USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 660 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.035) USER MOD Set 1.2: A 696 GLN : amide:sc= 0 X(o=-0.046,f=-0.17) USER MOD Single : A 641 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.0018) USER MOD Single : A 643 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 644 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00955) USER MOD Single : A 645 THR OG1 : rot 55:sc= 0.115 USER MOD Single : A 649 THR OG1 : rot -34:sc= 0.141! USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 661 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 664 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 669 TYR OH : rot 180:sc= 0 USER MOD Single : A 676 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 677 THR OG1 : rot 73:sc= 0.9 USER MOD Single : A 679 SER OG : rot -31:sc= 0.341 USER MOD Single : A 681 GLN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 686 LYS NZ :NH3+ -157:sc= -0.0458 (180deg=-0.285) USER MOD Single : A 687 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 688 THR OG1 : rot -12:sc= -0.37 USER MOD Single : A 691 LYS NZ :NH3+ -128:sc= 0.481 (180deg=0) USER MOD Single : A 694 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.34) USER MOD Single : A 695 ASN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 172:sc= -2.41! USER MOD Single : A 701 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-1.6) USER MOD Single : A 703 HIS : no HD1:sc= -0.0435 X(o=-0.043,f=-0.29) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 641 133.218 -33.637 10.758 1.00 0.00 N ATOM 2 CA ASN A 641 133.856 -33.013 9.569 1.00 0.00 C ATOM 3 C ASN A 641 135.372 -32.952 9.727 1.00 0.00 C ATOM 4 O ASN A 641 135.912 -33.295 10.780 1.00 0.00 O ATOM 5 CB ASN A 641 133.282 -31.605 9.391 1.00 0.00 C ATOM 6 CG ASN A 641 132.670 -31.401 8.019 1.00 0.00 C ATOM 7 OD1 ASN A 641 132.988 -30.439 7.321 1.00 0.00 O ATOM 8 ND2 ASN A 641 131.783 -32.309 7.625 1.00 0.00 N ATOM 0 HA ASN A 641 133.644 -33.618 8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 641 132.525 -31.425 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 641 134.072 -30.871 9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 641 131.337 -32.223 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 641 131.548 -33.091 8.236 1.00 0.00 H new ATOM 15 N ARG A 642 136.054 -32.512 8.674 1.00 0.00 N ATOM 16 CA ARG A 642 137.508 -32.406 8.696 1.00 0.00 C ATOM 17 C ARG A 642 137.960 -31.032 8.213 1.00 0.00 C ATOM 18 O ARG A 642 138.787 -30.379 8.850 1.00 0.00 O ATOM 19 CB ARG A 642 138.133 -33.497 7.824 1.00 0.00 C ATOM 20 CG ARG A 642 138.187 -34.858 8.500 1.00 0.00 C ATOM 21 CD ARG A 642 137.917 -35.982 7.512 1.00 0.00 C ATOM 22 NE ARG A 642 138.787 -37.133 7.740 1.00 0.00 N ATOM 23 CZ ARG A 642 138.594 -38.027 8.708 1.00 0.00 C ATOM 24 NH1 ARG A 642 137.565 -37.906 9.537 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 139.432 -39.046 8.845 1.00 0.00 N ATOM 0 H ARG A 642 135.623 -32.223 7.796 1.00 0.00 H new ATOM 0 HA ARG A 642 137.842 -32.538 9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 642 137.563 -33.582 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 642 139.144 -33.196 7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 642 139.167 -35.000 8.956 1.00 0.00 H new ATOM 0 HG3 ARG A 642 137.453 -34.895 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 642 136.876 -36.293 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 642 138.062 -35.614 6.496 1.00 0.00 H new ATOM 0 HE ARG A 642 139.589 -37.259 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 642 136.917 -37.125 9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 642 137.422 -38.594 10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 642 140.224 -39.144 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 642 139.285 -39.731 9.586 1.00 0.00 H new ATOM 39 N GLN A 643 137.412 -30.597 7.084 1.00 0.00 N ATOM 40 CA GLN A 643 137.757 -29.299 6.515 1.00 0.00 C ATOM 41 C GLN A 643 137.160 -28.166 7.343 1.00 0.00 C ATOM 42 O GLN A 643 136.237 -28.379 8.130 1.00 0.00 O ATOM 43 CB GLN A 643 137.267 -29.208 5.068 1.00 0.00 C ATOM 44 CG GLN A 643 138.391 -29.224 4.044 1.00 0.00 C ATOM 45 CD GLN A 643 138.320 -28.055 3.079 1.00 0.00 C ATOM 46 OE1 GLN A 643 137.440 -27.996 2.221 1.00 0.00 O ATOM 47 NE2 GLN A 643 139.251 -27.118 3.217 1.00 0.00 N ATOM 0 H GLN A 643 136.726 -31.125 6.544 1.00 0.00 H new ATOM 0 HA GLN A 643 138.842 -29.199 6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 643 136.593 -30.041 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 643 136.688 -28.293 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 643 139.350 -29.204 4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 643 138.352 -30.157 3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 643 139.962 -27.208 3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 643 139.255 -26.308 2.597 1.00 0.00 H new ATOM 56 N LYS A 644 137.692 -26.963 7.160 1.00 0.00 N ATOM 57 CA LYS A 644 137.211 -25.796 7.891 1.00 0.00 C ATOM 58 C LYS A 644 136.238 -24.985 7.041 1.00 0.00 C ATOM 59 O LYS A 644 136.641 -24.301 6.099 1.00 0.00 O ATOM 60 CB LYS A 644 138.387 -24.915 8.319 1.00 0.00 C ATOM 61 CG LYS A 644 138.981 -25.306 9.662 1.00 0.00 C ATOM 62 CD LYS A 644 139.451 -24.088 10.440 1.00 0.00 C ATOM 63 CE LYS A 644 140.182 -24.486 11.710 1.00 0.00 C ATOM 64 NZ LYS A 644 139.268 -25.112 12.705 1.00 0.00 N1+ ATOM 0 H LYS A 644 138.456 -26.770 6.512 1.00 0.00 H new ATOM 0 HA LYS A 644 136.686 -26.147 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 644 139.165 -24.967 7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 644 138.055 -23.878 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 644 138.237 -25.847 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 644 139.819 -25.985 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 644 140.110 -23.487 9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 644 138.594 -23.464 10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 644 140.983 -25.183 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 644 140.650 -23.606 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 139.795 -25.323 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 138.489 -24.457 12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 138.880 -25.994 12.313 1.00 0.00 H new ATOM 78 N THR A 645 134.955 -25.066 7.379 1.00 0.00 N ATOM 79 CA THR A 645 133.926 -24.340 6.647 1.00 0.00 C ATOM 80 C THR A 645 133.667 -22.973 7.271 1.00 0.00 C ATOM 81 O THR A 645 132.808 -22.828 8.141 1.00 0.00 O ATOM 82 CB THR A 645 132.603 -25.129 6.605 1.00 0.00 C ATOM 83 OG1 THR A 645 132.316 -25.675 7.899 1.00 0.00 O ATOM 84 CG2 THR A 645 132.676 -26.251 5.581 1.00 0.00 C ATOM 0 H THR A 645 134.604 -25.627 8.155 1.00 0.00 H new ATOM 0 HA THR A 645 134.296 -24.209 5.630 1.00 0.00 H new ATOM 0 HB THR A 645 131.806 -24.444 6.315 1.00 0.00 H new ATOM 0 HG1 THR A 645 132.322 -24.957 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 645 131.731 -26.794 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 645 132.866 -25.831 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 645 133.484 -26.933 5.846 1.00 0.00 H new ATOM 92 N ARG A 646 134.418 -21.972 6.823 1.00 0.00 N ATOM 93 CA ARG A 646 134.273 -20.615 7.335 1.00 0.00 C ATOM 94 C ARG A 646 133.759 -19.674 6.246 1.00 0.00 C ATOM 95 O ARG A 646 134.546 -19.080 5.508 1.00 0.00 O ATOM 96 CB ARG A 646 135.612 -20.108 7.878 1.00 0.00 C ATOM 97 CG ARG A 646 135.547 -19.655 9.328 1.00 0.00 C ATOM 98 CD ARG A 646 136.446 -20.498 10.219 1.00 0.00 C ATOM 99 NE ARG A 646 135.939 -20.579 11.587 1.00 0.00 N ATOM 100 CZ ARG A 646 136.606 -21.142 12.593 1.00 0.00 C ATOM 101 NH1 ARG A 646 137.804 -21.675 12.387 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 136.075 -21.173 13.806 1.00 0.00 N ATOM 0 H ARG A 646 135.135 -22.076 6.105 1.00 0.00 H new ATOM 0 HA ARG A 646 133.544 -20.633 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 646 136.355 -20.900 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 646 135.954 -19.277 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 646 135.844 -18.609 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 646 134.519 -19.718 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 646 136.530 -21.502 9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 646 137.449 -20.072 10.229 1.00 0.00 H new ATOM 0 HE ARG A 646 135.020 -20.181 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 646 138.218 -21.655 11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 646 138.311 -22.105 13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 646 135.154 -20.766 13.970 1.00 0.00 H new ATOM 0 HH22 ARG A 646 136.587 -21.604 14.576 1.00 0.00 H new ATOM 116 N PRO A 647 132.427 -19.526 6.129 1.00 0.00 N ATOM 117 CA PRO A 647 131.818 -18.652 5.121 1.00 0.00 C ATOM 118 C PRO A 647 132.170 -17.186 5.339 1.00 0.00 C ATOM 119 O PRO A 647 132.666 -16.513 4.435 1.00 0.00 O ATOM 120 CB PRO A 647 130.313 -18.876 5.303 1.00 0.00 C ATOM 121 CG PRO A 647 130.163 -19.410 6.687 1.00 0.00 C ATOM 