USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 704 TYR OH : rot 30:sc= -1.91! USER MOD Set 1.2: A 721 LYS NZ :NH3+ -120:sc= 0.0302 (180deg=0) USER MOD Set 2.1: A 688 SER OG : rot 166:sc= 0.119 USER MOD Set 2.2: A 745 THR OG1 : rot -178:sc= -1.97! USER MOD Single : A 699 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.161) USER MOD Single : A 709 SER OG : rot 180:sc=-0.00999 USER MOD Single : A 711 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.052) USER MOD Single : A 714 SER OG : rot 180:sc= 0 USER MOD Single : A 715 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.62) USER MOD Single : A 718 LYS NZ :NH3+ -165:sc= -0.0222 (180deg=-0.322) USER MOD Single : A 723 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.9!) USER MOD Single : A 728 GLN : amide:sc=8.28e-05 X(o=8.3e-05,f=-0.024) USER MOD Single : A 735 MET CE :methyl 145:sc= -7.38! (180deg=-8.39!) USER MOD Single : A 736 LYS NZ :NH3+ -115:sc= -0.24 (180deg=-1.82!) USER MOD Single : A 738 LYS NZ :NH3+ 173:sc= -0.0883 (180deg=-0.219) USER MOD Single : A 741 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 742 SER OG : rot 180:sc= 0 USER MOD Single : A 747 SER OG : rot 81:sc= 0.503 USER MOD Single : A 748 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.00025) USER MOD Single : A 749 THR OG1 : rot -30:sc= 1.11 USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 LYS NZ :NH3+ -167:sc= -0.0302 (180deg=-0.235) USER MOD Single : A 756 MET CE :methyl -168:sc= 0 (180deg=-0.22) USER MOD Single : A 759 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 686 -5.913 4.263 -10.217 1.00 0.00 N ATOM 9 CA VAL A 686 -5.073 5.207 -10.947 1.00 0.00 C ATOM 10 C VAL A 686 -3.618 5.104 -10.511 1.00 0.00 C ATOM 11 O VAL A 686 -2.716 4.945 -11.335 1.00 0.00 O ATOM 12 CB VAL A 686 -5.558 6.657 -10.751 1.00 0.00 C ATOM 13 CG1 VAL A 686 -4.744 7.616 -11.604 1.00 0.00 C ATOM 14 CG2 VAL A 686 -7.040 6.769 -11.074 1.00 0.00 C ATOM 0 HA VAL A 686 -5.149 4.946 -12.003 1.00 0.00 H new ATOM 0 HB VAL A 686 -5.414 6.931 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -5.103 8.634 -11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -3.694 7.555 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -4.851 7.348 -12.655 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -7.367 7.799 -10.931 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -7.210 6.475 -12.110 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -7.607 6.113 -10.413 1.00 0.00 H new ATOM 24 N GLU A 687 -3.404 5.196 -9.212 1.00 0.00 N ATOM 25 CA GLU A 687 -2.063 5.113 -8.649 1.00 0.00 C ATOM 26 C GLU A 687 -1.474 3.724 -8.864 1.00 0.00 C ATOM 27 O GLU A 687 -0.350 3.589 -9.342 1.00 0.00 O ATOM 28 CB GLU A 687 -2.082 5.460 -7.161 1.00 0.00 C ATOM 29 CG GLU A 687 -3.138 4.709 -6.368 1.00 0.00 C ATOM 30 CD GLU A 687 -3.230 5.179 -4.929 1.00 0.00 C ATOM 31 OE1 GLU A 687 -2.435 4.697 -4.095 1.00 0.00 O ATOM 32 OE2 GLU A 687 -4.096 6.030 -4.637 1.00 0.00 O ATOM 0 H GLU A 687 -4.143 5.329 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 687 -1.432 5.837 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -1.102 5.246 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -2.251 6.531 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -4.107 4.835 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -2.910 3.643 -6.384 1.00 0.00 H new ATOM 39 N SER A 688 -2.238 2.695 -8.518 1.00 0.00 N ATOM 40 CA SER A 688 -1.779 1.322 -8.685 1.00 0.00 C ATOM 41 C SER A 688 -1.363 1.065 -10.131 1.00 0.00 C ATOM 42 O SER A 688 -0.548 0.186 -10.404 1.00 0.00 O ATOM 43 CB SER A 688 -2.865 0.335 -8.267 1.00 0.00 C ATOM 44 OG SER A 688 -4.020 0.469 -9.079 1.00 0.00 O ATOM 0 H SER A 688 -3.174 2.784 -8.122 1.00 0.00 H new ATOM 0 HA SER A 688 -0.911 1.176 -8.042 1.00 0.00 H new ATOM 0 HB2 SER A 688 -2.482 -0.683 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 688 -3.130 0.502 -7.223 1.00 0.00 H new ATOM 0 HG SER A 688 -4.604 -0.307 -8.947 1.00 0.00 H new ATOM 50 N ALA A 689 -1.940 1.829 -11.056 1.00 0.00 N ATOM 51 CA ALA A 689 -1.618 1.686 -12.471 1.00 0.00 C ATOM 52 C ALA A 689 -0.137 1.946 -12.719 1.00 0.00 C ATOM 53 O ALA A 689 0.576 1.084 -13.233 1.00 0.00 O ATOM 54 CB ALA A 689 -2.468 2.631 -13.306 1.00 0.00 C ATOM 0 H ALA A 689 -2.631 2.551 -10.850 1.00 0.00 H new ATOM 0 HA ALA A 689 -1.839 0.661 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -2.216 2.512 -14.360 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -3.523 2.400 -13.157 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -2.276 3.659 -13.001 1.00 0.00 H new ATOM 60 N VAL A 690 0.321 3.140 -12.350 1.00 0.00 N ATOM 61 CA VAL A 690 1.725 3.500 -12.518 1.00 0.00 C ATOM 62 C VAL A 690 2.595 2.692 -11.565 1.00 0.00 C ATOM 63 O VAL A 690 3.610 2.117 -11.958 1.00 0.00 O ATOM 64 CB VAL A 690 1.963 5.001 -12.261 1.00 0.00 C ATOM 65 CG1 VAL A 690 1.301 5.844 -13.337 1.00 0.00 C ATOM 66 CG2 VAL A 690 1.460 5.401 -10.882 1.00 0.00 C ATOM 0 H VAL A 690 -0.257 3.871 -11.935 1.00 0.00 H new ATOM 0 HA VAL A 690 1.994 3.277 -13.550 1.00 0.00 H new ATOM 0 HB VAL A 690 3.037 5.183 -12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 690 1.482 6.900 -13.135 1.00 0.00 H new ATOM 0 HG12 VAL A 690 1.717 5.584 -14.310 1.00 0.00 H new ATOM 0 HG13 VAL A 690 0.228 5.654 -13.339 1.00 0.00 H new ATOM 0 HG21 VAL A 690 1.639 6.465 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 690 0.391 5.198 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.989 4.827 -10.121 1.00 0.00 H new ATOM 76 N LEU A 691 2.176 2.667 -10.307 1.00 0.00 N ATOM 77 CA LEU A 691 2.872 1.939 -9.257 1.00 0.00 C ATOM 78 C LEU A 691 3.197 0.514 -9.696 1.00 0.00 C ATOM 79 O LEU A 691 4.331 0.054 -9.555 1.00 0.00 O ATOM 80 CB LEU A 691 2.002 1.910 -8.001 1.00 0.00 C ATOM 81 CG LEU A 691 2.254 3.035 -6.992 1.00 0.00 C ATOM 82 CD1 LEU A 691 1.949 4.393 -7.603 1.00 0.00 C ATOM 83 CD2 LEU A 691 1.417 2.819 -5.743 1.00 0.00 C ATOM 0 H LEU A 691 1.339 3.154 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 691 3.812 2.449 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 691 0.956 1.947 -8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.154 0.955 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 691 3.309 3.016 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 691 2.136 5.174 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 691 2.588 4.553 -8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 691 0.904 4.427 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 691 1.606 3.626 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 691 0.360 2.811 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 691 1.683 1.866 -5.287 1.00 0.00 H new ATOM 95 N ARG A 692 2.191 -0.175 -10.226 1.00 0.00 N ATOM 96 CA ARG A 692 2.347 -1.550 -10.692 1.00 0.00 C ATOM 97 C ARG A 692 2.759 -2.478 -9.553 1.00 0.00 C ATOM 98 O ARG A 692 3.929 -2.534 -9.176 1.00 0.00 O ATOM 99 CB ARG A 692 3.379 -1.620 -11.822 1.00 0.00 C ATOM 100 CG ARG A 692 2.946 -0.897 -13.087 1.00 0.00 C ATOM 101 CD ARG A 692 4.008 -0.984 -14.171 1.00 0.00 C ATOM 102 NE ARG A 692 5.240 -0.300 -13.788 1.00 0.00 N ATOM 103 CZ ARG A 692 6.285 -0.150 -14.598 1.00 0.00 C ATOM 104 NH1 ARG A 692 6.248 -0.638 -15.830 1.00 0.00 N ATOM 105 NH2 ARG A 692 7.368 0.487 -14.175 1.00 0.00 N ATOM 0 H ARG A 692 1.250 0.201 -10.344 1.00 0.00 H new ATOM 0 HA ARG A 692 1.380 -1.882 -11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 692 4.318 -1.192 -11.472 1.00 0.00 H new ATOM 0 HB3 ARG A 692 3.575 -2.666 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 692 2.015 -1.329 -13.453 1.00 0.00 H new ATOM 0 HG3 ARG A 692 2.744 0.149 -12.858 1.00 0.00 H new ATOM 0 HD2 ARG A 692 4.226 -2.031 -14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 692 3.622 -0.547 -15.092 1.00 0.00 H new ATOM 0 HE ARG A 692 5.303 0.085 -12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 692 5.417 -1.130 -16.159 1.00 0.00 H new ATOM 0 HH12 ARG A 692 7.050 -0.522 -16.449 1.00 0.00 H new ATOM 0 HH21 ARG A 692 7.401 0.863 -13.227 1.00 0.00 H new ATOM 0 HH22 ARG A 692 8.168 0.601 -14.797 1.00 0.00 H new ATOM 119 N GLY A 693 1.785 -3.202 -9.007 1.00 0.00 N ATOM 120 CA GLY A 693 2.064 -4.124 -7.922 1.00 0.00 C ATOM 121 C GLY A 693 1.408 -3.722 -6.616 1.00 0.00 C ATOM 122 O GLY A 693 1.687 -4.311 -5.572 1.00 0.00 O ATOM 0 H GLY A 693 0.808 -3.166 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.721 -5.120 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 693 3.142 -4.188 -7.776 1.00 0.00 H new ATOM 126 N PHE A 694 0.538 -2.716 -6.667 1.00 0.00 N ATOM 127 CA PHE A 694 -0.151 -2.250 -5.468 1.00 0.00 C ATOM 128 C PHE A 694 -1.665 -2.283 -5.636 1.00 0.00 C ATOM 129 O PHE A 694 -2.182 -2.561 -6.719 1.00 0.00 O ATOM 130 CB PHE A 694 0.278 -0.826 -5.128 1.00 0.00 C ATOM 131 CG PHE A 694 1.734 -0.695 -4.813 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.665 -0.604 -5.828 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.171 -0.654 -3.503 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.007 -0.473 -5.548 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.510 -0.522 -3.212 1.00 0.00 C