ PHE A 690 61.662 -2.594 -13.935 1.00 0.00 C ATOM 0 H PHE A 690 59.229 1.387 -12.351 1.00 0.00 H new ATOM 0 HA PHE A 690 58.115 -1.011 -11.341 1.00 0.00 H new ATOM 0 HB2 PHE A 690 60.523 0.720 -10.632 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.165 -0.748 -9.745 1.00 0.00 H new ATOM 0 HD1 PHE A 690 60.216 -2.960 -10.875 1.00 0.00 H new ATOM 0 HD2 PHE A 690 61.120 0.641 -13.033 1.00 0.00 H new ATOM 0 HE1 PHE A 690 61.043 -4.308 -12.787 1.00 0.00 H new ATOM 0 HE2 PHE A 690 62.093 -0.705 -14.876 1.00 0.00 H new ATOM 0 HZ PHE A 690 62.082 -3.182 -14.738 1.00 0.00 H new ATOM 144 N PHE A 691 58.225 1.511 -9.188 1.00 0.00 N ATOM 145 CA PHE A 691 57.649 2.005 -7.942 1.00 0.00 C ATOM 146 C PHE A 691 56.227 2.506 -8.170 1.00 0.00 C ATOM 147 O PHE A 691 55.358 2.333 -7.318 1.00 0.00 O ATOM 148 CB PHE A 691 58.507 3.141 -7.381 1.00 0.00 C ATOM 149 CG PHE A 691 58.141 3.383 -5.934 1.00 0.00 C ATOM 150 CD1 PHE A 691 58.757 2.628 -4.927 1.00 0.00 C ATOM 151 CD2 PHE A 691 57.047 4.200 -5.620 1.00 0.00 C ATOM 152 CE1 PHE A 691 58.350 2.775 -3.595 1.00 0.00 C ATOM 153 CE2 PHE A 691 56.629 4.332 -4.291 1.00 0.00 C ATOM 154 CZ PHE A 691 57.250 3.584 -3.285 1.00 0.00 C ATOM 0 H PHE A 691 58.948 2.109 -9.588 1.00 0.00 H new ATOM 0 HA PHE A 691 57.623 1.183 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 691 59.564 2.887 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.352 4.049 -7.963 1.00 0.00 H new ATOM 0 HD1 PHE A 691 59.545 1.933 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 691 56.526 4.728 -6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 691 58.884 2.265 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 691 55.827 5.011 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 691 56.882 3.630 -2.271 1.00 0.00 H new ATOM 164 N ALA A 692 55.978 3.050 -9.358 1.00 0.00 N ATOM 165 CA ALA A 692 54.673 3.624 -9.668 1.00 0.00 C ATOM 166 C ALA A 692 53.593 2.542 -9.667 1.00 0.00 C ATOM 167 O ALA A 692 52.412 2.836 -9.478 1.00 0.00 O ATOM 168 CB ALA A 692 54.717 4.308 -11.040 1.00 0.00 C ATOM 0 H ALA A 692 56.658 3.105 -10.117 1.00 0.00 H new ATOM 0 HA ALA A 692 54.429 4.360 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 692 53.740 4.734 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.465 5.101 -11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.978 3.575 -11.804 1.00 0.00 H new ATOM 174 N GLU A 693 54.027 1.284 -9.727 1.00 0.00 N ATOM 175 CA GLU A 693 53.103 0.156 -9.645 1.00 0.00 C ATOM 176 C GLU A 693 52.604 -0.031 -8.214 1.00 0.00 C ATOM 177 O GLU A 693 51.515 -0.563 -7.992 1.00 0.00 O ATOM 178 CB GLU A 693 53.805 -1.125 -10.115 1.00 0.00 C ATOM 179 CG GLU A 693 52.874 -1.917 -11.039 1.00 0.00 C ATOM 180 CD GLU A 693 51.642 -2.389 -10.270 1.00 0.00 C ATOM 181 OE1 GLU A 693 51.787 -3.289 -9.457 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 50.598 -1.779 -10.431 1.00 0.00 O ATOM 0 H GLU A 693 55.007 1.022 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 693 52.248 0.363 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 693 54.727 -0.874 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 693 54.084 -1.734 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 693 52.570 -1.295 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 693 53.404 -2.775 -11.452 1.00 0.00 H new ATOM 189 N ASP A 694 53.400 0.422 -7.248 1.00 0.00 N ATOM 190 CA ASP A 694 53.064 0.240 -5.838 1.00 0.00 C ATOM 191 C ASP A 694 51.854 1.092 -5.457 1.00 0.00 C ATOM 192 O ASP A 694 51.426 1.091 -4.301 1.00 0.00 O ATOM 193 CB ASP A 694 54.273 0.609 -4.961 1.00 0.00 C ATOM 194 CG ASP A 694 54.107 2.010 -4.370 1.00 0.00 C ATOM 195 OD1 ASP A 694 53.966 2.947 -5.139 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 54.176 2.129 -3.159 1.00 0.00 O ATOM 0 H ASP A 694 54.277 0.915 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 694 52.810 -0.807 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 694 54.381 -0.119 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 694 55.186 0.566 -5.555 1.00 0.00 H new ATOM 201 N VAL A 695 51.439 1.957 -6.374 1.00 0.00 N ATOM 202 CA VAL A 695 50.215 2.724 -6.187 1.00 0.00 C ATOM 203 C VAL A 695 49.007 1.796 -6.109 1.00 0.00 C ATOM 204 O VAL A 695 48.140 1.963 -5.251 1.00 0.00 O ATOM 205 CB VAL A 695 50.034 3.704 -7.348 1.00 0.00 C ATOM 206 CG1 VAL A 695 48.698 4.442 -7.193 1.00 0.00 C ATOM 207 CG2 VAL A 695 51.182 4.721 -7.344 1.00 0.00 C ATOM 0 H VAL A 695 51.929 2.144 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 695 50.293 3.277 -5.251 1.00 0.00 H new ATOM 0 HB VAL