122 CD PRO A 647 131.415 -20.195 6.965 1.00 0.00 C ATOM 0 HA PRO A 647 132.173 -18.885 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 647 129.758 -17.946 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 647 129.927 -19.580 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 647 130.042 -18.600 7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 647 129.279 -20.043 6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 647 131.682 -20.165 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 647 131.300 -21.245 6.695 1.00 0.00 H new ATOM 130 N ARG A 648 131.911 -16.700 6.545 1.00 0.00 N ATOM 131 CA ARG A 648 132.198 -15.312 6.894 1.00 0.00 C ATOM 132 C ARG A 648 131.540 -14.352 5.907 1.00 0.00 C ATOM 133 O ARG A 648 132.108 -14.035 4.861 1.00 0.00 O ATOM 134 CB ARG A 648 133.709 -15.076 6.924 1.00 0.00 C ATOM 135 CG ARG A 648 134.149 -14.098 8.000 1.00 0.00 C ATOM 136 CD ARG A 648 135.665 -13.971 8.049 1.00 0.00 C ATOM 137 NE ARG A 648 136.099 -12.999 9.050 1.00 0.00 N ATOM 138 CZ ARG A 648 136.043 -13.212 10.363 1.00 0.00 C ATOM 139 NH1 ARG A 648 135.572 -14.358 10.838 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 136.460 -12.275 11.205 1.00 0.00 N ATOM 0 H ARG A 648 131.501 -17.247 7.302 1.00 0.00 H new ATOM 0 HA ARG A 648 131.786 -15.120 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 648 134.214 -16.029 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 648 134.030 -14.702 5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 648 133.707 -13.120 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 648 133.779 -14.431 8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 648 136.104 -14.943 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 648 136.036 -13.673 7.069 1.00 0.00 H new ATOM 0 HE ARG A 648 136.466 -12.105 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 648 135.250 -15.082 10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 648 135.532 -14.515 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 648 136.823 -11.392 10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 648 136.417 -12.438 12.211 1.00 0.00 H new ATOM 154 N THR A 649 130.340 -13.891 6.246 1.00 0.00 N ATOM 155 CA THR A 649 129.607 -12.967 5.389 1.00 0.00 C ATOM 156 C THR A 649 128.484 -12.280 6.156 1.00 0.00 C ATOM 157 O THR A 649 127.886 -12.864 7.059 1.00 0.00 O ATOM 158 CB THR A 649 129.011 -13.688 4.166 1.00 0.00 C ATOM 159 OG1 THR A 649 129.948 -14.642 3.653 1.00 0.00 O ATOM 160 CG2 THR A 649 128.644 -12.692 3.076 1.00 0.00 C ATOM 0 H THR A 649 129.855 -14.142 7.108 1.00 0.00 H new ATOM 0 HA THR A 649 130.322 -12.218 5.047 1.00 0.00 H new ATOM 0 HB THR A 649 128.105 -14.205 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 649 130.859 -14.299 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 649 128.225 -13.225 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 649 127.907 -11.987 3.461 1.00 0.00 H new ATOM 0 HG23 THR A 649 129.536 -12.150 2.763 1.00 0.00 H new ATOM 168 N LYS A 650 128.201 -11.033 5.791 1.00 0.00 N ATOM 169 CA LYS A 650 127.149 -10.263 6.445 1.00 0.00 C ATOM 170 C LYS A 650 125.973 -10.040 5.500 1.00 0.00 C ATOM 171 O LYS A 650 126.064 -10.311 4.302 1.00 0.00 O ATOM 172 CB LYS A 650 127.694 -8.918 6.926 1.00 0.00 C ATOM 173 CG LYS A 650 128.950 -9.039 7.774 1.00 0.00 C ATOM 174 CD LYS A 650 129.385 -7.689 8.317 1.00 0.00 C ATOM 175 CE LYS A 650 130.066 -7.825 9.670 1.00 0.00 C ATOM 176 NZ LYS A 650 131.501 -8.199 9.535 1.00 0.00 N1+ ATOM 0 H LYS A 650 128.686 -10.534 5.045 1.00 0.00 H new ATOM 0 HA LYS A 650 126.799 -10.832 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 650 127.909 -8.292 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 650 126.923 -8.409 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 650 128.767 -9.724 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 650 129.754 -9.469 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 650 130.067 -7.215 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 650 128.517 -7.036 8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 650 129.986 -6.883 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 650 129.549 -8.579 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 131.929 -8.282 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 131.577 -9.110 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 132.001 -7.467 8.992 1.00 0.00 H new ATOM 190 N ILE A 651 124.868 -9.542 6.046 1.00 0.00 N ATOM 191 CA ILE A 651 123.673 -9.281 5.252 1.00 0.00 C ATOM 192 C ILE A 651 123.127 -10.569 4.642 1.00 0.00 C ATOM 193 O ILE A 651 123.788 -11.210 3.827 1.00 0.00 O ATOM 194 CB ILE A 651 123.957 -8.272 4.122 1.00 0.00 C ATOM 195 CG1 ILE A 651 124.692 -7.045 4.670 1.00 0.00 C ATOM 196 CG2 ILE A 651 122.659 -7.860 3.443 1.00 0.00 C ATOM 197 CD1 ILE A 651 125.890 -6.640 3.840 1.00 0.00 C ATOM 0 H ILE A 651 124.776 -9.311 7.035 1.00 0.00 H new ATOM 0 HA ILE A 651 122.930 -8.858 5.928 1.00 0.00 H new ATOM 0 HB ILE A 651 124.597 -8.751 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 651 123.996 -6.208 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 651 125.019 -7.252 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 651 122.875 -7.147 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 651 122.174 -8.740 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 651 121.997 -7.397 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 651 126.362 -5.765 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 651 126.605 -7.462 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 651 125.567 -6.401 2.827 1.00 0.00 H new ATOM 209 N SER A 652 121.915 -10.939 5.044 1.00 0.00 N ATOM 210 CA SER A 652 121.280 -12.150 4.538 1.00 0.00 C ATOM 211 C SER A 652 120.766 -11.940 3.117 1.00 0.00 C ATOM 212 O SER A 652 120.738 -10.817 2.615 1.00 0.00 O ATOM 213 CB SER A 652 120.127 -12.567 5.453 1.00 0.00 C ATOM 214 OG SER A 652 120.567 -13.480 6.444 1.00 0.00 O ATOM 0 H SER A 652 121.354 -10.418 5.718 1.00 0.00 H new ATOM 0 HA SER A 652 122.027 -12.943 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 652 119.700 -11.685 5.930 1.00 0.00 H new ATOM 0 HB3 SER A 652 119.335 -13.023 4.860 1.00 0.00 H new ATOM 0 HG SER A 652 119.812 -13.730 7.017 1.00 0.00 H new ATOM 220 N VAL A 653 120.359 -13.031 2.474 1.00 0.00 N ATOM 221 CA VAL A 653 119.844 -12.967 1.112 1.00 0.00 C ATOM 222 C VAL A 653 118.631 -12.045 1.025 1.00 0.00 C ATOM 223 O VAL A 653 118.422 -11.370 0.016 1.00 0.00 O ATOM 224 CB VAL A 653 119.450 -14.363 0.593 1.00 0.00 C ATOM 225 CG1 VAL A 653 119.105 -14.306 -0.887 1.00 0.00 C ATOM 226 CG2 VAL A 653 120.569 -15.361 0.850 1.00 0.00 C ATOM 0 H VAL A 653 120.376 -13.969 2.875 1.00 0.00 H new ATOM 0 HA VAL A 653 120.646 -12.569 0.490 1.00 0.00 H new ATOM 0 HB VAL A 653 118.565 -14.696 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 653 118.829 -15.302 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 653 118.269 -13.624 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 653 119.969 -13.952 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 653 120.274 -16.342 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 653 121.473 -15.034 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 653 120.763 -15.423 1.921 1.00 0.00 H new ATOM 236 N GLU A 654 117.838 -12.020 2.090 1.00 0.00 N ATOM 237 CA GLU A 654 116.646 -11.180 2.136 1.00 0.00 C ATOM 238 C GLU A 654 117.020 -9.704 2.057 1.00 0.00 C ATOM 239 O GLU A 654 116.394 -8.932 1.330 1.00 0.00 O ATOM 240 CB GLU A 654 115.854 -11.450 3.417 1.00 0.00 C ATOM 241 CG GLU A 654 115.192 -12.817 3.447 1.00 0.00 C ATOM 242 CD GLU A 654 116.167 -13.930 3.780 1.00 0.00 C ATOM 243 OE1 GLU A 654 117.149 -13.663 4.504 1.00 0.00 O1- ATOM 244 OE2 GLU A 654 115.948 -15.069 3.315 1.00 0.00 O ATOM 0 H GLU A 654 117.998 -12.571 2.933 1.00 0.00 H new ATOM 0 HA GLU A 654 116.024 -11.426 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 654 116.523 -11.361 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 654 115.088 -10.682 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 654 114.388 -12.811 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 654 114.735 -13.017 2.478 1.00 0.00 H new ATOM 251 N ALA A 655 118.045 -9.317 2.810 1.00 0.00 N ATOM 252 CA ALA A 655 118.504 -7.935 2.826 1.00 0.00 C ATOM 253 C ALA A 655 119.048 -7.520 1.464 1.00 0.00 C ATOM 254 O ALA A 655 118.935 -6.360 1.064 1.00 0.00 O ATOM 255 CB ALA A 655 119.563 -7.743 3.900 1.00 0.00 C ATOM 0 H ALA A 655 118.573 -9.943 3.418 1.00 0.00 H new ATOM 0 HA ALA A 655 117.650 -7.298 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 655 119.897 -6.705 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 655 119.142 -7.989 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 655 120.411 -8.397 3.696 1.00 0.00 H new ATOM 261 N LEU A 656 119.637 -8.476 0.751 1.00 0.00 N ATOM 262 CA LEU A 656 120.198 -8.208 -0.569 1.00 0.00 C ATOM 263 C LEU A 656 119.115 -7.738 -1.536 1.00 0.00 C ATOM 264 O LEU A 656 119.307 -6.776 -2.280 1.00 0.00 O ATOM 265 CB LEU A 656 120.880 -9.462 -1.120 1.00 0.00 C ATOM 266 CG LEU A 656 121.478 -9.312 -2.520 1.00 