ATOM 136 CZ PHE A 694 4.430 -0.431 -4.236 1.00 0.00 C ATOM 0 H PHE A 694 0.295 -2.211 -7.520 1.00 0.00 H new ATOM 0 HA PHE A 694 0.123 -2.926 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.037 -0.173 -5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.302 -0.475 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.336 -0.636 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.454 -0.726 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.725 -0.403 -6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 694 3.840 -0.490 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.481 -0.327 -4.010 1.00 0.00 H new ATOM 146 N LEU A 695 -2.363 -1.991 -4.544 1.00 0.00 N ATOM 147 CA LEU A 695 -3.819 -1.958 -4.531 1.00 0.00 C ATOM 148 C LEU A 695 -4.304 -0.607 -4.044 1.00 0.00 C ATOM 149 O LEU A 695 -3.525 0.183 -3.514 1.00 0.00 O ATOM 150 CB LEU A 695 -4.370 -3.032 -3.602 1.00 0.00 C ATOM 151 CG LEU A 695 -4.330 -4.462 -4.132 1.00 0.00 C ATOM 152 CD1 LEU A 695 -4.641 -5.432 -3.011 1.00 0.00 C ATOM 153 CD2 LEU A 695 -5.316 -4.635 -5.273 1.00 0.00 C ATOM 0 H LEU A 695 -1.935 -1.771 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 695 -4.169 -2.138 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.811 -2.997 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -5.404 -2.783 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 695 -3.330 -4.670 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -4.611 -6.452 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -3.902 -5.321 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.634 -5.222 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -5.273 -5.661 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.324 -4.417 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -5.060 -3.951 -6.082 1.00 0.00 H new ATOM 165 N ILE A 696 -5.593 -0.341 -4.203 1.00 0.00 N ATOM 166 CA ILE A 696 -6.143 0.923 -3.751 1.00 0.00 C ATOM 167 C ILE A 696 -6.652 0.805 -2.321 1.00 0.00 C ATOM 168 O ILE A 696 -7.726 0.255 -2.076 1.00 0.00 O ATOM 169 CB ILE A 696 -7.291 1.408 -4.663 1.00 0.00 C ATOM 170 CG1 ILE A 696 -6.810 1.537 -6.111 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.845 2.736 -4.162 1.00 0.00 C ATOM 172 CD1 ILE A 696 -5.694 2.545 -6.297 1.00 0.00 C ATOM 0 H ILE A 696 -6.266 -0.974 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 696 -5.337 1.655 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 696 -8.091 0.668 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -6.468 0.562 -6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -7.653 1.822 -6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -8.653 3.063 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -8.226 2.612 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -7.052 3.484 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -5.407 2.580 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -6.037 3.530 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -4.834 2.251 -5.696 1.00 0.00 H new ATOM 184 N LEU A 697 -5.876 1.334 -1.379 1.00 0.00 N ATOM 185 CA LEU A 697 -6.249 1.293 0.028 1.00 0.00 C ATOM 186 C LEU A 697 -7.121 2.498 0.354 1.00 0.00 C ATOM 187 O LEU A 697 -8.317 2.491 0.076 1.00 0.00 O ATOM 188 CB LEU A 697 -4.991 1.253 0.908 1.00 0.00 C ATOM 189 CG LEU A 697 -5.141 0.573 2.274 1.00 0.00 C ATOM 190 CD1 LEU A 697 -6.027 1.399 3.189 1.00 0.00 C ATOM 191 CD2 LEU A 697 -5.694 -0.838 2.123 1.00 0.00 C ATOM 0 H LEU A 697 -4.986 1.795 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 697 -6.822 0.389 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -4.203 0.742 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -4.654 2.277 1.070 1.00 0.00 H new ATOM 0 HG LEU A 697 -4.151 0.502 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -6.121 0.899 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.584 2.384 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -7.014 1.507 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -5.791 -1.298 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -6.672 -0.796 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -5.015 -1.431 1.510 1.00 0.00 H new ATOM 203 N GLY A 698 -6.526 3.537 0.928 1.00 0.00 N ATOM 204 CA GLY A 698 -7.299 4.729 1.245 1.00 0.00 C ATOM 205 C GLY A 698 -6.527 5.765 2.039 1.00 0.00 C ATOM 206 O GLY A 698 -5.329 5.623 2.262 1.00 0.00 O ATOM 0 H GLY A 698 -5.538 3.579 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -7.648 5.182 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -8.184 4.437 1.810 1.00 0.00 H new ATOM 210 N LYS A 699 -7.230 6.816 2.458 1.00 0.00 N ATOM 211 CA LYS A 699 -6.629 7.894 3.239 1.00 0.00 C ATOM 212 C LYS A 699 -6.921 7.703 4.722 1.00 0.00 C ATOM 213 O LYS A 699 -7.651 8.480 5.338 1.00 0.00 O ATOM 214 CB LYS A 699 -7.152 9.252 2.763 1.00 0.00 C ATOM 215 CG LYS A 699 -8.658 9.283 2.554 1.00 0.00 C ATOM 216 CD LYS A 699 -9.129 10.634 2.037 1.00 0.00 C ATOM 217 CE LYS A 699 -8.587 10.928 0.645 1.00 0.00 C ATOM 218 NZ LYS A 699 -9.115 9.976 -0.372 1.00 0.00 N ATOM 0 H LYS A 699 -8.224 6.943 2.267 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.549 7.867 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.879 10.014 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.658 9.515 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -8.943 8.504 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -9.160 9.059 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -10.219 10.655 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -8.810 11.417 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -8.852 11.946 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -7.498 10.874 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.905 10.335 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -8.665 9.047 -0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -10.144 9.881 -0.257 1.00 0.00 H new ATOM 232 N GLU A 700 -6.339 6.653 5.275 1.00 0.00 N ATOM 233 CA GLU A 700 -6.514 6.305 6.677 1.00 0.00 C ATOM 234 C GLU A 700 -5.315 5.512 7.155 1.00 0.00 C ATOM 235 O GLU A 700 -4.279 5.507 6.507 1.00 0.00 O ATOM 236 CB GLU A 700 -7.787 5.492 6.885 1.00 0.00 C ATOM 237 CG GLU A 700 -7.834 4.221 6.052 1.00 0.00 C ATOM 238 CD GLU A 700 -9.100 3.421 6.288 1.00 0.00 C ATOM 239 OE1 GLU A 700 -9.156 2.679 7.291 1.00 0.00 O ATOM 240 OE2 GLU A 700 -10.039 3.542 5.471 1.00 0.00 O ATOM 0 H GLU A 700 -5.729 6.015 4.764 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.601 7.226 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.874 5.230 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.649 6.111 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.763 4.480 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.968 3.603 6.288 1.00 0.00 H new ATOM 247 N ASP A 701 -5.431 4.899 8.320 1.00 0.00 N ATOM 248 CA ASP A 701 -4.338 4.090 8.841 1.00 0.00 C ATOM 249 C ASP A 701 -3.060 4.915 8.901 1.00 0.00 C ATOM 250 O ASP A 701 -1.996 4.481 8.459 1.00 0.00 O ATOM 251 CB ASP A 701 -4.153 2.855 7.949 1.00 0.00 C ATOM 252 CG ASP A 701 -3.293 1.787 8.598 1.00 0.00 C ATOM 253 OD1 ASP A 701 -2.386 2.143 9.380 1.00 0.00 O ATOM 254 OD2 ASP A 701 -3.534 0.591 8.331 1.00 0.00 O ATOM 0 H ASP A 701 -6.257 4.943 8.917 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.574 3.761 9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -5.130 2.434 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.698 3.158 7.006 1.00 0.00 H new ATOM 259 N ARG A 702 -3.183 6.115 9.455 1.00 0.00 N ATOM 260 CA ARG A 702 -2.055 7.026 9.583 1.00 0.00 C ATOM 261 C ARG A 702 -1.029 6.474 10.568 1.00 0.00 C ATOM 262 O ARG A 702 0.066 7.019 10.708 1.00 0.00 O ATOM 263 CB ARG A 702 -2.537 8.408 10.039 1.00 0.00 C ATOM 264 CG ARG A 702 -3.486 9.087 9.059 1.00 0.00 C ATOM 265 CD ARG A 702 -4.898 8.524 9.151 1.00 0.00 C ATOM 266 NE ARG A 702 -5.434 8.610 10.507 1.00 0.00 N ATOM 267 CZ ARG A 702 -6.645 8.179 10.853 1.00 0.00 C ATOM 268 NH1 ARG A 702 -7.441 7.626 9.947 1.00 0.00 N ATOM 269 NH2 ARG A 702 -7.057 8.297 12.107 1.00 0.00 N ATOM 0 H ARG A 702 -4.060 6.481 9.825 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.579 7.124 8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -3.037 8.308 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.671 9.051 10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -3.509 10.158 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -3.110 8.960 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -5.550 9.068 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.895 7.483 8.828 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.846 9.024 11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -7.126 7.530 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -8.368 7.297 10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -6.446 8.718 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -7.985 7.967 12.372 1.00 0.00 H new ATOM 283 N ARG A 703 -1.394 5.388 11.243 1.00 0.00 N ATOM 284 CA ARG A 703 -0.511 4.751 12.213 1.00 0.00 C ATOM 285 C ARG A 703 0.819 4.374 11.571 1.00 0.00 C ATOM 286 O ARG A 703 1.833 4.235 12.258 1.00 0.00 O ATOM 287 CB ARG A 703 -1.181 3.505 12.797 1.00 0.00 C ATOM 288 CG ARG A 703 -0.365 2.821 13.882 1.00 0.00 C ATOM 289 CD ARG A 703 -1.027 1.532 14.341 1.00 0.00 C ATOM 290 NE ARG A 703 -0.280 0.883 15.413 1.00 0.00 N ATOM 291 CZ ARG A 703 -0.521 -0.355 15.835 1.00 0.00 C ATOM 292 NH1 ARG A 703 -1.481 -1.077 15.270 1.00 0.00 N ATOM 293 NH2 ARG A 703 0.198 -0.874 16.820 1.00 0.00 N ATOM 0 H ARG A 703 -2.299 4.930 11.135 1.00 0.00 H new ATOM 0 HA ARG A 703 -0.317 5.462 13.016 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -2.152 3.784 13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -1.368 2.793 11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 703 0.635 2.605 13.506 1.00 0.00 H new ATOM 0 HG3 ARG A 703 -0.248 3.494 14.731 1.00 0.00 H new ATOM 0 HD2 ARG A 703 -2.039 1.747 14.684 1.00 0.00 H new ATOM 0 HD3 ARG A 703 -1.115 0.849 13.496 1.00 0.00 H new ATOM 0 HE ARG A 703 0.469 1.408 15.864 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -2.036 -0.683 14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -1.664 -2.026 15.595 1.00 0.00 H new ATOM 0 HH21 ARG A 703 0.938 -0.324 17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 703 0.011 -1.824 17.142 1.00 0.00 H new ATOM 307 N TYR A 704 0.812 4.212 10.250 1.00 0.00 N ATOM 308 CA TYR A 704 2.022 3.854 9.521 1.00 0.00 C ATOM 309 C TYR A 704 3.003 5.021 9.498 1.00 0.00 C ATOM 310 O TYR A 704 4.213 4.831 9.629 1.00 0.00 O ATOM 311 CB TYR A 704 1.677 3.446 8.086 1.00 0.00 C ATOM 312 CG TYR A 704 1.074 2.067 7.964 1.00 0.00 C ATOM 313 CD1 TYR A 704 1.724 0.960 8.495 1.00 0.00 C ATOM 314 CD2 TYR A 704 -0.138 1.867 7.309 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.187 -0.305 8.379 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.679 0.604 7.189 1.00 0.00 C ATOM 317 CZ TYR A 704 -0.013 -0.479 7.726 1.00 0.00 C ATOM 318 OH TYR A 704 -0.552 -1.739 7.614 1.00 0.00 O ATOM 0 H TYR A 704 -0.017 4.323 9.666 1.00 0.00 H new ATOM 0 HA TYR A 704 2.488 3.012 10.032 1.00 0.00 H new ATOM 0 HB2 TYR A 704 0.980 4.174 7.671 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.582 3.490 7.480 1.00 0.00 H new ATOM 0 HD1 TYR A 704 2.666 1.092 9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.662 2.713 6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 704 1.705 -1.155 8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.620 0.463 6.677 1.00 0.00 H new ATOM 0 HH TYR A 704 -0.281 -2.280 8.385 1.00 0.00 H new ATOM 328 N GLY A 705 2.464 6.227 9.342 1.00 0.00 N ATOM 329 CA GLY A 705 3.283 7.427 9.306 1.00 0.00 C ATOM 330 C GLY A 705 4.541 7.286 8.460 1.00 0.00 C ATOM 331 O GLY A 705 5.629 7.626 8.923 1.00 0.00 O ATOM 0 H GLY A 705 1.463 6.395 9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 705 2.686 8.252 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 705 3.569 7.692 10.324 1.00 0.00 H new ATOM 335 N PRO A 706 4.437 6.788 7.209 1.00 0.00 N ATOM 336 CA PRO A 706 5.587 6.629 6.332 1.00 0.00 C ATOM 337 C PRO A 706 5.829 7.861 5.467 1.00 0.00 C ATOM 338 O PRO A 706 6.793 8.597 5.680 1.00 0.00 O ATOM 339 CB PRO A 706 5.193 5.429 5.476 1.00 0.00 C ATOM 340 CG PRO A 706 3.696 5.456 5.414 1.00 0.00 C ATOM 341 CD PRO A 706 3.202 6.330 6.549 1.00 0.00 C ATOM 0 HA PRO A 706 6.518 6.492 6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.628 5.498 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.551 4.498 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.360 5.850 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.292 4.448 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 706 2.612 7.169 6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.566 5.771 7.236 1.00 0.00 H new ATOM 349 N ALA A 707 4.952 8.075 4.490 1.00 0.00 N ATOM 350 CA ALA A 707 5.060 9.222 3.601 1.00 0.00 C ATOM 351 C ALA A 707 6.375 9.215 2.827 1.00 0.00 C ATOM 352 O ALA A 707 7.389 9.725 3.304 1.00 0.00 O ATOM 353 CB ALA A 707 4.924 10.507 4.400 1.00 0.00 C ATOM 0 H ALA A 707 4.157 7.466 4.296 1.00 0.00 H new ATOM 0 HA ALA A 707 4.252 9.161 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 707 5.006 11.363 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.954 10.526 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 707 5.715 10.556 5.148 1.00 0.00 H new ATOM 359 N LEU A 708 6.352 8.631 1.633 1.00 0.00 N ATOM 360 CA LEU A 708 7.539 8.576 0.788 1.00 0.00 C ATOM 361 C LEU A 708 7.160 8.595 -0.689 1.00 0.00 C ATOM 362 O LEU A 708 5.993 8.767 -1.038 1.00 0.00 O ATOM 363 CB LEU A 708 8.396 7.345 1.109 1.00 0.00 C ATOM 364 CG LEU A 708 7.644 6.023 1.285 1.00 0.00 C ATOM 365 CD1 LEU A 708 6.890 5.653 0.020 1.00 0.00 C ATOM 366 CD2 LEU A 708 8.619 4.918 1.659 1.00 0.00 C ATOM 0 H LEU A 708 5.526 8.190 1.230 1.00 0.00 H new ATOM 0 HA LEU A 708 8.134 9.464 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 708 9.127 7.219 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 708 8.954 7.546 2.023 1.00 0.00 H new ATOM 0 HG LEU A 708 6.917 6.145 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 708 6.365 4.710 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 708 6.169 6.436 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 708 7.594 5.547 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 708 8.077 3.981 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 708 9.362 4.806 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 708 9.118 5.174 2.593 1.00 0.00 H new ATOM 378 N SER A 709 8.155 8.417 -1.549 1.00 0.00 N ATOM 379 CA SER A 709 7.928 8.423 -2.987 1.00 0.00 C ATOM 380 C SER A 709 7.745 7.008 -3.525 1.00 0.00 C ATOM 381 O SER A 709 8.149 6.034 -2.891 1.00 0.00 O ATOM 382 CB SER A 709 9.094 9.108 -3.695 1.00 0.00 C ATOM 383 OG SER A 709 8.843 9.241 -5.084 1.00 0.00 O ATOM 0 H SER A 709 9.126 8.267 -1.275 1.00 0.00 H new ATOM 0 HA SER A 709 7.010 8.978 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.261 10.092 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 709 10.006 8.531 -3.541 1.00 0.00 H new ATOM 0 HG SER A 709 9.604 9.684 -5.513 1.00 0.00 H new ATOM 389 N ILE A 710 7.131 6.909 -4.699 1.00 0.00 N ATOM 390 CA ILE A 710 6.884 5.620 -5.337 1.00 0.00 C ATOM 391 C ILE A 710 8.182 4.858 -5.564 1.00 0.00 C ATOM 392 O ILE A 710 8.258 3.653 -5.332 1.00 0.00 O ATOM 393 CB ILE A 710 6.163 5.795 -6.690 1.00 0.00 C ATOM 394 CG1 ILE A 710 4.662 5.991 -6.479 1.00 0.00 C ATOM 395 CG2 ILE A 710 6.417 4.599 -7.595 1.00 0.00 C ATOM 396 CD1 ILE A 710 4.315 7.100 -5.510 1.00 0.00 C ATOM 0 H ILE A 710 6.793 7.711 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 710 6.247 5.050 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 710 6.564 6.685 -7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 710 4.195 6.204 -7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.232 5.058 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 710 5.899 4.744 -8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 710 7.487 4.501 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.047 3.694 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.232 7.175 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 710 4.750 6.881 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 710 4.713 8.045 -5.881 1.00 0.00 H new ATOM 408 N ASN A 711 9.196 5.566 -6.039 1.00 0.00 N ATOM 409 CA ASN A 711 10.488 4.955 -6.300 1.00 0.00 C ATOM 410 C ASN A 711 10.997 4.236 -5.055 1.00 0.00 C ATOM 411 O ASN A 711 11.848 3.348 -5.134 1.00 0.00 O ATOM 412 CB ASN A 711 11.490 6.020 -6.748 1.00 0.00 C ATOM 413 CG ASN A 711 12.875 5.455 -7.003 1.00 0.00 C ATOM 414 OD1 ASN A 711 13.882 6.123 -6.771 1.00 0.00 O ATOM 415 ND2 ASN A 711 12.934 4.222 -7.493 1.00 0.00 N ATOM 0 H ASN A 711 9.148 6.563 -6.251 1.00 0.00 H new ATOM 0 HA ASN A 711 10.375 4.222 -7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 711 11.124 6.497 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 711 11.554 6.796 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 711 13.839 3.795 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 711 12.075 3.702 -7.671 1.00 0.00 H new ATOM 422 N GLU A 712 10.458 4.629 -3.907 1.00 0.00 N ATOM 423 CA GLU A 712 10.831 4.034 -2.626 1.00 0.00 C ATOM 424 C GLU A 712 9.802 2.990 -2.218 1.00 0.00 C ATOM 425 O GLU A 712 10.085 2.088 -1.434 1.00 0.00 O ATOM 426 CB GLU A 712 10.923 5.114 -1.548 1.00 0.00 C ATOM 427 CG GLU A 712 11.248 6.490 -2.099 1.00 0.00 C ATOM 428 CD GLU A 712 12.650 6.573 -2.672 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.588 6.878 -1.904 1.00 0.00 O ATOM 430 OE2 GLU A 712 12.811 6.334 -3.886 1.00 0.00 O ATOM 0 H GLU A 712 9.754 5.364 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 712 11.805 3.556 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 712 9.976 5.161 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.688 4.831 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.527 6.746 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 712 11.139 7.230 -1.306 1.00 0.00 H new ATOM 437 N LEU A 713 8.598 3.149 -2.751 1.00 0.00 N ATOM 438 CA LEU A 713 7.488 2.241 -2.480 1.00 0.00 C ATOM 439 C LEU A 713 7.880 0.781 -2.698 1.00 0.00 C ATOM 440 O LEU A 713 7.393 -0.110 -2.005 1.00 0.00 O ATOM 441 CB LEU A 713 