A 695 50.038 3.154 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 695 48.570 5.140 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 695 47.881 3.720 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 695 48.693 4.991 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 695 51.053 5.419 -8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 695 51.179 5.270 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 695 52.132 4.198 -7.456 1.00 0.00 H new ATOM 217 N GLY A 696 48.990 0.781 -6.971 1.00 0.00 N ATOM 218 CA GLY A 696 47.822 -0.085 -7.095 1.00 0.00 C ATOM 219 C GLY A 696 46.627 0.680 -7.663 1.00 0.00 C ATOM 220 O GLY A 696 46.797 1.637 -8.420 1.00 0.00 O ATOM 0 H GLY A 696 49.765 0.540 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 696 48.059 -0.929 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.564 -0.495 -6.119 1.00 0.00 H new ATOM 224 N SER A 697 45.425 0.291 -7.240 1.00 0.00 N ATOM 225 CA SER A 697 44.197 0.783 -7.866 1.00 0.00 C ATOM 226 C SER A 697 42.982 0.421 -7.015 1.00 0.00 C ATOM 227 O SER A 697 42.685 1.098 -6.029 1.00 0.00 O ATOM 228 CB SER A 697 44.041 0.181 -9.268 1.00 0.00 C ATOM 229 OG SER A 697 44.717 0.998 -10.214 1.00 0.00 O ATOM 0 H SER A 697 45.275 -0.361 -6.470 1.00 0.00 H new ATOM 0 HA SER A 697 44.263 1.868 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 697 44.448 -0.830 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.985 0.105 -9.527 1.00 0.00 H new ATOM 0 HG SER A 697 45.503 1.405 -9.793 1.00 0.00 H new ATOM 235 N ASN A 698 42.398 -0.743 -7.293 1.00 0.00 N ATOM 236 CA ASN A 698 41.172 -1.163 -6.621 1.00 0.00 C ATOM 237 C ASN A 698 41.459 -2.323 -5.671 1.00 0.00 C ATOM 238 O ASN A 698 42.603 -2.524 -5.257 1.00 0.00 O ATOM 239 CB ASN A 698 40.130 -1.584 -7.665 1.00 0.00 C ATOM 240 CG ASN A 698 39.373 -0.360 -8.168 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.727 0.207 -9.201 1.00 0.00 O ATOM 242 ND2 ASN A 698 38.388 0.122 -7.461 1.00 0.00 N ATOM 0 H ASN A 698 42.754 -1.410 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 698 40.782 -0.327 -6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.621 -2.086 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.433 -2.299 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.910 0.970 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 698 38.096 -0.350 -6.605 1.00 0.00 H new ATOM 249 N LYS A 699 40.402 -3.003 -5.231 1.00 0.00 N ATOM 250 CA LYS A 699 40.556 -4.162 -4.353 1.00 0.00 C ATOM 251 C LYS A 699 41.563 -5.144 -4.938 1.00 0.00 C ATOM 252 O LYS A 699 42.526 -5.524 -4.272 1.00 0.00 O ATOM 253 CB LYS A 699 39.213 -4.878 -4.154 1.00 0.00 C ATOM 254 CG LYS A 699 38.054 -3.934 -4.487 1.00 0.00 C ATOM 255 CD LYS A 699 36.726 -4.608 -4.130 1.00 0.00 C ATOM 256 CE LYS A 699 35.854 -4.731 -5.382 1.00 0.00 C ATOM 257 NZ LYS A 699 34.507 -5.237 -4.998 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.436 -2.774 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 699 40.916 -3.803 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.166 -5.761 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.126 -5.223 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 699 38.161 -3.001 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.071 -3.680 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 699 36.911 -5.595 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 699 36.206 -4.027 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 699 35.764 -3.762 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 699 36.319 -5.409 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 33.913 -5.321 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 34.602 -6.170 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 34.064 -4.574 -4.330 1.00 0.00 H new ATOM 271 N GLY A 700 41.424 -5.419 -6.232 1.00 0.00 N ATOM 272 CA GLY A 700 42.227 -6.452 -6.878 1.00 0.00 C ATOM 273 C GLY A 700 43.699 -6.053 -6.911 1.00 0.00 C ATOM 274 O GLY A 700 44.579 -6.912 -6.845 1.00 0.00 O ATOM 0 H GLY A 700 40.767 -4.944 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.113 -7.395 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.867 -6.616 -7.894 1.00 0.00 H new ATOM 278 N ALA A 701 43.949 -4.754 -6.756 1.00 0.00 N ATOM 279 CA ALA A 701 45.313 -4.240 -6.752 1.00 0.00 C ATOM 280 C ALA A 701 46.040 -4.640 -5.470 1.00 0.00 C ATOM 281 O ALA A 701 47.269 -4.664 -5.431 1.00 0.00 O ATOM 282 CB ALA A 701 45.296 -2.715 -6.874 1.00 0.00 C ATOM 0 H ALA A 701 43.228 -4.043 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 701 