0.00 C ATOM 267 CD1 LEU A 656 122.664 -8.359 -2.493 1.00 0.00 C ATOM 268 CD2 LEU A 656 121.895 -10.668 -3.068 1.00 0.00 C ATOM 0 H LEU A 656 119.738 -9.441 1.065 1.00 0.00 H new ATOM 0 HA LEU A 656 120.938 -7.414 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 656 121.673 -9.758 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 656 120.153 -10.274 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 656 120.716 -8.894 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 656 123.077 -8.264 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 656 122.337 -7.381 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 656 123.429 -8.749 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 656 122.318 -10.543 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 656 122.641 -11.113 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 656 121.024 -11.322 -3.123 1.00 0.00 H new ATOM 280 N GLY A 657 117.976 -8.424 -1.518 1.00 0.00 N ATOM 281 CA GLY A 657 116.880 -8.061 -2.396 1.00 0.00 C ATOM 282 C GLY A 657 116.387 -6.647 -2.156 1.00 0.00 C ATOM 283 O GLY A 657 116.164 -5.890 -3.101 1.00 0.00 O ATOM 0 H GLY A 657 117.793 -9.224 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 657 117.202 -8.159 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 657 116.056 -8.759 -2.251 1.00 0.00 H new ATOM 287 N ILE A 658 116.218 -6.289 -0.887 1.00 0.00 N ATOM 288 CA ILE A 658 115.751 -4.957 -0.525 1.00 0.00 C ATOM 289 C ILE A 658 116.809 -3.903 -0.835 1.00 0.00 C ATOM 290 O ILE A 658 116.486 -2.778 -1.214 1.00 0.00 O ATOM 291 CB ILE A 658 115.383 -4.876 0.969 1.00 0.00 C ATOM 292 CG1 ILE A 658 114.434 -6.016 1.349 1.00 0.00 C ATOM 293 CG2 ILE A 658 114.753 -3.529 1.291 1.00 0.00 C ATOM 294 CD1 ILE A 658 114.571 -6.462 2.788 1.00 0.00 C ATOM 0 H ILE A 658 116.398 -6.903 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 658 114.859 -4.761 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 658 116.297 -4.977 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 658 113.407 -5.697 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 658 114.621 -6.867 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 658 114.500 -3.490 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 658 115.459 -2.732 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 658 113.849 -3.399 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 658 113.869 -7.272 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 658 115.588 -6.812 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 658 114.355 -5.624 3.451 1.00 0.00 H new ATOM 306 N LEU A 659 118.074 -4.277 -0.673 1.00 0.00 N ATOM 307 CA LEU A 659 119.180 -3.365 -0.936 1.00 0.00 C ATOM 308 C LEU A 659 119.252 -3.011 -2.418 1.00 0.00 C ATOM 309 O LEU A 659 119.468 -1.855 -2.780 1.00 0.00 O ATOM 310 CB LEU A 659 120.502 -3.988 -0.481 1.00 0.00 C ATOM 311 CG LEU A 659 121.490 -3.014 0.163 1.00 0.00 C ATOM 312 CD1 LEU A 659 120.835 -2.280 1.323 1.00 0.00 C ATOM 313 CD2 LEU A 659 122.736 -3.751 0.631 1.00 0.00 C ATOM 0 H LEU A 659 118.358 -5.206 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 659 119.006 -2.449 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 659 120.285 -4.784 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 659 120.982 -4.452 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 659 121.787 -2.278 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 659 121.552 -1.591 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 659 119.973 -1.721 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 659 120.510 -3.001 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 659 123.428 -3.043 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 659 122.457 -4.508 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 659 123.217 -4.231 -0.222 1.00 0.00 H new ATOM 325 N GLN A 660 119.074 -4.015 -3.269 1.00 0.00 N ATOM 326 CA GLN A 660 119.119 -3.811 -4.713 1.00 0.00 C ATOM 327 C GLN A 660 118.049 -2.818 -5.156 1.00 0.00 C ATOM 328 O GLN A 660 118.278 -1.998 -6.044 1.00 0.00 O ATOM 329 CB GLN A 660 118.932 -5.140 -5.444 1.00 0.00 C ATOM 330 CG GLN A 660 120.086 -6.109 -5.251 1.00 0.00 C ATOM 331 CD GLN A 660 121.340 -5.674 -5.984 1.00 0.00 C ATOM 332 OE1 GLN A 660 122.358 -5.364 -5.366 1.00 0.00 O ATOM 333 NE2 GLN A 660 121.271 -5.648 -7.310 1.00 0.00 N ATOM 0 H GLN A 660 118.897 -4.978 -2.985 1.00 0.00 H new ATOM 0 HA GLN A 660 120.097 -3.401 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 660 118.012 -5.610 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.807 -4.945 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 660 120.305 -6.201 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 660 119.789 -7.097 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 660 120.406 -5.913 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 660 122.083 -5.363 -7.857 1.00 0.00 H new ATOM 342 N SER A 661 116.879 -2.898 -4.530 1.00 0.00 N ATOM 343 CA SER A 661 115.773 -2.007 -4.860 1.00 0.00 C ATOM 344 C SER A 661 116.153 -0.551 -4.608 1.00 0.00 C ATOM 345 O SER A 661 115.813 0.333 -5.393 1.00 0.00 O ATOM 346 CB SER A 661 114.534 -2.372 -4.040 1.00 0.00 C ATOM 347 OG SER A 661 114.520 -3.754 -3.725 1.00 0.00 O ATOM 0 H SER A 661 116.673 -3.571 -3.792 1.00 0.00 H new ATOM 0 HA SER A 661 115.547 -2.127 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 661 114.517 -1.786 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 661 113.635 -2.114 -4.599 1.00 0.00 H new ATOM 0 HG SER A 661 113.719 -3.962 -3.199 1.00 0.00 H new ATOM 353 N PHE A 662 116.861 -0.312 -3.510 1.00 0.00 N ATOM 354 CA PHE A 662 117.288 1.037 -3.154 1.00 0.00 C ATOM 355 C PHE A 662 118.296 1.572 -4.166 1.00 0.00 C ATOM 356 O PHE A 662 118.339 2.773 -4.438 1.00 0.00 O ATOM 357 CB PHE A 662 117.901 1.046 -1.752 1.00 0.00 C ATOM 358 CG PHE A 662 117.921 2.408 -1.116 1.00 0.00 C ATOM 359 CD1 PHE A 662 116.760 2.968 -0.612 1.00 0.00 C ATOM 360 CD2 PHE A 662 119.103 3.125 -1.024 1.00 0.00 C ATOM 361 CE1 PHE A 662 116.776 4.221 -0.025 1.00 0.00 C ATOM 362 CE2 PHE A 662 119.126 4.377 -0.439 1.00 0.00 C ATOM 363 CZ PHE A 662 117.961 4.925 0.060 1.00 0.00 C ATOM 0 H PHE A 662 117.152 -1.034 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 662 116.411 1.685 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.339 0.364 -1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 662 118.920 0.664 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 662 115.831 2.421 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 662 120.017 2.701 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 662 115.864 4.647 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 662 120.054 4.926 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 662 117.977 5.904 0.517 1.00 0.00 H new ATOM 373 N ILE A 663 119.104 0.676 -4.721 1.00 0.00 N ATOM 374 CA ILE A 663 120.112 1.059 -5.702 1.00 0.00 C ATOM 375 C ILE A 663 119.480 1.319 -7.065 1.00 0.00 C ATOM 376 O ILE A 663 119.968 2.142 -7.840 1.00 0.00 O ATOM 377 CB ILE A 663 121.196 -0.026 -5.850 1.00 0.00 C ATOM 378 CG1 ILE A 663 121.732 -0.436 -4.478 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.326 0.471 -6.739 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.394 -1.796 -4.468 1.00 0.00 C ATOM 0 H ILE A 663 119.081 -0.321 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 663 120.575 1.976 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 663 120.748 -0.902 -6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 663 122.450 0.311 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 663 120.911 -0.436 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 663 123.084 -0.307 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 663 121.932 0.716 -7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 663 122.773 1.361 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 663 122.750 -2.020 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 663 121.673 -2.554 -4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 663 123.237 -1.796 -5.159 1.00 0.00 H new ATOM 392 N GLN A 664 118.391 0.612 -7.353 1.00 0.00 N ATOM 393 CA GLN A 664 117.694 0.767 -8.623 1.00 0.00 C ATOM 394 C GLN A 664 116.844 2.035 -8.626 1.00 0.00 C ATOM 395 O GLN A 664 116.642 2.657 -9.669 1.00 0.00 O ATOM 396 CB GLN A 664 116.812 -0.456 -8.897 1.00 0.00 C ATOM 397 CG GLN A 664 116.984 -1.027 -10.295 1.00 0.00 C ATOM 398 CD GLN A 664 116.144 -0.303 -11.329 1.00 0.00 C ATOM 399 OE1 GLN A 664 114.932 -0.159 -11.170 1.00 0.00 O ATOM 400 NE2 GLN A 664 116.787 0.157 -12.396 1.00 0.00 N ATOM 0 H GLN A 664 117.973 -0.073 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 664 118.441 0.851 -9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 664 117.042 -1.231 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 664 115.767 -0.181 -8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 664 118.034 -0.969 -10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 664 116.714 -2.083 -10.288 1.00 0.00 H new ATOM 0 HE21 GLN A 664 117.793 0.015 -12.486 1.00 0.00 H new ATOM 0 HE22 GLN A 664 116.275 0.653 -13.126 1.00 0.00 H new ATOM 409 N ASP A 665 