6.318 2.603 -3.394 1.00 0.00 C ATOM 442 CG LEU A 713 4.936 2.658 -2.741 1.00 0.00 C ATOM 443 CD1 LEU A 713 4.974 3.427 -1.435 1.00 0.00 C ATOM 444 CD2 LEU A 713 3.952 3.312 -3.688 1.00 0.00 C ATOM 0 H LEU A 713 8.362 3.912 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 713 7.204 2.350 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.523 3.575 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.283 1.878 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 713 4.621 1.637 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 713 3.977 3.448 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 713 5.664 2.940 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 713 5.309 4.447 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 713 2.968 3.350 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.285 4.325 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 713 3.894 2.733 -4.609 1.00 0.00 H new ATOM 456 N SER A 714 8.757 0.539 -3.665 1.00 0.00 N ATOM 457 CA SER A 714 9.194 -0.819 -3.970 1.00 0.00 C ATOM 458 C SER A 714 10.042 -1.397 -2.839 1.00 0.00 C ATOM 459 O SER A 714 10.162 -2.614 -2.702 1.00 0.00 O ATOM 460 CB SER A 714 9.975 -0.840 -5.283 1.00 0.00 C ATOM 461 OG SER A 714 11.100 0.019 -5.224 1.00 0.00 O ATOM 0 H SER A 714 9.178 1.261 -4.249 1.00 0.00 H new ATOM 0 HA SER A 714 8.306 -1.443 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 714 10.302 -1.857 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 714 9.323 -0.534 -6.102 1.00 0.00 H new ATOM 0 HG SER A 714 11.583 -0.015 -6.076 1.00 0.00 H new ATOM 467 N ASN A 715 10.626 -0.519 -2.030 1.00 0.00 N ATOM 468 CA ASN A 715 11.459 -0.944 -0.907 1.00 0.00 C ATOM 469 C ASN A 715 10.606 -1.533 0.216 1.00 0.00 C ATOM 470 O ASN A 715 11.125 -2.178 1.127 1.00 0.00 O ATOM 471 CB ASN A 715 12.280 0.233 -0.378 1.00 0.00 C ATOM 472 CG ASN A 715 13.196 0.821 -1.434 1.00 0.00 C ATOM 473 OD1 ASN A 715 13.661 0.119 -2.331 1.00 0.00 O ATOM 474 ND2 ASN A 715 13.459 2.119 -1.333 1.00 0.00 N ATOM 0 H ASN A 715 10.539 0.492 -2.130 1.00 0.00 H new ATOM 0 HA ASN A 715 12.137 -1.718 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 715 11.606 1.008 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 715 12.876 -0.097 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 715 14.068 2.571 -2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 715 13.052 2.664 -0.573 1.00 0.00 H new ATOM 481 N LEU A 716 9.298 -1.306 0.141 1.00 0.00 N ATOM 482 CA LEU A 716 8.364 -1.816 1.144 1.00 0.00 C ATOM 483 C LEU A 716 8.406 -3.338 1.209 1.00 0.00 C ATOM 484 O LEU A 716 9.208 -3.984 0.535 1.00 0.00 O ATOM 485 CB LEU A 716 6.937 -1.379 0.812 1.00 0.00 C ATOM 486 CG LEU A 716 6.662 0.121 0.879 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.340 0.442 0.206 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.650 0.596 2.323 1.00 0.00 C ATOM 0 H LEU A 716 8.858 -0.770 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 716 8.664 -1.408 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.696 -1.728 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 716 6.255 -1.884 1.497 1.00 0.00 H new ATOM 0 HG LEU A 716 7.459 0.644 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.155 1.515 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.379 0.133 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.535 -0.091 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.453 1.668 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 716 5.871 0.068 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.618 0.393 2.781 1.00 0.00 H new ATOM 500 N ALA A 717 7.526 -3.899 2.026 1.00 0.00 N ATOM 501 CA ALA A 717 7.424 -5.340 2.179 1.00 0.00 C ATOM 502 C ALA A 717 6.039 -5.802 1.748 1.00 0.00 C ATOM 503 O ALA A 717 5.033 -5.268 2.212 1.00 0.00 O ATOM 504 CB ALA A 717 7.701 -5.745 3.619 1.00 0.00 C ATOM 0 H ALA A 717 6.867 -3.370 2.598 1.00 0.00 H new ATOM 0 HA ALA A 717 8.170 -5.819 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.620 -6.828 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.706 -5.430 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 717 6.975 -5.268 4.277 1.00 0.00 H new ATOM 510 N LYS A 718 5.987 -6.782 0.853 1.00 0.00 N ATOM 511 CA LYS A 718 4.713 -7.287 0.361 1.00 0.00 C ATOM 512 C LYS A 718 3.769 -7.604 1.514 1.00 0.00 C ATOM 513 O LYS A 718 4.199 -8.032 2.586 1.00 0.00 O ATOM 514 CB LYS A 718 4.922 -8.524 -0.505 1.00 0.00 C ATOM 515 CG LYS A 718 4.168 -8.480 -1.824 1.00 0.00 C ATOM 516 CD LYS A 718 4.694 -7.383 -2.736 1.00 0.00 C ATOM 517 CE LYS A 718 3.958 -7.359 -4.067 1.00 0.00 C ATOM 518 NZ LYS A 718 4.060 -8.660 -4.783 1.00 0.00 N ATOM 0 H LYS A 718 6.808 -7.240 0.456 1.00 0.00 H new ATOM 0 HA LYS A 718 4.258 -6.507 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 718 5.987 -8.639 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 718 4.608 -9.405 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 718 4.256 -9.444 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 718 3.108 -8.316 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 718 4.587 -6.417 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 718 5.759 -7.535 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 718 2.908 -7.120 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 718 4.368 -6.567 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 3.775 -8.534 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 5.042 -9.001 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 3.434 -9.356 -4.329 1.00 0.00 H new ATOM 532 N GLY A 719 2.483 -7.390 1.280 1.00 0.00 N ATOM 533 CA GLY A 719 1.484 -7.635 2.302 1.00 0.00 C ATOM 534 C GLY A 719 1.301 -6.438 3.213 1.00 0.00 C ATOM 535 O GLY A 719 0.392 -6.410 4.044 1.00 0.00 O ATOM 0 H GLY A 719 2.110 -7.048 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 719 0.533 -7.879 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.777 -8.501 2.895 1.00 0.00 H new ATOM 539 N GLU A 720 2.171 -5.445 3.050 1.00 0.00 N ATOM 540 CA GLU A 720 2.121 -4.230 3.858 1.00 0.00 C ATOM 541 C GLU A 720 1.601 -3.050 3.048 1.00 0.00 C ATOM 542 O GLU A 720 1.441 -3.136 1.825 1.00 0.00 O ATOM 543 CB GLU A 720 3.509 -3.898 4.409 1.00 0.00 C ATOM 544 CG GLU A 720 4.013 -4.892 5.441 1.00 0.00 C ATOM 545 CD GLU A 720 3.100 -4.998 6.646 1.00 0.00 C ATOM 546 OE1 GLU A 720 3.219 -4.153 7.558 1.00 0.00 O ATOM 547 OE2 GLU A 720 2.266 -5.928 6.679 1.00 0.00 O ATOM 0 H GLU A 720 2.923 -5.459 2.361 1.00 0.00 H new ATOM 0 HA GLU A 720 1.436 -4.412 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 720 4.218 -3.857 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.484 -2.905 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 720 4.110 -5.873 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 720 5.009 -4.595 5.770 1.00 0.00 H new ATOM 554 N LYS A 721 1.331 -1.951 3.744 1.00 0.00 N ATOM 555 CA LYS A 721 0.833 -0.742 3.104 1.00 0.00 C ATOM 556 C LYS A 721 1.803 0.417 3.281 1.00 0.00 C ATOM 557 O LYS A 721 2.857 0.268 3.899 1.00 0.00 O ATOM 558 CB LYS A 721 -0.528 -0.358 3.678 1.00 0.00 C ATOM 559 CG LYS A 721 -1.678 -1.184 3.131 1.00 0.00 C ATOM 560 CD LYS A 721 -2.658 -1.553 4.226 1.00 0.00 C ATOM 561 CE LYS A 721 -2.042 -2.551 5.194 1.00 0.00 C ATOM 562 NZ LYS A 721 -2.997 -2.955 6.262 1.00 0.00 N ATOM 0 H LYS A 721 1.450 -1.874 4.754 1.00 0.00 H new ATOM 0 HA LYS A 721 0.733 -0.951 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.498 -0.466 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.717 0.695 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -2.194 -0.623 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.289 -2.090 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -2.960 -0.656 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.559 -1.978 3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.717 -3.435 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -1.153 -2.114 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.605 -2.702 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.903 -2.463 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -3.151 -3.983 6.219 1.00 0.00 H new ATOM 576 N ALA A 722 1.435 1.575 2.735 1.00 0.00 N ATOM 577 CA ALA A 722 2.275 2.768 2.845 1.00 0.00 C ATOM 578 C ALA A 722 1.575 3.993 2.277 1.00 0.00 C ATOM 579 O ALA A 722 1.161 3.998 1.118 1.00 0.00 O ATOM 580 CB ALA A 722 3.602 2.550 2.135 1.00 0.00 C ATOM 0 H ALA A 722 0.568 1.713 2.216 1.00 0.00 H new ATOM 0 HA ALA A 722 2.462 2.945 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.215 3.447 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 722 4.123 1.707 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.421 2.340 1.081 1.00 0.00 H new ATOM 586 N ASN A 723 1.497 5.046 3.086 1.00 0.00 N ATOM 587 CA ASN A 723 0.837 6.286 2.687 1.00 0.00 C ATOM 588 C ASN A 723 1.670 7.092 1.704 1.00 0.00 C ATOM 589 O ASN A 723 2.740 7.600 2.043 1.00 0.00 O ATOM 590 CB ASN A 723 0.523 7.137 3.918 1.00 0.00 C ATOM 591 CG ASN A 723 -0.513 6.495 4.816 1.00 0.00 C ATOM 592 OD1 ASN A 723 -1.709 6.757 4.689 1.00 0.00 O ATOM 593 ND2 ASN A 723 -0.059 5.647 5.731 1.00 0.00 N ATOM 0 H ASN A 723 