45.842 -4.669 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.319 -2.338 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.808 -2.430 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.749 -2.289 -6.033 1.00 0.00 H new ATOM 288 N ILE A 702 45.274 -5.045 -4.457 1.00 0.00 N ATOM 289 CA ILE A 702 45.860 -5.532 -3.209 1.00 0.00 C ATOM 290 C ILE A 702 46.853 -6.657 -3.484 1.00 0.00 C ATOM 291 O ILE A 702 47.941 -6.687 -2.909 1.00 0.00 O ATOM 292 CB ILE A 702 44.754 -6.035 -2.270 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.328 -6.233 -0.862 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.199 -7.368 -2.790 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.213 -6.655 0.100 1.00 0.00 C ATOM 0 H ILE A 702 44.254 -5.046 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 702 46.390 -4.707 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 702 43.950 -5.300 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.110 -6.992 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.790 -5.309 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.415 -7.721 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.787 -7.226 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 702 45.001 -8.105 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.627 -6.794 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.446 -5.881 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.771 -7.591 -0.243 1.00 0.00 H new ATOM 307 N ILE A 703 46.555 -7.452 -4.509 1.00 0.00 N ATOM 308 CA ILE A 703 47.432 -8.547 -4.905 1.00 0.00 C ATOM 309 C ILE A 703 48.760 -8.001 -5.426 1.00 0.00 C ATOM 310 O ILE A 703 49.825 -8.406 -4.960 1.00 0.00 O ATOM 311 CB ILE A 703 46.754 -9.385 -5.995 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.465 -10.007 -5.443 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.705 -10.497 -6.456 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.515 -10.341 -6.598 1.00 0.00 C ATOM 0 H ILE A 703 45.714 -7.357 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 703 47.627 -9.174 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 703 46.510 -8.743 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.698 -10.910 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.983 -9.315 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.221 -11.092 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.617 -10.053 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.954 -11.137 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.601 -10.783 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.271 -9.429 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.997 -11.049 -7.272 1.00 0.00 H new ATOM 326 N GLY A 704 48.675 -6.919 -6.196 1.00 0.00 N ATOM 327 CA GLY A 704 49.865 -6.275 -6.741 1.00 0.00 C ATOM 328 C GLY A 704 50.636 -5.539 -5.650 1.00 0.00 C ATOM 329 O GLY A 704 51.868 -5.492 -5.670 1.00 0.00 O ATOM 0 H GLY A 704 47.796 -6.471 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.508 -7.023 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.577 -5.574 -7.524 1.00 0.00 H new ATOM 333 N LEU A 705 49.905 -5.021 -4.666 1.00 0.00 N ATOM 334 CA LEU A 705 50.527 -4.346 -3.531 1.00 0.00 C ATOM 335 C LEU A 705 51.191 -5.357 -2.604 1.00 0.00 C ATOM 336 O LEU A 705 52.123 -5.020 -1.877 1.00 0.00 O ATOM 337 CB LEU A 705 49.476 -3.554 -2.748 1.00 0.00 C ATOM 338 CG LEU A 705 48.893 -2.450 -3.637 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.717 -1.781 -2.915 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.973 -1.407 -3.936 1.00 0.00 C ATOM 0 H LEU A 705 48.886 -5.056 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 705 51.286 -3.664 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.682 -4.220 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.926 -3.117 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 705 48.544 -2.885 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.302 -0.996 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.947 -2.524 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.065 -1.347 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.556 -0.623 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.326 -0.971 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.807 -1.884 -4.451 1.00 0.00 H new ATOM 352 N MET A 706 50.623 -6.557 -2.546 1.00 0.00 N ATOM 353 CA MET A 706 51.132 -7.586 -1.650 1.00 0.00 C ATOM 354 C MET A 706 52.462 -8.129 -2.164 1.00 0.00 C ATOM 355 O MET A 706 53.478 -8.056 -1.474 1.00 0.00 O ATOM 356 CB MET A 706 50.123 -8.733 -1.536 