116.348 2.411 -7.452 1.00 0.00 N ATOM 410 CA ASP A 665 115.519 3.604 -7.319 1.00 0.00 C ATOM 411 C ASP A 665 116.380 4.839 -7.069 1.00 0.00 C ATOM 412 O ASP A 665 116.428 5.752 -7.893 1.00 0.00 O ATOM 413 CB ASP A 665 114.515 3.429 -6.180 1.00 0.00 C ATOM 414 CG ASP A 665 113.399 4.455 -6.229 1.00 0.00 C ATOM 415 OD1 ASP A 665 113.670 5.642 -5.948 1.00 0.00 O1- ATOM 416 OD2 ASP A 665 112.254 4.071 -6.547 1.00 0.00 O ATOM 0 H ASP A 665 116.505 1.907 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 665 114.976 3.745 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 665 114.087 2.428 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 665 115.035 3.508 -5.225 1.00 0.00 H new ATOM 421 N VAL A 666 117.059 4.860 -5.926 1.00 0.00 N ATOM 422 CA VAL A 666 117.917 5.983 -5.566 1.00 0.00 C ATOM 423 C VAL A 666 119.229 5.943 -6.344 1.00 0.00 C ATOM 424 O VAL A 666 119.537 6.858 -7.106 1.00 0.00 O ATOM 425 CB VAL A 666 118.228 5.992 -4.058 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.961 7.267 -3.672 1.00 0.00 C ATOM 427 CG2 VAL A 666 116.949 5.838 -3.247 1.00 0.00 C ATOM 0 H VAL A 666 117.031 4.112 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 666 117.373 6.892 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 666 118.877 5.145 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 666 119.172 7.256 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 666 119.897 7.330 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 666 118.339 8.130 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 666 117.189 5.847 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 666 116.273 6.663 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 666 116.468 4.894 -3.503 1.00 0.00 H new ATOM 437 N GLY A 667 119.995 4.876 -6.145 1.00 0.00 N ATOM 438 CA GLY A 667 121.264 4.737 -6.835 1.00 0.00 C ATOM 439 C GLY A 667 122.365 4.228 -5.926 1.00 0.00 C ATOM 440 O GLY A 667 122.095 3.566 -4.924 1.00 0.00 O ATOM 0 H GLY A 667 119.760 4.106 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 667 121.145 4.052 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 667 121.556 5.702 -7.250 1.00 0.00 H new ATOM 444 N LEU A 668 123.609 4.538 -6.275 1.00 0.00 N ATOM 445 CA LEU A 668 124.756 4.108 -5.483 1.00 0.00 C ATOM 446 C LEU A 668 125.312 5.264 -4.659 1.00 0.00 C ATOM 447 O LEU A 668 126.513 5.328 -4.392 1.00 0.00 O ATOM 448 CB LEU A 668 125.847 3.541 -6.391 1.00 0.00 C ATOM 449 CG LEU A 668 125.352 2.600 -7.491 1.00 0.00 C ATOM 450 CD1 LEU A 668 125.112 3.367 -8.782 1.00 0.00 C ATOM 451 CD2 LEU A 668 126.348 1.473 -7.715 1.00 0.00 C ATOM 0 H LEU A 668 123.849 5.086 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 668 124.422 3.327 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 668 126.378 4.371 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 668 126.569 3.006 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 668 124.406 2.164 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 668 124.760 2.681 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 668 124.361 4.138 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 668 126.043 3.832 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 668 125.980 0.813 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 668 127.310 1.891 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 668 126.469 0.906 -6.792 1.00 0.00 H new ATOM 463 N TYR A 669 124.433 6.178 -4.259 1.00 0.00 N ATOM 464 CA TYR A 669 124.837 7.333 -3.465 1.00 0.00 C ATOM 465 C TYR A 669 123.825 7.612 -2.357 1.00 0.00 C ATOM 466 O TYR A 669 123.050 8.565 -2.437 1.00 0.00 O ATOM 467 CB TYR A 669 124.986 8.565 -4.360 1.00 0.00 C ATOM 468 CG TYR A 669 126.276 8.588 -5.147 1.00 0.00 C ATOM 469 CD1 TYR A 669 126.496 7.694 -6.188 1.00 0.00 C ATOM 470 CD2 TYR A 669 127.276 9.506 -4.850 1.00 0.00 C ATOM 471 CE1 TYR A 669 127.675 7.713 -6.909 1.00 0.00 C ATOM 472 CE2 TYR A 669 128.458 9.532 -5.566 1.00 0.00 C ATOM 473 CZ TYR A 669 128.652 8.633 -6.594 1.00 0.00 C ATOM 474 OH TYR A 669 129.827 8.656 -7.310 1.00 0.00 O ATOM 0 H TYR A 669 123.436 6.141 -4.472 1.00 0.00 H new ATOM 0 HA TYR A 669 125.799 7.109 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 669 124.146 8.604 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 669 124.931 9.461 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 669 125.733 6.972 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 669 127.127 10.211 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 669 127.830 7.011 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 669 129.225 10.252 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 669 130.408 9.364 -6.962 1.00 0.00 H new ATOM 484 N PRO A 670 123.817 6.778 -1.302 1.00 0.00 N ATOM 485 CA PRO A 670 122.895 6.939 -0.175 1.00 0.00 C ATOM 486 C PRO A 670 123.239 8.148 0.688 1.00 0.00 C ATOM 487 O PRO A 670 124.409 8.420 0.956 1.00 0.00 O ATOM 488 CB PRO A 670 123.080 5.646 0.623 1.00 0.00 C ATOM 489 CG PRO A 670 124.462 5.195 0.296 1.00 0.00 C ATOM 490 CD PRO A 670 124.708 5.615 -1.128 1.00 0.00 C ATOM 0 HA PRO A 670 121.871 7.109 -0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 670 122.963 5.820 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 670 122.341 4.896 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 670 125.190 5.649 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 670 124.556 4.115 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 670 125.752 5.881 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 670 124.467 4.816 -1.830 1.00 0.00 H new ATOM 498 N ASP A 671 122.211 8.873 1.119 1.00 0.00 N ATOM 499 CA ASP A 671 122.406 10.055 1.950 1.00 0.00 C ATOM 500 C ASP A 671 122.724 9.661 3.389 1.00 0.00 C ATOM 501 O ASP A 671 122.682 8.482 3.743 1.00 0.00 O ATOM 502 CB ASP A 671 121.157 10.939 1.917 1.00 0.00 C ATOM 503 CG ASP A 671 121.091 11.799 0.671 1.00 0.00 C ATOM 504 OD1 ASP A 671 120.802 11.252 -0.414 1.00 0.00 O1- ATOM 505 OD2 ASP A 671 121.331 13.020 0.779 1.00 0.00 O ATOM 0 H ASP A 671 121.236 8.663 0.907 1.00 0.00 H new ATOM 0 HA ASP A 671 123.251 10.615 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 671 120.268 10.310 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 671 121.145 11.580 2.799 1.00 0.00 H new ATOM 510 N GLU A 672 123.042 10.653 4.214 1.00 0.00 N ATOM 511 CA GLU A 672 123.367 10.409 5.615 1.00 0.00 C ATOM 512 C GLU A 672 122.204 9.734 6.334 1.00 0.00 C ATOM 513 O GLU A 672 122.405 8.846 7.164 1.00 0.00 O ATOM 514 CB GLU A 672 123.722 11.721 6.314 1.00 0.00 C ATOM 515 CG GLU A 672 124.851 12.483 5.640 1.00 0.00 C ATOM 516 CD GLU A 672 126.122 11.664 5.529 1.00 0.00 C ATOM 517 OE1 GLU A 672 126.940 11.708 6.472 1.00 0.00 O1- ATOM 518 OE2 GLU A 672 126.301 10.982 4.499 1.00 0.00 O ATOM 0 H GLU A 672 123.082 11.634 3.937 1.00 0.00 H new ATOM 0 HA GLU A 672 124.228 9.742 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 672 122.837 12.356 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 672 124.003 11.509 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 672 124.533 12.790 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 672 125.057 13.393 6.204 1.00 0.00 H new ATOM 525 N GLU A 673 120.988 10.161 6.011 1.00 0.00 N ATOM 526 CA GLU A 673 119.791 9.597 6.628 1.00 0.00 C ATOM 527 C GLU A 673 119.473 8.224 6.042 1.00 0.00 C ATOM 528 O GLU A 673 118.922 7.360 6.725 1.00 0.00 O ATOM 529 CB GLU A 673 118.601 10.538 6.433 1.00 0.00 C ATOM 530 CG GLU A 673 117.754 10.713 7.683 1.00 0.00 C ATOM 531 CD GLU A 673 117.495 12.171 8.014 1.00 0.00 C ATOM 532 OE1 GLU A 673 116.719 12.817 7.279 1.00 0.00 O1- ATOM 533 OE2 GLU A 673 118.069 12.665 9.007 1.00 0.00 O ATOM 0 H GLU A 673 120.804 10.895 5.327 1.00 0.00 H new ATOM 0 HA GLU A 673 119.981 9.481 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 673 118.968 11.513 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 673 117.973 10.154 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 673 116.802 10.201 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 673 118.254 10.236 8.526 1.00 0.00 H new ATOM 540 N ALA A 674 119.825 8.030 4.775 1.00 0.00 N ATOM 541 CA ALA A 674 119.576 6.762 4.099 1.00 0.00 C ATOM 542 C ALA A 674 120.377 5.633 4.738 1.00 0.00 C ATOM 543 O ALA A 674 119.871 4.525 4.919 1.00 0.00 O ATOM 544 CB ALA A 674 119.912 6.879 2.621 1.00 0.00 C ATOM 0 H ALA A 674 120.283 8.734 4.196 1.00 0.00 H new ATOM 0 HA ALA A 674 118.517 6.524 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 674 119.722 5.926 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.292 7.652 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 674 120.963 7.143 2.507 1.00 0.00 H new ATOM 550 N ILE A 675 121.629 5.922 5.079 1.00 0.00 N ATOM 551 CA ILE A 675 122.499 4.930 5.700 1.00 0.00 C ATOM 552 C ILE A 675 122.086 4.664 7.143 1.00 0.00 C ATOM 553 O ILE A 675 122.251 3.556 7.653 1.00 0.00 O ATOM 554 CB ILE A 675 123.973 5.379 5.673 1.00 0.00 C ATOM 555 CG1 ILE A 675 124.376 5.799 4.259 1.00 0.00 C ATOM 556 CG2 ILE A 675 124.878 4.264 6.177 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.697 6.536 4.200 1.00 0.00 C ATOM 0 H ILE A 675 