1.886 5.065 4.029 1.00 0.00 H new ATOM 0 HA ASN A 723 -0.089 6.009 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.439 7.302 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.166 8.116 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -0.710 5.183 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 723 0.941 5.459 5.801 1.00 0.00 H new ATOM 600 N VAL A 724 1.162 7.205 0.482 1.00 0.00 N ATOM 601 CA VAL A 724 1.829 7.969 -0.554 1.00 0.00 C ATOM 602 C VAL A 724 0.870 8.951 -1.211 1.00 0.00 C ATOM 603 O VAL A 724 -0.296 8.635 -1.449 1.00 0.00 O ATOM 604 CB VAL A 724 2.467 7.068 -1.625 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.722 6.424 -1.076 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.490 6.010 -2.108 1.00 0.00 C ATOM 0 H VAL A 724 0.286 6.773 0.188 1.00 0.00 H new ATOM 0 HA VAL A 724 2.630 8.523 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 724 2.732 7.688 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.168 5.787 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.433 7.199 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.470 5.821 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.970 5.389 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.184 5.387 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.614 6.494 -2.539 1.00 0.00 H new ATOM 616 N LEU A 725 1.370 10.149 -1.490 1.00 0.00 N ATOM 617 CA LEU A 725 0.563 11.190 -2.113 1.00 0.00 C ATOM 618 C LEU A 725 0.489 10.989 -3.621 1.00 0.00 C ATOM 619 O LEU A 725 1.495 10.699 -4.268 1.00 0.00 O ATOM 620 CB LEU A 725 1.131 12.575 -1.799 1.00 0.00 C ATOM 621 CG LEU A 725 2.506 12.583 -1.126 1.00 0.00 C ATOM 622 CD1 LEU A 725 3.199 13.915 -1.353 1.00 0.00 C ATOM 623 CD2 LEU A 725 2.370 12.297 0.363 1.00 0.00 C ATOM 0 H LEU A 725 2.333 10.423 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.444 11.122 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.197 13.141 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.427 13.100 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 725 3.116 11.798 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 725 4.175 13.905 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 725 3.327 14.081 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 725 2.593 14.717 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 725 3.356 12.306 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.745 13.061 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.911 11.318 0.505 1.00 0.00 H new ATOM 635 N ILE A 726 -0.708 11.145 -4.175 1.00 0.00 N ATOM 636 CA ILE A 726 -0.907 10.979 -5.611 1.00 0.00 C ATOM 637 C ILE A 726 -0.974 12.327 -6.319 1.00 0.00 C ATOM 638 O ILE A 726 -1.151 12.394 -7.536 1.00 0.00 O ATOM 639 CB ILE A 726 -2.185 10.181 -5.934 1.00 0.00 C ATOM 640 CG1 ILE A 726 -3.369 10.662 -5.077 1.00 0.00 C ATOM 641 CG2 ILE A 726 -1.940 8.690 -5.750 1.00 0.00 C ATOM 642 CD1 ILE A 726 -3.429 10.052 -3.689 1.00 0.00 C ATOM 0 H ILE A 726 -1.552 11.385 -3.655 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.046 10.418 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 726 -2.445 10.356 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -3.315 11.746 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -4.297 10.434 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -2.852 8.140 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -1.142 8.367 -6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -1.650 8.494 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -4.294 10.447 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -3.517 8.969 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -2.520 10.302 -3.142 1.00 0.00 H new ATOM 654 N GLY A 727 -0.829 13.395 -5.546 1.00 0.00 N ATOM 655 CA GLY A 727 -0.871 14.735 -6.100 1.00 0.00 C ATOM 656 C GLY A 727 -0.594 15.795 -5.054 1.00 0.00 C ATOM 657 O GLY A 727 0.355 15.677 -4.278 1.00 0.00 O ATOM 0 H GLY A 727 -0.682 13.357 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -0.138 14.818 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -1.851 14.912 -6.544 1.00 0.00 H new ATOM 661 N GLN A 728 -1.424 16.833 -5.030 1.00 0.00 N ATOM 662 CA GLN A 728 -1.264 17.916 -4.067 1.00 0.00 C ATOM 663 C GLN A 728 -2.427 17.942 -3.080 1.00 0.00 C ATOM 664 O GLN A 728 -3.468 18.540 -3.350 1.00 0.00 O ATOM 665 CB GLN A 728 -1.166 19.261 -4.790 1.00 0.00 C ATOM 666 CG GLN A 728 0.044 19.375 -5.706 1.00 0.00 C ATOM 667 CD GLN A 728 1.349 19.475 -4.939 1.00 0.00 C ATOM 668 OE1 GLN A 728 1.801 20.569 -4.602 1.00 0.00 O ATOM 669 NE2 GLN A 728 1.964 18.332 -4.661 1.00 0.00 N ATOM 0 H GLN A 728 -2.213 16.947 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 728 -0.342 17.741 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 728 -2.071 19.415 -5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 728 -1.127 20.060 -4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 728 0.080 18.507 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 728 -0.068 20.253 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 728 1.554 17.447 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 728 2.846 18.339 -4.149 1.00 0.00 H new ATOM 678 N GLY A 729 -2.244 17.284 -1.939 1.00 0.00 N ATOM 679 CA GLY A 729 -3.288 17.248 -0.930 1.00 0.00 C ATOM 680 C GLY A 729 -4.111 15.976 -0.982 1.00 0.00 C ATOM 681 O GLY A 729 -5.341 16.025 -0.987 1.00 0.00 O ATOM 0 H GLY A 729 -1.394 16.776 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -2.836 17.343 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -3.946 18.107 -1.063 1.00 0.00 H new ATOM 685 N ASP A 730 -3.433 14.833 -1.020 1.00 0.00 N ATOM 686 CA ASP A 730 -4.108 13.542 -1.068 1.00 0.00 C ATOM 687 C ASP A 730 -3.180 12.427 -0.597 1.00 0.00 C ATOM 688 O ASP A 730 -2.447 11.832 -1.392 1.00 0.00 O ATOM 689 CB ASP A 730 -4.606 13.254 -2.484 1.00 0.00 C ATOM 690 CG ASP A 730 -3.630 13.722 -3.543 1.00 0.00 C ATOM 691 OD1 ASP A 730 -2.472 13.259 -3.531 1.00 0.00 O ATOM 692 OD2 ASP A 730 -4.025 14.555 -4.387 1.00 0.00 O ATOM 0 H ASP A 730 -2.415 14.775 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 730 -4.965 13.581 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -4.775 12.183 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -5.567 13.746 -2.636 1.00 0.00 H new ATOM 697 N VAL A 731 -3.217 12.156 0.706 1.00 0.00 N ATOM 698 CA VAL A 731 -2.385 11.122 1.301 1.00 0.00 C ATOM 699 C VAL A 731 -3.163 9.826 1.504 1.00 0.00 C ATOM 700 O VAL A 731 -4.056 9.751 2.347 1.00 0.00 O ATOM 701 CB VAL A 731 -1.816 11.580 2.658 1.00 0.00 C ATOM 702 CG1 VAL A 731 -0.918 10.508 3.252 1.00 0.00 C ATOM 703 CG2 VAL A 731 -1.064 12.894 2.506 1.00 0.00 C ATOM 0 H VAL A 731 -3.819 12.643 1.370 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.565 10.940 0.606 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.648 11.742 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.526 10.851 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.492 9.594 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 731 -0.090 10.309 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.669 13.202 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 731 -0.241 12.763 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -1.742 13.660 2.131 1.00 0.00 H new ATOM 713 N VAL A 732 -2.814 8.810 0.724 1.00 0.00 N ATOM 714 CA VAL A 732 -3.463 7.509 0.817 1.00 0.00 C ATOM 715 C VAL A 732 -2.421 6.399 0.757 1.00 0.00 C ATOM 716 O VAL A 732 -1.457 6.490 -0.001 1.00 0.00 O ATOM 717 CB VAL A 732 -4.488 7.302 -0.320 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.540 8.400 -0.304 1.00 0.00 C ATOM 719 CG2 VAL A 732 -3.793 7.245 -1.672 1.00 0.00 C ATOM 0 H VAL A 732 -2.081 8.863 0.017 1.00 0.00 H new ATOM 0 HA VAL A 732 -3.992 7.474 1.770 1.00 0.00 H new ATOM 0 HB VAL A 732 -4.988 6.348 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.251 8.234 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -6.066 8.386 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.057 9.368 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -4.535 7.099 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.260 8.179 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -3.085 6.416 -1.683 1.00 0.00 H new ATOM 729 N LEU A 733 -2.616 5.349 1.545 1.00 0.00 N ATOM 730 CA LEU A 733 -1.671 4.241 1.563 1.00 0.00 C ATOM 731 C LEU A 733 -2.006 3.233 0.484 1.00 0.00 C ATOM 732 O LEU A 733 -3.138 3.174 0.004 1.00 0.00 O ATOM 733 CB LEU A 733 -1.615 3.538 2.930 1.00 0.00 C ATOM 734 CG LEU A 733 -2.961 3.193 3.561 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.808 2.059 4.562 1.00 0.00 C ATOM 736 CD2 LEU A 733 -3.551 4.409 4.237 1.00 0.00 C ATOM 0 H LEU A 733 -3.412 5.242 2.174 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.687 4.668 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -1.041 2.618 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -1.065 4.176 3.622 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.637 2.868 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.779 1.828 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.419 1.176 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -2.116 