1.00 0.00 C ATOM 357 CG MET A 706 50.318 -9.446 -0.196 1.00 0.00 C ATOM 358 SD MET A 706 49.479 -11.049 -0.234 1.00 0.00 S ATOM 359 CE MET A 706 47.845 -10.475 0.297 1.00 0.00 C ATOM 0 H MET A 706 49.817 -6.838 -3.104 1.00 0.00 H new ATOM 0 HA MET A 706 51.285 -7.140 -0.667 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.106 -8.347 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.259 -9.436 -2.358 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.381 -9.585 0.002 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.920 -8.835 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 706 47.159 -11.321 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 706 47.923 -10.018 1.284 1.00 0.00 H new ATOM 0 HE3 MET A 706 47.469 -9.740 -0.415 1.00 0.00 H new ATOM 369 N VAL A 707 52.475 -8.515 -3.438 1.00 0.00 N ATOM 370 CA VAL A 707 53.671 -9.094 -4.042 1.00 0.00 C ATOM 371 C VAL A 707 54.728 -8.017 -4.269 1.00 0.00 C ATOM 372 O VAL A 707 55.911 -8.234 -4.002 1.00 0.00 O ATOM 373 CB VAL A 707 53.317 -9.759 -5.379 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.286 -10.871 -5.149 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.737 -8.715 -6.340 1.00 0.00 C ATOM 0 H VAL A 707 51.676 -8.438 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 707 54.072 -9.845 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 707 54.220 -10.188 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.038 -11.340 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.702 -11.619 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.384 -10.446 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.487 -9.192 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.837 -8.280 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 707 53.473 -7.930 -6.512 1.00 0.00 H new ATOM 385 N GLY A 708 54.268 -6.810 -4.591 1.00 0.00 N ATOM 386 CA GLY A 708 55.170 -5.681 -4.795 1.00 0.00 C ATOM 387 C GLY A 708 55.497 -4.997 -3.470 1.00 0.00 C ATOM 388 O GLY A 708 56.402 -4.164 -3.403 1.00 0.00 O ATOM 0 H GLY A 708 53.280 -6.590 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.090 -6.026 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.712 -4.963 -5.476 1.00 0.00 H new ATOM 392 N GLY A 709 54.861 -5.463 -2.396 1.00 0.00 N ATOM 393 CA GLY A 709 55.056 -4.863 -1.080 1.00 0.00 C ATOM 394 C GLY A 709 56.278 -5.453 -0.385 1.00 0.00 C ATOM 395 O GLY A 709 56.399 -5.385 0.839 1.00 0.00 O ATOM 0 H GLY A 709 54.211 -6.249 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.177 -3.785 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.170 -5.027 -0.467 1.00 0.00 H new ATOM 399 N VAL A 710 57.149 -6.088 -1.166 1.00 0.00 N ATOM 400 CA VAL A 710 58.393 -6.633 -0.631 1.00 0.00 C ATOM 401 C VAL A 710 59.412 -5.521 -0.394 1.00 0.00 C ATOM 402 O VAL A 710 60.139 -5.538 0.601 1.00 0.00 O ATOM 403 CB VAL A 710 58.975 -7.666 -1.606 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.013 -8.854 -1.727 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.177 -7.028 -2.986 1.00 0.00 C ATOM 0 H VAL A 710 57.017 -6.237 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 710 58.174 -7.116 0.322 1.00 0.00 H new ATOM 0 HB VAL A 710 59.937 -8.012 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.426 -9.588 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.878 -9.314 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.050 -8.506 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.590 -7.768 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.219 -6.675 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.866 -6.187 -2.901 1.00 0.00 H new ATOM 415 N VAL A 711 59.386 -4.506 -1.253 1.00 0.00 N ATOM 416 CA VAL A 711 60.328 -3.398 -1.146 1.00 0.00 C ATOM 417 C VAL A 711 59.904 -2.440 -0.037 1.00 0.00 C ATOM 418 O VAL A 711 60.692 -2.126 0.855 1.00 0.00 O ATOM 419 CB VAL A 711 60.408 -2.644 -2.479 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.457 -1.533 -2.380 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.797 -3.619 -3.597 1.00 0.00 C ATOM 0 H VAL A 711 58.726 -4.428 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 711 61.310 -3.803 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 711 59.437 -2.204 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.512 -0.999 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.178 -0.838 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.429 -1.970 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.854 -3.083 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.767 -4.062 