122.063 6.834 4.936 1.00 0.00 H new ATOM 0 HA ILE A 675 122.397 4.012 5.121 1.00 0.00 H new ATOM 0 HB ILE A 675 124.086 6.239 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 675 124.436 4.912 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 675 123.595 6.435 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 675 125.915 4.598 6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.604 4.008 7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 675 124.763 3.387 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 675 125.919 6.803 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 675 125.636 7.442 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 675 126.489 5.895 4.587 1.00 0.00 H new ATOM 569 N GLN A 676 121.546 5.687 7.797 1.00 0.00 N ATOM 570 CA GLN A 676 121.107 5.564 9.181 1.00 0.00 C ATOM 571 C GLN A 676 119.843 4.716 9.276 1.00 0.00 C ATOM 572 O GLN A 676 119.691 3.911 10.197 1.00 0.00 O ATOM 573 CB GLN A 676 120.856 6.947 9.783 1.00 0.00 C ATOM 574 CG GLN A 676 122.127 7.677 10.184 1.00 0.00 C ATOM 575 CD GLN A 676 121.888 8.715 11.262 1.00 0.00 C ATOM 576 OE1 GLN A 676 121.889 8.403 12.452 1.00 0.00 O ATOM 577 NE2 GLN A 676 121.681 9.961 10.848 1.00 0.00 N ATOM 0 H GLN A 676 121.402 6.611 7.390 1.00 0.00 H new ATOM 0 HA GLN A 676 121.898 5.069 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.311 7.555 9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 676 120.216 6.842 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 676 122.861 6.953 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 676 122.555 8.162 9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 676 121.689 10.175 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 676 121.514 10.703 11.528 1.00 0.00 H new ATOM 586 N THR A 677 118.938 4.902 8.321 1.00 0.00 N ATOM 587 CA THR A 677 117.687 4.155 8.297 1.00 0.00 C ATOM 588 C THR A 677 117.904 2.734 7.783 1.00 0.00 C ATOM 589 O THR A 677 117.440 1.768 8.385 1.00 0.00 O ATOM 590 CB THR A 677 116.634 4.850 7.416 1.00 0.00 C ATOM 591 OG1 THR A 677 116.527 6.232 7.777 1.00 0.00 O ATOM 592 CG2 THR A 677 115.277 4.177 7.561 1.00 0.00 C ATOM 0 H THR A 677 119.048 5.564 7.553 1.00 0.00 H new ATOM 0 HA THR A 677 117.323 4.117 9.324 1.00 0.00 H new ATOM 0 HB THR A 677 116.953 4.770 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.317 6.716 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 677 114.549 4.686 6.929 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.354 3.133 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 677 114.954 4.229 8.601 1.00 0.00 H new ATOM 600 N LEU A 678 118.614 2.618 6.665 1.00 0.00 N ATOM 601 CA LEU A 678 118.893 1.317 6.069 1.00 0.00 C ATOM 602 C LEU A 678 119.676 0.434 7.036 1.00 0.00 C ATOM 603 O LEU A 678 119.528 -0.789 7.036 1.00 0.00 O ATOM 604 CB LEU A 678 119.677 1.486 4.766 1.00 0.00 C ATOM 605 CG LEU A 678 118.856 1.987 3.578 1.00 0.00 C ATOM 606 CD1 LEU A 678 119.764 2.598 2.522 1.00 0.00 C ATOM 607 CD2 LEU A 678 118.033 0.855 2.985 1.00 0.00 C ATOM 0 H LEU A 678 119.006 3.409 6.154 1.00 0.00 H new ATOM 0 HA LEU A 678 117.941 0.833 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.497 2.182 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.123 0.527 4.501 1.00 0.00 H new ATOM 0 HG LEU A 678 118.173 2.760 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 678 119.162 2.949 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 678 120.310 3.437 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 678 120.471 1.846 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 678 117.455 1.229 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 678 118.698 0.061 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 678 117.355 0.462 3.743 1.00 0.00 H new ATOM 619 N SER A 679 120.510 1.060 7.860 1.00 0.00 N ATOM 620 CA SER A 679 121.315 0.332 8.832 1.00 0.00 C ATOM 621 C SER A 679 120.437 -0.277 9.919 1.00 0.00 C ATOM 622 O SER A 679 120.594 -1.443 10.279 1.00 0.00 O ATOM 623 CB SER A 679 122.355 1.260 9.461 1.00 0.00 C ATOM 624 OG SER A 679 121.733 2.324 10.160 1.00 0.00 O ATOM 0 H SER A 679 120.646 2.071 7.873 1.00 0.00 H new ATOM 0 HA SER A 679 121.827 -0.476 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 679 122.987 0.693 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 679 123.005 1.662 8.684 1.00 0.00 H new ATOM 0 HG SER A 679 120.886 2.552 9.722 1.00 0.00 H new ATOM 630 N ALA A 680 119.509 0.521 10.438 1.00 0.00 N ATOM 631 CA ALA A 680 118.602 0.060 11.484 1.00 0.00 C ATOM 632 C ALA A 680 117.576 -0.920 10.928 1.00 0.00 C ATOM 633 O ALA A 680 117.192 -1.879 11.596 1.00 0.00 O ATOM 634 CB ALA A 680 117.906 1.245 12.137 1.00 0.00 C ATOM 0 H ALA A 680 119.365 1.489 10.152 1.00 0.00 H new ATOM 0 HA ALA A 680 119.191 -0.462 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 680 117.232 0.887 12.916 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.651 1.907 12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 680 117.335 1.791 11.386 1.00 0.00 H new ATOM 640 N GLN A 681 117.135 -0.672 9.699 1.00 0.00 N ATOM 641 CA GLN A 681 116.152 -1.532 9.051 1.00 0.00 C ATOM 642 C GLN A 681 116.751 -2.899 8.735 1.00 0.00 C ATOM 643 O GLN A 681 116.249 -3.927 9.188 1.00 0.00 O ATOM 644 CB GLN A 681 115.639 -0.879 7.766 1.00 0.00 C ATOM 645 CG GLN A 681 114.174 -1.166 7.480 1.00 0.00 C ATOM 646 CD GLN A 681 113.984 -2.163 6.354 1.00 0.00 C ATOM 647 OE1 GLN A 681 113.600 -1.797 5.244 1.00 0.00 O ATOM 648 NE2 GLN A 681 114.252 -3.433 6.636 1.00 0.00 N ATOM 0 H GLN A 681 117.443 0.118 9.132 1.00 0.00 H new ATOM 0 HA GLN A 681 115.317 -1.670 9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.783 0.199 7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 681 116.240 -1.228 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 681 113.700 -1.549 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 681 113.668 -0.235 7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 681 114.568 -3.692 7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 681 114.142 -4.149 5.918 1.00 0.00 H new ATOM 657 N LEU A 682 117.829 -2.901 7.959 1.00 0.00 N ATOM 658 CA LEU A 682 118.500 -4.141 7.583 1.00 0.00 C ATOM 659 C LEU A 682 119.239 -4.752 8.773 1.00 0.00 C ATOM 660 O LEU A 682 119.642 -5.914 8.729 1.00 0.00 O ATOM 661 CB LEU A 682 119.480 -3.887 6.436 1.00 0.00 C ATOM 662 CG LEU A 682 118.846 -3.355 5.149 1.00 0.00 C ATOM 663 CD1 LEU A 682 119.914 -2.808 4.215 1.00 0.00 C ATOM 664 CD2 LEU A 682 118.043 -4.449 4.460 1.00 0.00 C ATOM 0 H LEU A 682 118.258 -2.058 7.578 1.00 0.00 H new ATOM 0 HA LEU A 682 117.738 -4.848 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 682 120.234 -3.175 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 682 120.000 -4.818 6.209 1.00 0.00 H new ATOM 0 HG LEU A 682 118.168 -2.542 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 682 119.445 -2.434 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 682 120.447 -1.996 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 682 120.617 -3.602 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 682 117.599 -4.054 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 682 118.701 -5.282 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 682 117.253 -4.796 5.127 1.00 0.00 H new ATOM 676 N ASP A 683 119.414 -3.965 9.833 1.00 0.00 N ATOM 677 CA ASP A 683 120.106 -4.435 11.029 1.00 0.00 C ATOM 678 C ASP A 683 121.598 -4.611 10.762 1.00 0.00 C ATOM 679 O ASP A 683 122.233 -5.515 11.306 1.00 0.00 O ATOM 680 CB ASP A 683 119.504 -5.755 11.517 1.00 0.00 C ATOM 681 CG ASP A 683 119.729 -5.981 13.000 1.00 0.00 C ATOM 682 OD1 ASP A 683 119.867 -4.983 13.738 1.00 0.00 O ATOM 683 OD2 ASP A 683 119.767 -7.156 13.422 1.00 0.00 O1- ATOM 0 H ASP A 683 119.086 -3.001 9.887 1.00 0.00 H new ATOM 0 HA ASP A 683 119.979 -3.681 11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 683 118.434 -5.762 11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.942 -6.580 10.956 1.00 0.00 H new ATOM 688 N LEU A 684 122.151 -3.741 9.923 1.00 0.00 N ATOM 689 CA LEU A 684 123.569 -3.799 9.586 1.00 0.00 C ATOM 690 C LEU A 684 124.264 -2.483 9.934 1.00 0.00 C ATOM 691 O LEU A 684 123.702 -1.406 9.733 1.00 0.00 O ATOM 692 CB LEU A 684 123.749 -4.105 8.097 1.00 0.00 C ATOM 693 CG LEU A 684 123.819 -5.591 7.741 1.00 0.00 C ATOM 694 CD1 LEU A 684 124.883 -6.291 8.572 1.00 0.00 C ATOM 695 CD2 LEU A 684 122.463 -6.251 7.939 1.00 0.00 C ATOM 0 H LEU A 684 121.639 -2.988 9.464 1.00 0.00 H new ATOM 0 HA LEU A 684 124.025 -4.598 10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 684 122.922 -3.655 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 684 124.663 -3.622 7.751 1.00 0.00 H new ATOM 0 HG LEU A 684 124.094 -5.680 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 684 124.917 -7.347 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 684 125.854 -5.836 8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 684 124.641 -6.193 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 684 122.532 -7.308 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 684 122.158 -6.151 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 