2.359 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -4.511 4.148 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.872 4.758 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.696 5.200 3.501 1.00 0.00 H new ATOM 748 N VAL A 734 -1.004 2.466 0.080 1.00 0.00 N ATOM 749 CA VAL A 734 -1.199 1.456 -0.935 1.00 0.00 C ATOM 750 C VAL A 734 -1.067 0.083 -0.343 1.00 0.00 C ATOM 751 O VAL A 734 -0.523 -0.075 0.742 1.00 0.00 O ATOM 752 CB VAL A 734 -0.210 1.579 -2.094 1.00 0.00 C ATOM 753 CG1 VAL A 734 -0.980 1.882 -3.350 1.00 0.00 C ATOM 754 CG2 VAL A 734 0.842 2.641 -1.819 1.00 0.00 C ATOM 0 H VAL A 734 -0.052 2.528 0.442 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.204 1.612 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 734 0.326 0.638 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.289 1.973 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.685 1.075 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.525 2.818 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.528 2.701 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.356 3.606 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.397 2.378 -0.919 1.00 0.00 H new ATOM 764 N MET A 735 -1.553 -0.907 -1.069 1.00 0.00 N ATOM 765 CA MET A 735 -1.499 -2.276 -0.605 1.00 0.00 C ATOM 766 C MET A 735 -0.822 -3.178 -1.621 1.00 0.00 C ATOM 767 O MET A 735 -1.425 -3.571 -2.619 1.00 0.00 O ATOM 768 CB MET A 735 -2.907 -2.772 -0.326 1.00 0.00 C ATOM 769 CG MET A 735 -3.026 -3.548 0.972 1.00 0.00 C ATOM 770 SD MET A 735 -2.802 -5.324 0.763 1.00 0.00 S ATOM 771 CE MET A 735 -1.018 -5.434 0.701 1.00 0.00 C ATOM 0 H MET A 735 -1.989 -0.786 -1.983 1.00 0.00 H new ATOM 0 HA MET A 735 -0.910 -2.305 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.585 -1.919 -0.294 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.231 -3.406 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.285 -3.176 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.006 -3.361 1.410 1.00 0.00 H new ATOM 0 HE1 MET A 735 -0.694 -6.358 1.180 1.00 0.00 H new ATOM 0 HE2 MET A 735 -0.689 -5.429 -0.338 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.583 -4.582 1.223 1.00 0.00 H new ATOM 781 N LYS A 736 0.436 -3.504 -1.361 1.00 0.00 N ATOM 782 CA LYS A 736 1.188 -4.373 -2.251 1.00 0.00 C ATOM 783 C LYS A 736 0.953 -5.835 -1.881 1.00 0.00 C ATOM 784 O LYS A 736 1.822 -6.484 -1.303 1.00 0.00 O ATOM 785 CB LYS A 736 2.675 -4.030 -2.190 1.00 0.00 C ATOM 786 CG LYS A 736 3.186 -3.769 -0.781 1.00 0.00 C ATOM 787 CD LYS A 736 4.280 -2.713 -0.759 1.00 0.00 C ATOM 788 CE LYS A 736 5.372 -2.988 -1.784 1.00 0.00 C ATOM 789 NZ LYS A 736 6.043 -4.297 -1.548 1.00 0.00 N ATOM 0 H LYS A 736 0.955 -3.181 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 736 0.843 -4.218 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 736 3.246 -4.849 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 736 2.861 -3.148 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.358 -3.447 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.569 -4.697 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 736 3.841 -1.735 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 736 4.722 -2.672 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 736 4.941 -2.977 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 736 6.113 -2.189 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 7.039 -4.136 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 5.565 -4.797 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 5.995 -4.873 -2.413 1.00 0.00 H new ATOM 803 N ARG A 737 -0.241 -6.334 -2.216 1.00 0.00 N ATOM 804 CA ARG A 737 -0.637 -7.713 -1.909 1.00 0.00 C ATOM 805 C ARG A 737 0.515 -8.686 -2.042 1.00 0.00 C ATOM 806 O ARG A 737 1.346 -8.563 -2.940 1.00 0.00 O ATOM 807 CB ARG A 737 -1.757 -8.181 -2.842 1.00 0.00 C ATOM 808 CG ARG A 737 -3.072 -8.454 -2.130 1.00 0.00 C ATOM 809 CD ARG A 737 -2.974 -9.679 -1.233 1.00 0.00 C ATOM 810 NE ARG A 737 -4.255 -10.012 -0.617 1.00 0.00 N ATOM 811 CZ ARG A 737 -4.570 -11.230 -0.185 1.00 0.00 C ATOM 812 NH1 ARG A 737 -3.701 -12.224 -0.301 1.00 0.00 N ATOM 813 NH2 ARG A 737 -5.755 -11.453 0.364 1.00 0.00 N ATOM 0 H ARG A 737 -0.957 -5.797 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.979 -7.703 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -1.920 -7.423 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.436 -9.088 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -3.351 -7.586 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -3.862 -8.603 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -2.622 -10.529 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -2.233 -9.499 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 737 -4.947 -9.270 -0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 737 -2.787 -12.056 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 737 -3.946 -13.157 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -6.426 -10.691 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 737 -5.996 -12.387 0.695 1.00 0.00 H new ATOM 827 N LYS A 738 0.551 -9.665 -1.146 1.00 0.00 N ATOM 828 CA LYS A 738 1.576 -10.688 -1.201 1.00 0.00 C ATOM 829 C LYS A 738 1.392 -11.489 -2.481 1.00 0.00 C ATOM 830 O LYS A 738 2.207 -12.346 -2.826 1.00 0.00 O ATOM 831 CB LYS A 738 1.502 -11.602 0.024 1.00 0.00 C ATOM 832 CG LYS A 738 0.127 -12.205 0.262 1.00 0.00 C ATOM 833 CD LYS A 738 0.106 -13.045 1.527 1.00 0.00 C ATOM 834 CE LYS A 738 -1.272 -13.632 1.789 1.00 0.00 C ATOM 835 NZ LYS A 738 -1.728 -14.501 0.669 1.00 0.00 N ATOM 0 H LYS A 738 -0.114 -9.768 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 738 2.560 -10.219 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 738 2.226 -12.408 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 738 1.796 -11.034 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -0.614 -11.409 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -0.155 -12.821 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 738 0.835 -13.851 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 738 0.408 -12.432 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 738 -1.250 -14.211 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 738 -1.989 -12.824 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 -2.615 -14.975 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 -1.887 -13.920 -0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 -1.001 -15.216 0.466 1.00 0.00 H new ATOM 849 N ARG A 739 0.293 -11.191 -3.178 1.00 0.00 N ATOM 850 CA ARG A 739 -0.035 -11.845 -4.431 1.00 0.00 C ATOM 851 C ARG A 739 0.563 -11.084 -5.610 1.00 0.00 C ATOM 852 O ARG A 739 0.549 -9.853 -5.637 1.00 0.00 O ATOM 853 CB ARG A 739 -1.553 -11.955 -4.589 1.00 0.00 C ATOM 854 CG ARG A 739 -1.987 -12.572 -5.908 1.00 0.00 C ATOM 855 CD ARG A 739 -3.460 -12.944 -5.892 1.00 0.00 C ATOM 856 NE ARG A 739 -3.734 -14.043 -4.968 1.00 0.00 N ATOM 857 CZ ARG A 739 -4.916 -14.250 -4.393 1.00 0.00 C ATOM 858 NH1 ARG A 739 -5.929 -13.431 -4.636 1.00 0.00 N ATOM 859 NH2 ARG A 739 -5.084 -15.278 -3.572 1.00 0.00 N ATOM 0 H ARG A 739 -0.388 -10.491 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 739 0.392 -12.848 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 739 -1.952 -12.553 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 739 -1.991 -10.961 -4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 739 -1.797 -11.869 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 739 -1.389 -13.461 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 739 -4.051 -12.074 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 739 -3.774 -13.227 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 739 -2.975 -14.689 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 739 -5.804 -12.638 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 739 -6.833 -13.593 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 739 -4.307 -15.910 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 739 -5.990 -15.436 -3.132 1.00 0.00 H new ATOM 873 N ASP A 740 1.090 -11.822 -6.581 1.00 0.00 N ATOM 874 CA ASP A 740 1.695 -11.212 -7.760 1.00 0.00 C ATOM 875 C ASP A 740 0.703 -11.150 -8.917 1.00 0.00 C ATOM 876 O ASP A 740 0.305 -12.179 -9.463 1.00 0.00 O ATOM 877 CB ASP A 740 2.941 -11.993 -8.181 1.00 0.00 C ATOM 878 CG ASP A 740 3.992 -12.040 -7.088 1.00 0.00 C ATOM 879 OD1 ASP A 740 4.713 -11.035 -6.914 1.00 0.00 O ATOM 880 OD2 ASP A 740 4.093 -13.081 -6.407 1.00 0.00 O ATOM 0 H ASP A 740 1.111 -12.842 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 740 1.982 -10.193 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 740 2.655 -13.010 -8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 740 3.369 -11.535 -9.073 1.00 0.00 H new ATOM 885 N SER A 741 0.307 -9.935 -9.283 1.00 0.00 N ATOM 886 CA SER A 741 -0.638 -9.731 -10.377 1.00 0.00 C ATOM 887 C SER A 741 -0.156 -8.625 -11.311 1.00 0.00 C ATOM 888 O SER A 741 -0.829 -8.291 -12.286 1.00 0.00 O ATOM 889 CB SER A 741 -2.023 -9.384 -9.827 1.00 0.00 C ATOM 890 OG SER A 741 -2.499 -10.403 -8.964 1.00 0.00 O ATOM 0 H SER