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.047 -4.406 -3.670 1.00 0.00 H new ATOM 431 N ILE A 712 58.617 -2.101 -0.014 1.00 0.00 N ATOM 432 CA ILE A 712 58.090 -1.200 1.005 1.00 0.00 C ATOM 433 C ILE A 712 58.118 -1.866 2.379 1.00 0.00 C ATOM 434 O ILE A 712 58.304 -1.197 3.396 1.00 0.00 O ATOM 435 CB ILE A 712 56.654 -0.792 0.651 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.231 0.404 1.515 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.704 -1.970 0.901 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.829 0.868 1.111 1.00 0.00 C ATOM 0 H ILE A 712 57.925 -2.435 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 712 58.718 -0.310 1.038 1.00 0.00 H new ATOM 0 HB ILE A 712 56.609 -0.512 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.242 0.125 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.943 1.221 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.685 -1.676 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.002 -2.816 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 712 55.749 -2.257 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 712 54.535 1.717 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.832 1.165 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.120 0.052 1.255 1.00 0.00 H new ATOM 450 N ALA A 713 58.082 -3.198 2.386 1.00 0.00 N ATOM 451 CA ALA A 713 58.129 -3.950 3.635 1.00 0.00 C ATOM 452 C ALA A 713 59.440 -3.689 4.368 1.00 0.00 C ATOM 453 O ALA A 713 59.436 -3.130 5.465 1.00 0.00 O ATOM 454 CB ALA A 713 57.989 -5.448 3.350 1.00 0.00 C ATOM 0 H ALA A 713 58.021 -3.773 1.546 1.00 0.00 H new ATOM 0 HA ALA A 713 57.302 -3.623 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.025 -6.002 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.037 -5.637 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.805 -5.773 2.705 1.00 0.00 H new ATOM 460 N THR A 714 60.547 -3.848 3.647 1.00 0.00 N ATOM 461 CA THR A 714 61.871 -3.685 4.241 1.00 0.00 C ATOM 462 C THR A 714 62.076 -2.246 4.710 1.00 0.00 C ATOM 463 O THR A 714 62.613 -2.013 5.793 1.00 0.00 O ATOM 464 CB THR A 714 62.950 -4.050 3.217 1.00 0.00 C ATOM 465 OG1 THR A 714 62.735 -3.316 2.020 1.00 0.00 O ATOM 466 CG2 THR A 714 62.883 -5.550 2.915 1.00 0.00 C ATOM 0 H THR A 714 60.554 -4.088 2.656 1.00 0.00 H new ATOM 0 HA THR A 714 61.947 -4.349 5.102 1.00 0.00 H new ATOM 0 HB THR A 714 63.932 -3.805 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.878 -2.844 2.075 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.651 -5.809 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.049 -6.114 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.901 -5.796 2.510 1.00 0.00 H new ATOM 474 N VAL A 715 61.452 -1.310 3.997 1.00 0.00 N ATOM 475 CA VAL A 715 61.518 0.099 4.370 1.00 0.00 C ATOM 476 C VAL A 715 60.772 0.344 5.680 1.00 0.00 C ATOM 477 O VAL A 715 61.306 0.960 6.601 1.00 0.00 O ATOM 478 CB VAL A 715 60.905 0.957 3.257 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.857 2.424 3.700 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.755 0.836 1.990 1.00 0.00 C ATOM 0 H VAL A 715 60.898 -1.502 3.162 1.00 0.00 H new ATOM 0 HA VAL A 715 62.564 0.374 4.509 1.00 0.00 H new ATOM 0 HB VAL A 715 59.893 0.608 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.421 3.030 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.248 2.513 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.868 2.774 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.318 1.446 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.768 1.181 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.785 -0.206 1.670 1.00 0.00 H new ATOM 490 N ILE A 716 59.579 -0.233 5.790 1.00 0.00 N ATOM 491 CA ILE A 716 58.779 -0.091 7.002 1.00 0.00 C ATOM 492 C ILE A 716 59.410 -0.871 8.152 1.00 0.00 C ATOM 493 O ILE A 716 59.535 -0.355 9.263 1.00 0.00 O ATOM 494 CB ILE A 716 57.355 -0.599 6.751 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.672 0.287 5.701 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.553 -0.554 8.057 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.476 -0.454 5.100 1.00 0.00 C ATOM 0 H ILE A 716 59.147 -0.800 5.060 1.00 0.00 H new ATOM 0 HA ILE A 716 58.742 0.964 7.272 1.00 0.00 H new ATOM 0 HB ILE A 716 57.398 -1.626 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.342 1.220 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.381 0.550 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.541 -0.916 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.036 -1.186 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.511 