684 121.726 -5.768 7.297 1.00 0.00 H new ATOM 707 N PRO A 685 125.499 -2.552 10.460 1.00 0.00 N ATOM 708 CA PRO A 685 126.265 -1.357 10.831 1.00 0.00 C ATOM 709 C PRO A 685 126.315 -0.327 9.707 1.00 0.00 C ATOM 710 O PRO A 685 125.760 -0.542 8.630 1.00 0.00 O ATOM 711 CB PRO A 685 127.664 -1.906 11.115 1.00 0.00 C ATOM 712 CG PRO A 685 127.438 -3.321 11.521 1.00 0.00 C ATOM 713 CD PRO A 685 126.247 -3.794 10.734 1.00 0.00 C ATOM 0 HA PRO A 685 125.818 -0.833 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 685 128.301 -1.844 10.233 1.00 0.00 H new ATOM 0 HB3 PRO A 685 128.158 -1.341 11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 685 128.315 -3.933 11.307 1.00 0.00 H new ATOM 0 HG3 PRO A 685 127.252 -3.394 12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 685 126.547 -4.293 9.813 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.648 -4.506 11.302 1.00 0.00 H new ATOM 721 N LYS A 686 126.983 0.792 9.965 1.00 0.00 N ATOM 722 CA LYS A 686 127.104 1.855 8.975 1.00 0.00 C ATOM 723 C LYS A 686 128.117 1.483 7.897 1.00 0.00 C ATOM 724 O LYS A 686 127.871 1.680 6.706 1.00 0.00 O ATOM 725 CB LYS A 686 127.518 3.164 9.650 1.00 0.00 C ATOM 726 CG LYS A 686 126.342 4.012 10.108 1.00 0.00 C ATOM 727 CD LYS A 686 125.854 3.587 11.484 1.00 0.00 C ATOM 728 CE LYS A 686 125.276 4.762 12.257 1.00 0.00 C ATOM 729 NZ LYS A 686 126.329 5.740 12.649 1.00 0.00 N1+ ATOM 0 H LYS A 686 127.449 0.986 10.851 1.00 0.00 H new ATOM 0 HA LYS A 686 126.131 1.989 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 686 128.147 2.936 10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 686 128.125 3.745 8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 686 126.636 5.061 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 686 125.527 3.926 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 686 125.096 2.811 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 686 126.680 3.151 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 686 124.524 5.263 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 686 124.770 4.396 13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 126.003 6.292 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 127.200 5.230 12.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 126.520 6.382 11.853 1.00 0.00 H new ATOM 743 N TYR A 687 129.255 0.944 8.321 1.00 0.00 N ATOM 744 CA TYR A 687 130.305 0.546 7.390 1.00 0.00 C ATOM 745 C TYR A 687 129.796 -0.510 6.414 1.00 0.00 C ATOM 746 O TYR A 687 130.240 -0.578 5.268 1.00 0.00 O ATOM 747 CB TYR A 687 131.517 0.010 8.154 1.00 0.00 C ATOM 748 CG TYR A 687 131.242 -1.271 8.910 1.00 0.00 C ATOM 749 CD1 TYR A 687 131.200 -2.494 8.252 1.00 0.00 C ATOM 750 CD2 TYR A 687 131.025 -1.258 10.283 1.00 0.00 C ATOM 751 CE1 TYR A 687 130.949 -3.667 8.938 1.00 0.00 C ATOM 752 CE2 TYR A 687 130.773 -2.427 10.976 1.00 0.00 C ATOM 753 CZ TYR A 687 130.737 -3.628 10.301 1.00 0.00 C ATOM 754 OH TYR A 687 130.487 -4.793 10.987 1.00 0.00 O ATOM 0 H TYR A 687 129.474 0.773 9.302 1.00 0.00 H new ATOM 0 HA TYR A 687 130.604 1.426 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 687 132.332 -0.162 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 687 131.857 0.770 8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 687 131.366 -2.528 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 687 131.054 -0.320 10.817 1.00 0.00 H new ATOM 0 HE1 TYR A 687 130.919 -4.609 8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 687 130.605 -2.399 12.042 1.00 0.00 H new ATOM 0 HH TYR A 687 130.361 -4.592 11.938 1.00 0.00 H new ATOM 764 N THR A 688 128.859 -1.334 6.875 1.00 0.00 N ATOM 765 CA THR A 688 128.288 -2.387 6.044 1.00 0.00 C ATOM 766 C THR A 688 127.640 -1.808 4.791 1.00 0.00 C ATOM 767 O THR A 688 127.709 -2.401 3.714 1.00 0.00 O ATOM 768 CB THR A 688 127.239 -3.207 6.818 1.00 0.00 C ATOM 769 OG1 THR A 688 127.794 -3.667 8.057 1.00 0.00 O ATOM 770 CG2 THR A 688 126.765 -4.397 5.999 1.00 0.00 C ATOM 0 H THR A 688 128.479 -1.292 7.821 1.00 0.00 H new ATOM 0 HA THR A 688 129.110 -3.042 5.755 1.00 0.00 H new ATOM 0 HB THR A 688 126.384 -2.561 7.018 1.00 0.00 H new ATOM 0 HG1 THR A 688 128.765 -3.533 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 688 126.025 -4.959 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 688 126.317 -4.044 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 688 127.613 -5.042 5.770 1.00 0.00 H new ATOM 778 N ILE A 689 127.011 -0.647 4.939 1.00 0.00 N ATOM 779 CA ILE A 689 126.350 0.012 3.819 1.00 0.00 C ATOM 780 C ILE A 689 127.369 0.610 2.856 1.00 0.00 C ATOM 781 O ILE A 689 127.222 0.506 1.638 1.00 0.00 O ATOM 782 CB ILE A 689 125.400 1.125 4.303 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.485 0.600 5.410 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.581 1.664 3.140 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.578 -0.525 4.959 1.00 0.00 C ATOM 0 H ILE A 689 126.945 -0.143 5.823 1.00 0.00 H new ATOM 0 HA ILE A 689 125.768 -0.750 3.301 1.00 0.00 H new ATOM 0 HB ILE A 689 125.997 1.941 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 689 125.097 0.252 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 689 123.874 1.421 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.915 2.449 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 689 125.250 2.072 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 689 123.991 0.857 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 689 122.957 -0.849 5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 689 122.941 -0.175 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 689 124.183 -1.362 4.611 1.00 0.00 H new ATOM 797 N ILE A 690 128.401 1.238 3.409 1.00 0.00 N ATOM 798 CA ILE A 690 129.443 1.854 2.596 1.00 0.00 C ATOM 799 C ILE A 690 130.253 0.801 1.849 1.00 0.00 C ATOM 800 O ILE A 690 130.480 0.917 0.644 1.00 0.00 O ATOM 801 CB ILE A 690 130.397 2.705 3.458 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.602 3.677 4.332 1.00 0.00 C ATOM 803 CG2 ILE A 690 131.379 3.462 2.575 1.00 0.00 C ATOM 804 CD1 ILE A 690 130.470 4.546 5.215 1.00 0.00 C ATOM 0 H ILE A 690 128.538 1.334 4.415 1.00 0.00 H new ATOM 0 HA ILE A 690 128.942 2.500 1.875 1.00 0.00 H new ATOM 0 HB ILE A 690 130.963 2.039 4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 690 128.996 4.316 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 690 128.914 3.110 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 690 132.045 4.058 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.966 2.752 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.830 4.119 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 690 129.839 5.210 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 690 131.057 3.915 5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 690 131.140 5.141 4.594 1.00 0.00 H new ATOM 816 N LYS A 691 130.688 -0.227 2.570 1.00 0.00 N ATOM 817 CA LYS A 691 131.474 -1.302 1.976 1.00 0.00 C ATOM 818 C LYS A 691 130.709 -1.974 0.838 1.00 0.00 C ATOM 819 O LYS A 691 131.273 -2.259 -0.218 1.00 0.00 O ATOM 820 CB LYS A 691 131.845 -2.338 3.042 1.00 0.00 C ATOM 821 CG LYS A 691 133.338 -2.424 3.313 1.00 0.00 C ATOM 822 CD LYS A 691 133.671 -3.594 4.225 1.00 0.00 C ATOM 823 CE LYS A 691 133.758 -3.156 5.678 1.00 0.00 C ATOM 824 NZ LYS A 691 133.558 -4.298 6.614 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.509 -0.338 3.568 1.00 0.00 H new ATOM 0 HA LYS A 691 132.386 -0.868 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.329 -2.093 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 691 131.484 -3.317 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 691 133.875 -2.532 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 691 133.680 -1.496 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 691 132.909 -4.367 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 691 134.619 -4.037 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 691 134.731 -2.701 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 691 133.006 -2.391 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 132.821 -4.055 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 133.265 -5.139 6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 134.448 -4.498 7.113 1.00 0.00 H new ATOM 838 N PHE A 692 129.424 -2.226 1.063 1.00 0.00 N ATOM 839 CA PHE A 692 128.583 -2.867 0.058 1.00 0.00 C ATOM 840 C PHE A 692 128.355 -1.946 -1.134 1.00 0.00 C ATOM 841 O PHE A 692 128.630 -2.311 -2.277 1.00 0.00 O ATOM 842 CB PHE A 692 127.241 -3.270 0.672 1.00 0.00 C ATOM 843 CG PHE A 692 126.341 -4.004 -0.281 1.00 0.00 C ATOM 844 CD1 PHE A 692 126.419 -5.382 -0.406 1.00 0.00 C ATOM 845 CD2 PHE A 692 125.417 -3.317 -1.052 1.00 0.00 C ATOM 846 CE1 PHE A 692 125.594 -6.061 -1.281 1.00 0.00 C ATOM 847 CE2 PHE A 692 124.589 -3.990 -1.930 1.00 0.00 C ATOM 848 CZ PHE A 692 124.676 -5.364 -2.044 1.00 0.00 C ATOM 0 H PHE A 692 128.942 -1.996 1.932 1.00 0.00 H new ATOM 0 HA PHE A 692 129.099 -3.760 -0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.424 -3.899 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 692 126.729 -2.375 