A 741 0.626 -9.075 -8.837 1.00 0.00 H new ATOM 0 HA SER A 741 -0.704 -10.659 -10.945 1.00 0.00 H new ATOM 0 HB2 SER A 741 -1.977 -8.438 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 741 -2.722 -9.246 -10.652 1.00 0.00 H new ATOM 0 HG SER A 741 -3.385 -10.157 -8.625 1.00 0.00 H new ATOM 896 N SER A 742 1.014 -8.063 -10.993 1.00 0.00 N ATOM 897 CA SER A 742 1.621 -6.988 -11.786 1.00 0.00 C ATOM 898 C SER A 742 0.913 -5.652 -11.559 1.00 0.00 C ATOM 899 O SER A 742 1.557 -4.606 -11.497 1.00 0.00 O ATOM 900 CB SER A 742 1.622 -7.337 -13.278 1.00 0.00 C ATOM 901 OG SER A 742 2.301 -8.558 -13.519 1.00 0.00 O ATOM 0 H SER A 742 1.566 -8.339 -10.181 1.00 0.00 H new ATOM 0 HA SER A 742 2.653 -6.886 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 742 0.596 -7.412 -13.637 1.00 0.00 H new ATOM 0 HB3 SER A 742 2.099 -6.535 -13.841 1.00 0.00 H new ATOM 0 HG SER A 742 2.285 -8.757 -14.478 1.00 0.00 H new ATOM 907 N ILE A 743 -0.412 -5.689 -11.438 1.00 0.00 N ATOM 908 CA ILE A 743 -1.196 -4.479 -11.221 1.00 0.00 C ATOM 909 C ILE A 743 -2.109 -4.632 -10.023 1.00 0.00 C ATOM 910 O ILE A 743 -2.497 -3.650 -9.390 1.00 0.00 O ATOM 911 CB ILE A 743 -2.040 -4.138 -12.459 1.00 0.00 C ATOM 912 CG1 ILE A 743 -3.085 -5.230 -12.707 1.00 0.00 C ATOM 913 CG2 ILE A 743 -1.140 -3.976 -13.671 1.00 0.00 C ATOM 914 CD1 ILE A 743 -4.052 -4.908 -13.825 1.00 0.00 C ATOM 0 H ILE A 743 -0.964 -6.545 -11.487 1.00 0.00 H new ATOM 0 HA ILE A 743 -0.493 -3.668 -11.034 1.00 0.00 H new ATOM 0 HB ILE A 743 -2.562 -3.197 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -2.573 -6.164 -12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -3.648 -5.396 -11.789 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -1.746 -3.734 -14.544 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -0.427 -3.171 -13.490 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -0.600 -4.906 -13.850 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -4.761 -5.728 -13.940 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -4.592 -3.992 -13.586 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -3.500 -4.772 -14.755 1.00 0.00 H new ATOM 926 N LEU A 744 -2.447 -5.874 -9.732 1.00 0.00 N ATOM 927 CA LEU A 744 -3.310 -6.202 -8.612 1.00 0.00 C ATOM 928 C LEU A 744 -4.715 -5.637 -8.796 1.00 0.00 C ATOM 929 O LEU A 744 -5.618 -6.333 -9.261 1.00 0.00 O ATOM 930 CB LEU A 744 -2.702 -5.708 -7.293 1.00 0.00 C ATOM 931 CG LEU A 744 -1.550 -6.553 -6.747 1.00 0.00 C ATOM 932 CD1 LEU A 744 -0.975 -5.921 -5.489 1.00 0.00 C ATOM 933 CD2 LEU A 744 -2.019 -7.973 -6.459 1.00 0.00 C ATOM 0 H LEU A 744 -2.131 -6.684 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 744 -3.393 -7.288 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -2.346 -4.688 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -3.490 -5.669 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 744 -0.766 -6.594 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -0.157 -6.536 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 744 -0.603 -4.923 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -1.753 -5.851 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -1.186 -8.560 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -2.821 -7.949 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -2.386 -8.428 -7.379 1.00 0.00 H new ATOM 945 N THR A 745 -4.891 -4.376 -8.427 1.00 0.00 N ATOM 946 CA THR A 745 -6.187 -3.710 -8.543 1.00 0.00 C ATOM 947 C THR A 745 -6.658 -3.644 -9.992 1.00 0.00 C ATOM 948 O THR A 745 -5.998 -4.157 -10.896 1.00 0.00 O ATOM 949 CB THR A 745 -6.142 -2.280 -7.975 1.00 0.00 C ATOM 950 OG1 THR A 745 -4.821 -1.976 -7.514 1.00 0.00 O ATOM 951 CG2 THR A 745 -7.137 -2.119 -6.833 1.00 0.00 C ATOM 0 H THR A 745 -4.151 -3.789 -8.043 1.00 0.00 H new ATOM 0 HA THR A 745 -6.889 -4.308 -7.962 1.00 0.00 H new ATOM 0 HB THR A 745 -6.414 -1.588 -8.772 1.00 0.00 H new ATOM 0 HG1 THR A 745 -4.809 -1.076 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 745 -7.087 -1.101 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 745 -8.144 -2.320 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 745 -6.892 -2.821 -6.036 1.00 0.00 H new ATOM 959 N ASP A 746 -7.806 -3.004 -10.204 1.00 0.00 N ATOM 960 CA ASP A 746 -8.371 -2.867 -11.541 1.00 0.00 C ATOM 961 C ASP A 746 -9.333 -1.683 -11.614 1.00 0.00 C ATOM 962 O ASP A 746 -9.772 -1.296 -12.696 1.00 0.00 O ATOM 963 CB ASP A 746 -9.096 -4.154 -11.943 1.00 0.00 C ATOM 964 CG ASP A 746 -10.224 -4.503 -10.990 1.00 0.00 C ATOM 965 OD1 ASP A 746 -11.350 -4.001 -11.193 1.00 0.00 O ATOM 966 OD2 ASP A 746 -9.980 -5.277 -10.041 1.00 0.00 O ATOM 0 H ASP A 746 -8.362 -2.573 -9.466 1.00 0.00 H new ATOM 0 HA ASP A 746 -7.551 -2.684 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -9.496 -4.043 -12.951 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -8.381 -4.976 -11.973 1.00 0.00 H new ATOM 971 N SER A 747 -9.655 -1.111 -10.457 1.00 0.00 N ATOM 972 CA SER A 747 -10.567 0.029 -10.397 1.00 0.00 C ATOM 973 C SER A 747 -10.266 0.913 -9.190 1.00 0.00 C ATOM 974 O SER A 747 -9.680 0.462 -8.207 1.00 0.00 O ATOM 975 CB SER A 747 -12.018 -0.454 -10.336 1.00 0.00 C ATOM 976 OG SER A 747 -12.355 -1.207 -11.488 1.00 0.00 O ATOM 0 H SER A 747 -9.300 -1.416 -9.551 1.00 0.00 H new ATOM 0 HA SER A 747 -10.422 0.620 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 747 -12.164 -1.063 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 747 -12.686 0.403 -10.250 1.00 0.00 H new ATOM 0 HG SER A 747 -12.022 -2.123 -11.389 1.00 0.00 H new ATOM 982 N GLN A 748 -10.673 2.177 -9.277 1.00 0.00 N ATOM 983 CA GLN A 748 -10.451 3.130 -8.194 1.00 0.00 C ATOM 984 C GLN A 748 -11.651 3.173 -7.252 1.00 0.00 C ATOM 985 O GLN A 748 -11.755 4.059 -6.403 1.00 0.00 O ATOM 986 CB GLN A 748 -10.185 4.528 -8.759 1.00 0.00 C ATOM 987 CG GLN A 748 -11.307 5.051 -9.642 1.00 0.00 C ATOM 988 CD GLN A 748 -11.031 6.443 -10.181 1.00 0.00 C ATOM 989 OE1 GLN A 748 -11.472 6.792 -11.276 1.00 0.00 O ATOM 990 NE2 GLN A 748 -10.304 7.248 -9.413 1.00 0.00 N ATOM 0 H GLN A 748 -11.158 2.564 -10.086 1.00 0.00 H new ATOM 0 HA GLN A 748 -9.578 2.801 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -10.031 5.222 -7.932 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -9.260 4.508 -9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -11.456 4.366 -10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -12.236 5.065 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -9.958 6.918 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -10.092 8.196 -9.725 1.00 0.00 H new ATOM 999 N THR A 749 -12.556 2.210 -7.408 1.00 0.00 N ATOM 1000 CA THR A 749 -13.747 2.136 -6.568 1.00 0.00 C ATOM 1001 C THR A 749 -13.418 1.544 -5.202 1.00 0.00 C ATOM 1002 O THR A 749 -14.312 1.222 -4.419 1.00 0.00 O ATOM 1003 CB THR A 749 -14.851 1.289 -7.231 1.00 0.00 C ATOM 1004 OG1 THR A 749 -16.015 1.258 -6.397 1.00 0.00 O ATOM 1005 CG2 THR A 749 -14.366 -0.131 -7.486 1.00 0.00 C ATOM 0 H THR A 749 -12.487 1.471 -8.108 1.00 0.00 H new ATOM 0 HA THR A 749 -14.110 3.156 -6.442 1.00 0.00 H new ATOM 0 HB THR A 749 -15.103 1.748 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 749 -15.746 1.332 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 749 -15.163 -0.709 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 749 -13.499 -0.106 -8.146 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.088 -0.596 -6.540 1.00 0.00 H new ATOM 1013 N ALA A 750 -12.126 1.405 -4.920 1.00 0.00 N ATOM 1014 CA ALA A 750 -11.675 0.845 -3.651 1.00 0.00 C ATOM 1015 C ALA A 750 -10.980 1.898 -2.791 1.00 0.00 C ATOM 1016 O ALA A 750 -10.037 1.591 -2.061 1.00 0.00 O ATOM 1017 CB ALA A 750 -10.745 -0.332 -3.909 1.00 0.00 C ATOM 0 H ALA A 750 -11.373 1.673 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 750 -12.550 0.498 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -10.411 -0.747 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -11.276 -1.099 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -9.881 0.006 -4.481 1.00 0.00 H new ATOM 1023 N THR A 751 -11.456 3.137 -2.876 1.00 0.00 N ATOM 1024 CA THR A 751 -10.877 4.232 -2.103 1.00 0.00 C ATOM 1025 C THR A 751 -11.004 3.970 -0.606 1.00 0.00 C ATOM 1026 O THR A 751 -10.102 4.293 0.166 1.00 0.00 O ATOM 1027 CB THR A 751 -11.548 5.578 -2.440 1.00 0.00 C ATOM 1028 OG1 THR A 751 -11.488 5.815 -3.851 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.871 6.723 -1.701 1.00 0.00 C ATOM 0 H THR A 751 -12.239 3.408 -3.471 1.00 0.00 H new ATOM 0 HA THR A 751 -9.822 4.288 -2.372 1.00 0.00 H new ATOM 0 HB THR A 751 -12.590 5.528 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 751 -11.918 6.671 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 751 -11.363 7.662 -1.956 1.00 0.00 H new ATOM 0 HG22 THR A 751 -10.943 6.556 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.821 6.773 -1.991 1.00 0.00 H new ATOM 1037 N LYS A 752 -12.133 3.402 -0.199 1.00 0.00 N ATOM 1038 CA LYS A 752 -12.360 3.083 1.203 1.00 0.00 C ATOM 1039 C LYS A 752 -11.752 1.723 1.518 1.00 0.00 C ATOM 1040 O LYS A 752 -12.467 0.746 1.746 1.00 0.00 O ATOM 1041 CB LYS A 752 -13.857 3.090 1.531 1.00 0.00 C ATOM 1042 CG LYS A 752 -14.511 4.457 1.391 1.00 0.00 C ATOM 1043 CD LYS A 752 -14.742 4.825 -0.066 1.00 0.00 C ATOM 1044 CE LYS A 752 -15.355 6.210 -0.204 1.00 0.00 C ATOM 1045 NZ LYS A 752 -16.668 6.309 0.492 1.00 0.00 N ATOM 0 H LYS A 752 -12.904 3.154 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 752 -11.881 3.844 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -14.366 2.385 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -13.997 2.733 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -15.463 4.461 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -13.880 5.212 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -13.795 4.790 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -15.399 4.088 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -14.670 6.952 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -15.486 6.445 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -17.153 7.180 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -17.254 5.486 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -16.515 6.330 1.520 1.00 0.00 H new ATOM 1059 N ARG A 753 -10.422 1.679 1.516 1.00 0.00 N ATOM 1060 CA ARG A 753 -9.678 0.448 1.765 1.00 0.00 C ATOM 1061 C ARG A 753 -9.903 -0.549 0.635 1.00 0.00 C ATOM 1062 O ARG A 753 -10.990 -0.624 0.061 1.00 0.00 O ATOM 1063 CB ARG A 753 -10.050 -0.175 3.111 1.00 0.00 C ATOM 1064 CG ARG A 753 -9.309 0.439 4.287 1.00 0.00 C ATOM 1065 CD ARG A 753 -9.448 -0.421 5.533 1.00 0.00 C ATOM 1066 NE ARG A 753 -8.672 0.103 6.653 1.00 0.00 N ATOM 1067 CZ ARG A 753 -8.641 -0.461 7.856 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -9.340 -1.562 8.096 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -7.911 0.077 8.823 1.00 0.00 N ATOM 0 H ARG A 753 -9.832 2.493 1.342 1.00 0.00 H new ATOM 0 HA ARG A 753 -8.619 0.705 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -11.123 -0.065 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -9.841 -1.244 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -8.254 0.553 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.699 1.437 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -10.499 -0.480 5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -9.121 -1.437 5.310 1.00 0.00 H new ATOM 0 HE ARG A 753 -8.123 0.949 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -9.904 -1.979 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -9.313 -1.992 9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -7.372 0.925 8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -7.888 -0.357 9.746 1.00 0.00 H new ATOM 1083 N ILE A 754 -8.862 -1.308 0.321 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.917 -2.296 -0.750 1.00 0.00 C ATOM 1085 C ILE A 754 -10.119 -3.227 -0.613 1.00 0.00 C ATOM 1086 O ILE A 754 -10.743 -3.307 0.445 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.627 -3.129 -0.790 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.451 -3.899 0.520 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.436 -2.216 -1.042 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -6.264 -4.838 0.517 1.00 0.00 C ATOM 0 H ILE A 754 -7.961 -1.258 0.797 1.00 0.00 H new ATOM 0 HA ILE A 754 -9.022 -1.742 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.693 -3.853 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -7.338 -3.187 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -8.356 -4.472 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.522 -2.809 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.565 -1.704 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.366 -1.480 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -6.202 -5.349 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.384 -5.573 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -5.350 -4.268 0.350 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.429 -3.933 -1.696 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.561 -4.854 -1.724 1.00 0.00 C ATOM 1104 C ARG A 755 -11.162 -6.260 -1.283 1.00 0.00 C ATOM 1105 O ARG A 755 -12.021 -7.117 -1.075 1.00 0.00 O ATOM 1106 CB ARG A 755 -12.166 -4.902 -3.133 1.00 0.00 C ATOM 1107 CG ARG A 755 -11.157 -4.655 -4.248 1.00 0.00 C ATOM 1108 CD ARG A 755 -10.116 -5.762 -4.328 1.00 0.00 C ATOM 1109 NE ARG A 755 -10.688 -7.012 -4.820 1.00 0.00 N ATOM 1110 CZ ARG A 755 -9.963 -8.069 -5.170 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -8.641 -8.028 -5.086 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -10.561 -9.169 -5.605 1.00 0.00 N ATOM 0 H ARG A 755 -9.908 -3.884 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 755 -12.304 -4.482 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.630 -5.877 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -12.959 -4.157 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -11.681 -4.580 -5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.659 -3.700 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -9.304 -5.450 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -9.682 -5.925 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 755 -11.703 -7.078 -4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -8.177 -7.183 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -8.087 -8.841 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -11.578 -9.204 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -10.004 -9.980 -5.874 1.00 0.00 H new ATOM 1126 N MET A 756 -9.862 -6.496 -1.139 1.00 0.00 N ATOM 1127 CA MET A 756 -9.370 -7.806 -0.722 1.00 0.00 C ATOM 1128 C MET A 756 -8.351 -7.677 0.405 1.00 0.00 C ATOM 1129 O MET A 756 -7.145 -7.649 0.166 1.00 0.00 O ATOM 1130 CB MET A 756 -8.747 -8.545 -1.909 1.00 0.00 C ATOM 1131 CG MET A 756 -8.318 -9.967 -1.583 1.00 0.00 C ATOM 1132 SD MET A 756 -9.697 -11.004 -1.057 1.00 0.00 S ATOM 1133 CE MET A 756 -8.862 -12.566 -0.785 1.00 0.00 C ATOM 0 H MET A 756 -9.133 -5.802 -1.304 1.00 0.00 H new ATOM 0 HA MET A 756 -10.219 -8.380 -0.352 1.00 0.00 H new ATOM 0 HB2 MET A 756 -9.465 -8.570 -2.728 1.00 0.00 H new ATOM 0 HB3 MET A 756 -7.881 -7.985 -2.261 1.00 0.00 H new ATOM 0 HG2 MET A 756 -7.848 -10.411 -2.461 1.00 0.00 H new ATOM 0 HG3 MET A 756 -7.565 -9.944 -0.796 1.00 0.00 H new ATOM 0 HE1 MET A 756 -9.601 -13.358 -0.664 1.00 0.00 H new ATOM 0 HE2 MET A 756 -8.225 -12.792 -1.640 1.00 0.00 H new ATOM 0 HE3 MET A 756 -8.251 -12.500 0.115 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.849 -7.600 1.636 1.00 0.00 N ATOM 1144 CA ALA A 757 -7.989 -7.472 2.806 1.00 0.00 C ATOM 1145 C ALA A 757 -6.987 -8.618 2.879 1.00 0.00 C ATOM 1146 O ALA A 757 -7.369 -9.784 2.981 1.00 0.00 O ATOM 1147 CB ALA A 757 -8.827 -7.420 4.074 1.00 0.00 C ATOM 0 H ALA A 757 -9.846 -7.624 1.848 1.00 0.00 H new ATOM 0 HA ALA A 757 -7.430 -6.541 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -8.172 -7.324 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -9.499 -6.563 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -9.412 -8.336 4.161 1.00 0.00 H new ATOM 1153 N ILE A 758 -5.703 -8.276 2.826 1.00 0.00 N ATOM 1154 CA ILE A 758 -4.642 -9.274 2.888 1.00 0.00 C ATOM 1155 C ILE A 758 -4.704 -10.051 4.201 1.00 0.00 C ATOM 1156 O ILE A 758 -4.885 -9.470 5.272 1.00 0.00 O ATOM 1157 CB ILE A 758 -3.252 -8.613 2.720 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -2.158 -9.673 2.503 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.929 -7.721 3.914 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -1.607 -10.288 3.775 1.00 0.00 C ATOM 0 H ILE A 758 -5.373 -7.315 2.740 1.00 0.00 H new ATOM 0 HA ILE A 758 -4.792 -9.973 2.065 1.00 0.00 H new ATOM 0 HB ILE A 758 -3.282 -7.984 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -2.562 -10.469 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -1.336 -9.218 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -1.948 -7.267 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -3.683 -6.938 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -2.925 -8.320 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -0.843 -11.023 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -1.169 -9.507 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.413 -10.777 4.322 1.00 0.00 H new ATOM 1172 N ASN A 759 -4.562 -11.371 4.108 1.00 0.00 N ATOM 1173 CA ASN A 759 -4.605 -12.233 5.285 1.00 0.00 C ATOM 1174 C ASN A 759 -3.279 -12.197 6.038 1.00 0.00 C ATOM 1175 O ASN A 759 -3.179 -11.435 7.023 1.00 0.00 O ATOM 1176 CB ASN A 759 -4.937 -13.670 4.879 1.00 0.00 C ATOM 1177 CG ASN A 759 -4.912 -14.624 6.057 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -5.172 -14.231 7.195 1.00 0.00 O ATOM 1179 ND2 ASN A 759 -4.601 -15.887 5.790 1.00 0.00 N ATOM 1180 OXT ASN A 759 -2.351 -12.931 5.637 1.00 0.00 O ATOM 0 H ASN A 759 -4.416 -11.867 3.229 1.00 0.00 H new ATOM 0 HA ASN A 759 -5.386 -11.860 5.948 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -5.923 -13.695 4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -4.223 -14.006 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -4.571 -16.575 6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -4.393 -16.169 4.832 1.00 0.00 H new