0.472 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 716 54.993 0.178 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.818 -1.375 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.763 -0.694 5.889 1.00 0.00 H new ATOM 509 N VAL A 717 59.986 -2.024 7.821 1.00 0.00 N ATOM 510 CA VAL A 717 60.550 -2.907 8.837 1.00 0.00 C ATOM 511 C VAL A 717 61.820 -2.299 9.424 1.00 0.00 C ATOM 512 O VAL A 717 61.914 -2.098 10.635 1.00 0.00 O ATOM 513 CB VAL A 717 60.869 -4.276 8.221 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.582 -5.155 9.256 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.569 -4.958 7.781 1.00 0.00 C ATOM 0 H VAL A 717 60.074 -2.366 6.864 1.00 0.00 H new ATOM 0 HA VAL A 717 59.818 -3.032 9.635 1.00 0.00 H new ATOM 0 HB VAL A 717 61.517 -4.138 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.807 -6.126 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.510 -4.673 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.937 -5.291 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.798 -5.930 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.918 -5.093 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.065 -4.337 7.041 1.00 0.00 H new ATOM 525 N ILE A 718 62.702 -1.837 8.543 1.00 0.00 N ATOM 526 CA ILE A 718 63.998 -1.320 8.969 1.00 0.00 C ATOM 527 C ILE A 718 63.824 -0.016 9.748 1.00 0.00 C ATOM 528 O ILE A 718 64.541 0.231 10.719 1.00 0.00 O ATOM 529 CB ILE A 718 64.897 -1.090 7.743 1.00 0.00 C ATOM 530 CG1 ILE A 718 66.370 -1.115 8.169 1.00 0.00 C ATOM 531 CG2 ILE A 718 64.572 0.263 7.099 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.927 -2.531 8.000 1.00 0.00 C ATOM 0 H ILE A 718 62.545 -1.810 7.536 1.00 0.00 H new ATOM 0 HA ILE A 718 64.470 -2.052 9.624 1.00 0.00 H new ATOM 0 HB ILE A 718 64.716 -1.883 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.946 -0.412 7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.465 -0.797 9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 718 65.214 0.417 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 718 63.528 0.275 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 718 64.742 1.060 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 718 67.974 -2.549 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.358 -3.222 8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.846 -2.831 6.955 1.00 0.00 H new ATOM 544 N THR A 719 62.738 0.697 9.453 1.00 0.00 N ATOM 545 CA THR A 719 62.354 1.860 10.246 1.00 0.00 C ATOM 546 C THR A 719 61.866 1.431 11.626 1.00 0.00 C ATOM 547 O THR A 719 62.336 1.940 12.644 1.00 0.00 O ATOM 548 CB THR A 719 61.249 2.641 9.528 1.00 0.00 C ATOM 549 OG1 THR A 719 61.696 3.008 8.231 1.00 0.00 O ATOM 550 CG2 THR A 719 60.907 3.903 10.324 1.00 0.00 C ATOM 0 H THR A 719 62.112 0.490 8.674 1.00 0.00 H new ATOM 0 HA THR A 719 63.229 2.499 10.367 1.00 0.00 H new ATOM 0 HB THR A 719 60.361 2.015 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.274 2.428 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.121 4.456 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.562 3.623 11.319 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.794 4.530 10.410 1.00 0.00 H new ATOM 558 N LEU A 720 61.008 0.414 11.654 1.00 0.00 N ATOM 559 CA LEU A 720 60.387 -0.018 12.902 1.00 0.00 C ATOM 560 C LEU A 720 61.437 -0.567 13.861 1.00 0.00 C ATOM 561 O LEU A 720 61.364 -0.343 15.070 1.00 0.00 O ATOM 562 CB LEU A 720 59.339 -1.100 12.618 1.00 0.00 C ATOM 563 CG LEU A 720 57.942 -0.572 12.967 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.887 -1.578 12.502 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.828 -0.372 14.485 1.00 0.00 C ATOM 0 H LEU A 720 60.729 -0.123 10.833 1.00 0.00 H new ATOM 0 HA LEU A 720 59.905 0.844 13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.377 -1.390 11.568 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.557 -1.993 13.203 1.00 0.00 H new ATOM 0 HG LEU A 720 57.781 0.383 12.466 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.894 -1.204 12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.965 -1.715 11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.050 -2.533 13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.834 0.003 14.729 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.991 -1.324 14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.578 0.347 14.815 1.00 0.00 H new ATOM 577 N VAL A 721 62.472 -1.187 13.299 1.00 0.00 N ATOM 578 CA VAL A 721 63.601 -1.655 14.095 1.00 0.00 C ATOM 579 C VAL A 721 64.229 -0.496 14.866 1.00 0.00 C ATOM 580 O VAL A 721 64.446 -0.593 16.074 1.00 0.00 O ATOM 581 CB VAL A 721 64.652 -2.298 13.182 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.942 -2.544 13.971 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.120 -3.632 12.649 1.00 0.00 C ATOM 0 H VAL A 721 62.551 -1.376 12.300 1.00 0.00 H new ATOM 0 HA VAL A 721 63.239 -2.396 14.808 1.00 0.00 H new ATOM 0 HB VAL A 721 64.861 -1.628 12.348 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.686 -3.001 13.319 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.324 -1.596 14.349 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.735 -3.211 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.867 -4.089 12.000 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.908 -4.299 13.485 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.205 -3.459 12.083 1.00 0.00 H new ATOM 593 N MET A 722 64.331 0.655 14.205 1.00 0.00 N ATOM 594 CA MET A 722 64.969 1.819 14.813 1.00 0.00 C ATOM 595 C MET A 722 64.007 2.516 15.770 1.00 0.00 C ATOM 596 O MET A 722 64.426 3.073 16.785 1.00 0.00 O ATOM 597 CB MET A 722 65.414 2.801 13.725 1.00 0.00 C ATOM 598 CG MET A 722 66.641 2.243 12.995 1.00 0.00 C ATOM 599 SD MET A 722 68.135 3.062 13.612 1.00 0.00 S ATOM 600 CE MET A 722 68.280 4.310 12.306 1.00 0.00 C ATOM 0 H MET A 722 63.984 0.806 13.258 1.00 0.00 H new ATOM 0 HA MET A 722 65.841 1.482 15.373 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.602 2.967 13.017 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.652 3.768 14.169 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.712 1.167 13.152 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.543 2.403 11.921 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.153 4.935 12.495 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.390 3.816 11.341 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.384 4.931 12.295 1.00 0.00 H new ATOM 610 N LEU A 723 62.708 2.387 15.495 1.00 0.00 N ATOM 611 CA LEU A 723 61.684 2.957 16.369 1.00 0.00 C ATOM 612 C LEU A 723 61.653 2.227 17.709 1.00 0.00 C ATOM 613 O LEU A 723 61.323 2.821 18.735 1.00 0.00 O ATOM 614 CB LEU A 723 60.303 2.859 15.706 1.00 0.00 C ATOM 615 CG LEU A 723 60.240 3.784 14.485 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.885 3.612 13.788 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.402 5.241 14.928 1.00 0.00 C ATOM 0 H LEU A 723 62.343 1.896 14.679 1.00 0.00 H new ATOM 0 HA LEU A 723 61.931 4.005 16.540 1.00 0.00 H new ATOM 0 HB2 LEU A 723 60.108 1.830 15.403 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.527 3.133 16.421 1.00 0.00 H new ATOM 0 HG LEU A 723 61.044 3.526 13.796 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.837 4.268 12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.770 2.577 13.467 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.084 3.868 14.481 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.356 5.894 14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.601 5.502 15.619 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.364 5.365 15.424 1.00 0.00 H new ATOM 629 N LYS A 724 62.182 1.005 17.720 1.00 0.00 N ATOM 630 CA LYS A 724 62.214 0.201 18.939 1.00 0.00 C ATOM 631 C LYS A 724 63.486 0.483 19.734 1.00 0.00 C ATOM 632 O LYS A 724 63.865 -0.297 20.611 1.00 0.00 O ATOM 633 CB LYS A 724 62.152 -1.287 18.577 1.00 0.00 C ATOM 634 CG LYS A 724 60.746 -1.637 18.079 1.00 0.00 C ATOM 635 CD LYS A 724 60.704 -3.111 17.664 1.00 0.00 C ATOM 636 CE LYS A 724 59.330 -3.447 17.075 1.00 0.00 C ATOM 637 NZ LYS A 724 59.474 -3.777 15.628 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.592 0.552 16.903 1.00 0.00 H new ATOM 0 HA LYS A 724 61.353 0.464 19.553 1.00 0.00 H new ATOM 0 HB2 LYS A 724 62.889 -1.515 17.807 1.00 0.00 H new ATOM 0 HB3 LYS A 724 62.402 -1.894 19.447 1.00 0.00 H new ATOM 0 HG2 LYS A 724 60.013 -1.448 18.863 1.00 0.00 H new ATOM 0 HG3 LYS A 724 60.479 -1.002 17.234 1.00 0.00 H new ATOM 0 HD2 LYS A 724 61.484 -3.314 16.930 1.00 0.00 H new ATOM 0 HD3 LYS A 724 60.905 -3.747 18.526 1.00 0.00 H new ATOM 0 HE2 LYS A 724 58.890 -4.290 17.609 1.00 0.00 H new ATOM 0 HE3 LYS A 724 58.653 -2.602 17.