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 692 127.134 -5.932 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 692 125.343 -2.243 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 692 125.666 -7.135 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 692 123.874 -3.442 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 692 124.028 -5.892 -2.728 1.00 0.00 H new ATOM 858 N PHE A 693 127.845 -0.749 -0.863 1.00 0.00 N ATOM 859 CA PHE A 693 127.576 0.226 -1.915 1.00 0.00 C ATOM 860 C PHE A 693 128.845 0.559 -2.693 1.00 0.00 C ATOM 861 O PHE A 693 128.790 0.876 -3.882 1.00 0.00 O ATOM 862 CB PHE A 693 126.981 1.502 -1.317 1.00 0.00 C ATOM 863 CG PHE A 693 125.479 1.505 -1.285 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.791 0.818 -0.298 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.754 2.196 -2.243 1.00 0.00 C ATOM 866 CE1 PHE A 693 123.409 0.820 -0.266 1.00 0.00 C ATOM 867 CE2 PHE A 693 123.372 2.202 -2.217 1.00 0.00 C ATOM 868 CZ PHE A 693 122.699 1.511 -1.228 1.00 0.00 C ATOM 0 H PHE A 693 127.609 -0.430 0.077 1.00 0.00 H new ATOM 0 HA PHE A 693 126.857 -0.215 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.358 1.628 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 693 127.326 2.360 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 693 125.341 0.274 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 693 125.275 2.736 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 693 122.885 0.282 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 693 122.819 2.746 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.619 1.511 -1.207 1.00 0.00 H new ATOM 878 N GLN A 694 129.988 0.486 -2.018 1.00 0.00 N ATOM 879 CA GLN A 694 131.269 0.782 -2.651 1.00 0.00 C ATOM 880 C GLN A 694 131.775 -0.419 -3.443 1.00 0.00 C ATOM 881 O GLN A 694 132.170 -0.289 -4.602 1.00 0.00 O ATOM 882 CB GLN A 694 132.302 1.183 -1.598 1.00 0.00 C ATOM 883 CG GLN A 694 132.170 2.625 -1.134 1.00 0.00 C ATOM 884 CD GLN A 694 133.512 3.312 -0.976 1.00 0.00 C ATOM 885 OE1 GLN A 694 134.507 2.682 -0.619 1.00 0.00 O ATOM 886 NE2 GLN A 694 133.545 4.612 -1.241 1.00 0.00 N ATOM 0 H GLN A 694 130.054 0.225 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 694 131.121 1.613 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 694 132.205 0.523 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 694 133.302 1.031 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 694 131.564 3.179 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 694 131.639 2.649 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 694 132.695 5.094 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 694 134.420 5.129 -1.152 1.00 0.00 H new ATOM 895 N ASN A 695 131.760 -1.589 -2.812 1.00 0.00 N ATOM 896 CA ASN A 695 132.218 -2.813 -3.458 1.00 0.00 C ATOM 897 C ASN A 695 131.421 -3.093 -4.727 1.00 0.00 C ATOM 898 O ASN A 695 131.934 -3.683 -5.678 1.00 0.00 O ATOM 899 CB ASN A 695 132.098 -3.997 -2.496 1.00 0.00 C ATOM 900 CG ASN A 695 133.350 -4.195 -1.664 1.00 0.00 C ATOM 901 OD1 ASN A 695 133.805 -5.321 -1.466 1.00 0.00 O ATOM 902 ND2 ASN A 695 133.913 -3.097 -1.171 1.00 0.00 N ATOM 0 H ASN A 695 131.435 -1.715 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 695 133.264 -2.678 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 695 131.246 -3.839 -1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 695 131.896 -4.905 -3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 695 134.757 -3.168 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 695 133.501 -2.183 -1.361 1.00 0.00 H new ATOM 909 N GLN A 696 130.162 -2.664 -4.738 1.00 0.00 N ATOM 910 CA GLN A 696 129.294 -2.869 -5.891 1.00 0.00 C ATOM 911 C GLN A 696 129.872 -2.201 -7.134 1.00 0.00 C ATOM 912 O GLN A 696 129.802 -2.749 -8.234 1.00 0.00 O ATOM 913 CB GLN A 696 127.895 -2.319 -5.607 1.00 0.00 C ATOM 914 CG GLN A 696 127.100 -3.157 -4.619 1.00 0.00 C ATOM 915 CD GLN A 696 126.072 -4.040 -5.300 1.00 0.00 C ATOM 916 OE1 GLN A 696 125.234 -3.561 -6.064 1.00 0.00 O ATOM 917 NE2 GLN A 696 126.131 -5.337 -5.025 1.00 0.00 N ATOM 0 H GLN A 696 129.721 -2.172 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 696 129.225 -3.941 -6.076 1.00 0.00 H new ATOM 0 HB2 GLN A 696 127.985 -1.304 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 696 127.342 -2.255 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 696 127.784 -3.780 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 696 126.596 -2.498 -3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 696 126.843 -5.691 -4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 696 125.465 -5.980 -5.453 1.00 0.00 H new ATOM 926 N ARG A 697 130.442 -1.015 -6.951 1.00 0.00 N ATOM 927 CA ARG A 697 131.034 -0.272 -8.059 1.00 0.00 C ATOM 928 C ARG A 697 132.391 -0.852 -8.443 1.00 0.00 C ATOM 929 O ARG A 697 132.769 -0.848 -9.614 1.00 0.00 O ATOM 930 CB ARG A 697 131.184 1.204 -7.686 1.00 0.00 C ATOM 931 CG ARG A 697 129.862 1.902 -7.414 1.00 0.00 C ATOM 932 CD ARG A 697 129.967 3.402 -7.634 1.00 0.00 C ATOM 933 NE ARG A 697 129.728 3.769 -9.028 1.00 0.00 N ATOM 934 CZ ARG A 697 130.083 4.938 -9.559 1.00 0.00 C ATOM 935 NH1 ARG A 697 130.694 5.853 -8.818 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 129.828 5.190 -10.835 1.00 0.00 N ATOM 0 H ARG A 697 130.507 -0.547 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 697 130.368 -0.358 -8.918 1.00 0.00 H new ATOM 0 HB2 ARG A 697 131.816 1.284 -6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 697 131.700 1.723 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 697 129.092 1.491 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 697 129.550 1.705 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 697 129.246 3.913 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 697 130.957 3.744 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 697 129.262 3.090 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 697 130.894 5.663 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 697 130.963 6.746 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 697 129.360 4.489 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 697 130.100 6.085 -11.242 1.00 0.00 H new ATOM 950 N TYR A 698 133.118 -1.350 -7.449 1.00 0.00 N ATOM 951 CA TYR A 698 134.435 -1.932 -7.685 1.00 0.00 C ATOM 952 C TYR A 698 134.325 -3.211 -8.510 1.00 0.00 C ATOM 953 O TYR A 698 135.060 -3.402 -9.480 1.00 0.00 O ATOM 954 CB TYR A 698 135.130 -2.229 -6.354 1.00 0.00 C ATOM 955 CG TYR A 698 135.984 -1.089 -5.849 1.00 0.00 C ATOM 956 CD1 TYR A 698 135.409 0.004 -5.211 1.00 0.00 C ATOM 957 CD2 TYR A 698 137.363 -1.104 -6.012 1.00 0.00 C ATOM 958 CE1 TYR A 698 136.187 1.049 -4.748 1.00 0.00 C ATOM 959 CE2 TYR A 698 138.147 -0.063 -5.551 1.00 0.00 C ATOM 960 CZ TYR A 698 137.554 1.011 -4.921 1.00 0.00 C ATOM 961 OH TYR A 698 138.331 2.050 -4.461 1.00 0.00 O ATOM 0 H TYR A 698 132.819 -1.363 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 698 135.029 -1.210 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 698 134.375 -2.466 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 698 135.754 -3.116 -6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 698 134.338 0.037 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 698 137.830 -1.942 -6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 698 135.726 1.891 -4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 698 139.218 -0.091 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 698 139.273 1.868 -4.661 1.00 0.00 H new ATOM 971 N TYR A 699 133.402 -4.084 -8.120 1.00 0.00 N ATOM 972 CA TYR A 699 133.196 -5.345 -8.826 1.00 0.00 C ATOM 973 C TYR A 699 132.810 -5.100 -10.280 1.00 0.00 C ATOM 974 O TYR A 699 133.115 -5.906 -11.159 1.00 0.00 O ATOM 975 CB TYR A 699 132.112 -6.171 -8.130 1.00 0.00 C ATOM 976 CG TYR A 699 131.848 -7.506 -8.791 1.00 0.00 C ATOM 977 CD1 TYR A 699 132.880 -8.407 -9.017 1.00 0.00 C ATOM 978 CD2 TYR A 699 130.565 -7.862 -9.189 1.00 0.00 C ATOM 979 CE1 TYR A 699 132.642 -9.626 -9.622 1.00 0.00 C ATOM 980 CE2 TYR A 699 130.319 -9.080 -9.793 1.00 0.00 C ATOM 981 CZ TYR A 699 131.360 -9.959 -10.007 1.00 0.00 C ATOM 982 OH TYR A 699 131.119 -11.172 -10.609 1.00 0.00 O ATOM 0 H TYR A 699 132.785 -3.942 -7.320 1.00 0.00 H new ATOM 0 HA TYR A 699 134.134 -5.899 -8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 699 132.405 -6.340 -7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 699 131.186 -5.596 -8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 699 133.885 -8.151 -8.715 1.00 0.00 H new ATOM 0 HD2 TYR A 699 129.748 -7.176 -9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 699 133.456 -10.315 -9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 699 129.316 -9.343 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 699 130.152 -11.305 -10.700 1.00 0.00 H new ATOM 992 N LEU A 700 132.136 -3.981 -10.530 1.00 0.00 N ATOM 993 CA LEU A 700 131.708 -3.631 -11.878 1.00 0.00 C ATOM 994 C LEU A 700 132.710 -2.690 -12.543 1.00 0.00 C ATOM 995 O LEU A 700 132.327 -1.716 -13.191 1.00 0.00 O ATOM 996 CB LEU A 700 130.322 -2.982 -11.844 1.00 0.00 C