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 58.541 -4.005 15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 59.876 -2.961 15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 60.106 -4.596 15.520 1.00 0.00 H new ATOM 651 N LYS A 725 64.040 1.678 19.542 1.00 0.00 N ATOM 652 CA LYS A 725 65.219 2.099 20.289 1.00 0.00 C ATOM 653 C LYS A 725 64.834 2.539 21.700 1.00 0.00 C ATOM 654 O LYS A 725 63.651 2.627 22.030 1.00 0.00 O ATOM 655 CB LYS A 725 65.913 3.253 19.556 1.00 0.00 C ATOM 656 CG LYS A 725 64.969 4.462 19.482 1.00 0.00 C ATOM 657 CD LYS A 725 65.465 5.560 20.428 1.00 0.00 C ATOM 658 CE LYS A 725 64.540 6.780 20.334 1.00 0.00 C ATOM 659 NZ LYS A 725 63.682 6.851 21.551 1.00 0.00 N1+ ATOM 0 H LYS A 725 63.692 2.369 18.877 1.00 0.00 H new ATOM 0 HA LYS A 725 65.903 1.253 20.364 1.00 0.00 H new ATOM 0 HB2 LYS A 725 66.831 3.527 20.076 1.00 0.00 H new ATOM 0 HB3 LYS A 725 66.198 2.940 18.552 1.00 0.00 H new ATOM 0 HG2 LYS A 725 64.926 4.840 18.461 1.00 0.00 H new ATOM 0 HG3 LYS A 725 63.957 4.163 19.755 1.00 0.00 H new ATOM 0 HD2 LYS A 725 65.489 5.188 21.452 1.00 0.00 H new ATOM 0 HD3 LYS A 725 66.485 5.844 20.168 1.00 0.00 H new ATOM 0 HE2 LYS A 725 65.131 7.691 20.240 1.00 0.00 H new ATOM 0 HE3 LYS A 725 63.918 6.710 19.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 63.055 7.678 21.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 63.108 5.987 21.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 64.283 6.937 22.395 1.00 0.00 H new ATOM 673 N LYS A 726 65.842 2.817 22.524 1.00 0.00 N ATOM 674 CA LYS A 726 65.603 3.277 23.889 1.00 0.00 C ATOM 675 C LYS A 726 66.602 4.367 24.266 1.00 0.00 C ATOM 676 O LYS A 726 67.799 4.106 24.386 1.00 0.00 O ATOM 677 CB LYS A 726 65.721 2.106 24.877 1.00 0.00 C ATOM 678 CG LYS A 726 66.483 0.944 24.225 1.00 0.00 C ATOM 679 CD LYS A 726 66.763 -0.142 25.268 1.00 0.00 C ATOM 680 CE LYS A 726 67.158 -1.441 24.561 1.00 0.00 C ATOM 681 NZ LYS A 726 67.873 -2.334 25.516 1.00 0.00 N1+ ATOM 0 H LYS A 726 66.827 2.732 22.272 1.00 0.00 H new ATOM 0 HA LYS A 726 64.594 3.686 23.940 1.00 0.00 H new ATOM 0 HB2 LYS A 726 66.240 2.431 25.779 1.00 0.00 H new ATOM 0 HB3 LYS A 726 64.728 1.775 25.182 1.00 0.00 H new ATOM 0 HG2 LYS A 726 65.899 0.530 23.403 1.00 0.00 H new ATOM 0 HG3 LYS A 726 67.420 1.304 23.801 1.00 0.00 H new ATOM 0 HD2 LYS A 726 67.563 0.178 25.936 1.00 0.00 H new ATOM 0 HD3 LYS A 726 65.879 -0.305 25.884 1.00 0.00 H new ATOM 0 HE2 LYS A 726 66.270 -1.941 24.175 1.00 0.00 H new ATOM 0 HE3 LYS A 726 67.797 -1.221 23.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 68.140 -3.216 25.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 68.729 -1.856 25.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 67.249 -2.554 26.319 1.00 0.00 H new ATOM 695 N GLN A 727 66.118 5.608 24.335 1.00 0.00 N ATOM 696 CA GLN A 727 66.987 6.747 24.620 1.00 0.00 C ATOM 697 C GLN A 727 67.747 6.527 25.926 1.00 0.00 C ATOM 698 O GLN A 727 67.154 6.552 27.006 1.00 0.00 O ATOM 699 CB GLN A 727 66.156 8.030 24.722 1.00 0.00 C ATOM 700 CG GLN A 727 67.077 9.222 25.005 1.00 0.00 C ATOM 701 CD GLN A 727 66.343 10.529 24.726 1.00 0.00 C ATOM 702 OE1 GLN A 727 65.456 10.919 25.486 1.00 0.00 O ATOM 703 NE2 GLN A 727 66.627 11.208 23.648 1.00 0.00 N ATOM 0 H GLN A 727 65.136 5.848 24.198 1.00 0.00 H new ATOM 0 HA GLN A 727 67.704 6.844 23.805 1.00 0.00 H new ATOM 0 HB2 GLN A 727 65.608 8.194 23.794 1.00 0.00 H new ATOM 0 HB3 GLN A 727 65.416 7.933 25.517 1.00 0.00 H new ATOM 0 HG2 GLN A 727 67.409 9.197 26.043 1.00 0.00 H new ATOM 0 HG3 GLN A 727 67.970 9.157 24.383 1.00 0.00 H new ATOM 0 HE21 GLN A 727 67.362 10.883 23.020 1.00 0.00 H new ATOM 0 HE22 GLN A 727 66.114 12.063 23.434 1.00 0.00 H new ATOM 712 N TYR A 728 69.022 6.161 25.805 1.00 0.00 N ATOM 713 CA TYR A 728 69.827 5.806 26.970 1.00 0.00 C ATOM 714 C TYR A 728 69.177 4.662 27.745 1.00 0.00 C ATOM 715 O TYR A 728 69.644 3.524 27.700 1.00 0.00 O ATOM 716 CB TYR A 728 69.985 7.025 27.888 1.00 0.00 C ATOM 717 CG TYR A 728 71.351 7.003 28.534 1.00 0.00 C ATOM 718 CD1 TYR A 728 71.593 6.160 29.625 1.00 0.00 C ATOM 719 CD2 TYR A 728 72.401 7.739 27.973 1.00 0.00 C ATOM 720 CE1 TYR A 728 72.873 6.095 30.187 1.00 0.00 C ATOM 721 CE2 TYR A 728 73.664 7.725 28.577 1.00 0.00 C ATOM 722 CZ TYR A 728 73.901 6.903 29.684 1.00 0.00 C ATOM 723 OH TYR A 728 75.129 6.927 30.313 1.00 0.00 O ATOM 0 H TYR A 728 69.517 6.103 24.915 1.00 0.00 H new ATOM 0 HA TYR A 728 70.809 5.482 26.624 1.00 0.00 H new ATOM 0 HB2 TYR A 728 69.858 7.943 27.314 1.00 0.00 H new ATOM 0 HB3 TYR A 728 69.210 7.018 28.654 1.00 0.00 H new ATOM 0 HD1 TYR A 728 70.793 5.560 30.033 1.00 0.00 H new ATOM 0 HD2 TYR A 728 72.237 8.317 27.075 1.00 0.00 H new ATOM 0 HE1 TYR A 728 73.068 5.422 31.009 1.00 0.00 H new ATOM 0 HE2 TYR A 728 74.455 8.349 28.188 1.00 0.00 H new ATOM 0 HH TYR A 728 75.729 7.538 29.836 1.00 0.00 H new TER 733 TYR A 728