ATOM 997 CG LEU A 700 129.148 -3.961 -11.875 1.00 0.00 C ATOM 998 CD1 LEU A 700 128.940 -4.588 -10.504 1.00 0.00 C ATOM 999 CD2 LEU A 700 127.882 -3.258 -12.339 1.00 0.00 C ATOM 0 H LEU A 700 131.875 -3.302 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 700 131.657 -4.548 -12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 700 130.244 -2.374 -10.943 1.00 0.00 H new ATOM 0 HB3 LEU A 700 130.234 -2.305 -12.694 1.00 0.00 H new ATOM 0 HG LEU A 700 129.380 -4.756 -12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 700 128.100 -5.282 -10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 700 129.841 -5.126 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 700 128.729 -3.806 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 700 127.056 -3.969 -12.355 1.00 0.00 H new ATOM 0 HD22 LEU A 700 127.646 -2.444 -11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 700 128.035 -2.857 -13.341 1.00 0.00 H new ATOM 1011 N LYS A 701 133.994 -2.989 -12.375 1.00 0.00 N ATOM 1012 CA LYS A 701 135.051 -2.170 -12.959 1.00 0.00 C ATOM 1013 C LYS A 701 136.415 -2.831 -12.777 1.00 0.00 C ATOM 1014 O LYS A 701 137.115 -3.108 -13.750 1.00 0.00 O ATOM 1015 CB LYS A 701 135.053 -0.776 -12.325 1.00 0.00 C ATOM 1016 CG LYS A 701 134.753 0.340 -13.312 1.00 0.00 C ATOM 1017 CD LYS A 701 135.563 1.590 -13.003 1.00 0.00 C ATOM 1018 CE LYS A 701 136.062 2.257 -14.274 1.00 0.00 C ATOM 1019 NZ LYS A 701 137.402 2.878 -14.085 1.00 0.00 N1+ ATOM 0 H LYS A 701 134.328 -3.791 -11.840 1.00 0.00 H new ATOM 0 HA LYS A 701 134.856 -2.074 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 701 134.315 -0.749 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 701 136.026 -0.595 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 701 134.976 0.002 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 701 133.690 0.578 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 701 134.950 2.292 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 701 136.411 1.328 -12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 701 136.113 1.520 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 701 135.349 3.020 -14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 137.707 3.322 -14.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 137.348 3.600 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 138.088 2.146 -13.810 1.00 0.00 H new ATOM 1033 N HIS A 702 136.783 -3.081 -11.525 1.00 0.00 N ATOM 1034 CA HIS A 702 138.062 -3.709 -11.216 1.00 0.00 C ATOM 1035 C HIS A 702 138.151 -5.100 -11.837 1.00 0.00 C ATOM 1036 O HIS A 702 139.149 -5.446 -12.469 1.00 0.00 O ATOM 1037 CB HIS A 702 138.256 -3.802 -9.701 1.00 0.00 C ATOM 1038 CG HIS A 702 138.910 -2.593 -9.107 1.00 0.00 C ATOM 1039 ND1 HIS A 702 139.593 -2.619 -7.909 1.00 0.00 N ATOM 1040 CD2 HIS A 702 138.984 -1.315 -9.552 1.00 0.00 C ATOM 1041 CE1 HIS A 702 140.057 -1.411 -7.643 1.00 0.00 C ATOM 1042 NE2 HIS A 702 139.702 -0.603 -8.624 1.00 0.00 N ATOM 0 H HIS A 702 136.214 -2.858 -10.708 1.00 0.00 H new ATOM 0 HA HIS A 702 138.853 -3.090 -11.640 1.00 0.00 H new ATOM 0 HB2 HIS A 702 137.286 -3.950 -9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 702 138.860 -4.681 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 702 138.558 -0.929 -10.466 1.00 0.00 H new ATOM 0 HE1 HIS A 702 140.630 -1.132 -6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 702 139.925 0.391 -8.683 1.00 0.00 H new ATOM 1051 N HIS A 703 137.101 -5.894 -11.652 1.00 0.00 N ATOM 1052 CA HIS A 703 137.061 -7.246 -12.194 1.00 0.00 C ATOM 1053 C HIS A 703 136.317 -7.279 -13.525 1.00 0.00 C ATOM 1054 O HIS A 703 136.917 -7.488 -14.578 1.00 0.00 O ATOM 1055 CB HIS A 703 136.392 -8.196 -11.200 1.00 0.00 C ATOM 1056 CG HIS A 703 137.211 -8.449 -9.971 1.00 0.00 C ATOM 1057 ND1 HIS A 703 138.586 -8.354 -9.951 1.00 0.00 N ATOM 1058 CD2 HIS A 703 136.840 -8.795 -8.714 1.00 0.00 C ATOM 1059 CE1 HIS A 703 139.027 -8.631 -8.736 1.00 0.00 C ATOM 1060 NE2 HIS A 703 137.988 -8.901 -7.967 1.00 0.00 N ATOM 0 H HIS A 703 136.267 -5.624 -11.131 1.00 0.00 H new ATOM 0 HA HIS A 703 138.087 -7.572 -12.365 1.00 0.00 H new ATOM 0 HB2 HIS A 703 135.428 -7.781 -10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 703 136.192 -9.146 -11.696 1.00 0.00 H new ATOM 0 HD2 HIS A 703 135.831 -8.957 -8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 703 140.061 -8.636 -8.425 1.00 0.00 H new ATOM 0 HE2 HIS A 703 138.031 -9.148 -6.978 1.00 0.00 H new ATOM 1069 N GLY A 704 135.005 -7.071 -13.468 1.00 0.00 N ATOM 1070 CA GLY A 704 134.200 -7.081 -14.677 1.00 0.00 C ATOM 1071 C GLY A 704 133.386 -8.352 -14.820 1.00 0.00 C ATOM 1072 O GLY A 704 132.228 -8.311 -15.234 1.00 0.00 O ATOM 0 H GLY A 704 134.485 -6.896 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 704 133.529 -6.222 -14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 704 134.851 -6.970 -15.544 1.00 0.00 H new ATOM 1076 N LYS A 705 133.994 -9.482 -14.477 1.00 0.00 N ATOM 1077 CA LYS A 705 133.317 -10.771 -14.569 1.00 0.00 C ATOM 1078 C LYS A 705 133.837 -11.735 -13.508 1.00 0.00 C ATOM 1079 O LYS A 705 135.029 -11.748 -13.196 1.00 0.00 O ATOM 1080 CB LYS A 705 133.510 -11.374 -15.961 1.00 0.00 C ATOM 1081 CG LYS A 705 132.668 -10.705 -17.035 1.00 0.00 C ATOM 1082 CD LYS A 705 132.082 -11.723 -18.000 1.00 0.00 C ATOM 1083 CE LYS A 705 130.644 -12.067 -17.642 1.00 0.00 C ATOM 1084 NZ LYS A 705 130.361 -13.520 -17.811 1.00 0.00 N1+ ATOM 0 H LYS A 705 134.953 -9.532 -14.133 1.00 0.00 H new ATOM 0 HA LYS A 705 132.253 -10.608 -14.396 1.00 0.00 H new ATOM 0 HB2 LYS A 705 134.562 -11.300 -16.237 1.00 0.00 H new ATOM 0 HB3 LYS A 705 133.263 -12.435 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 705 131.862 -10.140 -16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 705 133.280 -9.991 -17.586 1.00 0.00 H new ATOM 0 HD2 LYS A 705 132.121 -11.328 -19.015 1.00 0.00 H new ATOM 0 HD3 LYS A 705 132.688 -12.629 -17.987 1.00 0.00 H new ATOM 0 HE2 LYS A 705 130.448 -11.777 -16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 705 129.966 -11.490 -18.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 129.371 -13.713 -17.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 130.524 -13.792 -18.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 130.991 -14.070 -17.193 1.00 0.00 H new ATOM 1098 N LEU A 706 132.938 -12.541 -12.954 1.00 0.00 N ATOM 1099 CA LEU A 706 133.306 -13.508 -11.927 1.00 0.00 C ATOM 1100 C LEU A 706 134.124 -14.650 -12.523 1.00 0.00 C ATOM 1101 O LEU A 706 133.835 -15.127 -13.621 1.00 0.00 O ATOM 1102 CB LEU A 706 132.052 -14.061 -11.246 1.00 0.00 C ATOM 1103 CG LEU A 706 132.147 -14.191 -9.724 1.00 0.00 C ATOM 1104 CD1 LEU A 706 130.849 -13.747 -9.067 1.00 0.00 C ATOM 1105 CD2 LEU A 706 132.484 -15.622 -9.331 1.00 0.00 C ATOM 0 H LEU A 706 131.948 -12.544 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 706 133.919 -12.998 -11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 706 131.210 -13.413 -11.488 1.00 0.00 H new ATOM 0 HB3 LEU A 706 131.831 -15.042 -11.666 1.00 0.00 H new ATOM 0 HG LEU A 706 132.948 -13.541 -9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 706 130.936 -13.847 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 706 130.650 -12.706 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 706 130.029 -14.370 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 706 132.548 -15.696 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 706 131.706 -16.292 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 706 133.441 -15.904 -9.770 1.00 0.00 H new ATOM 1117 N LYS A 707 135.146 -15.084 -11.791 1.00 0.00 N ATOM 1118 CA LYS A 707 136.005 -16.171 -12.248 1.00 0.00 C ATOM 1119 C LYS A 707 136.393 -17.081 -11.088 1.00 0.00 C ATOM 1120 O LYS A 707 136.398 -18.315 -11.282 1.00 0.00 O ATOM 1121 CB LYS A 707 137.263 -15.608 -12.912 1.00 0.00 C ATOM 1122 CG LYS A 707 138.147 -14.812 -11.968 1.00 0.00 C ATOM 1123 CD LYS A 707 139.299 -15.651 -11.440 1.00 0.00 C ATOM 1124 CE LYS A 707 140.583 -14.842 -11.350 1.00 0.00 C ATOM 1125 NZ LYS A 707 141.785 -15.674 -11.635 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 136.690 -16.553 -9.995 1.00 0.00 O ATOM 0 H LYS A 707 135.399 -14.700 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 707 135.449 -16.759 -12.978 1.00 0.00 H new ATOM 0 HB2 LYS A 707 137.842 -16.431 -13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 707 136.969 -14.970 -13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 707 138.541 -13.938 -12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 707 137.551 -14.445 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 707 139.044 -16.042 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 707 139.454 -16.510 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 707 140.540 -14.013 -12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 707 140.670 -14.408 -10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 142.639 -15.085 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 141.841 -16.451 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 141.715 -16.068 -12.595 1.00 0.00 H new TER 1140 LYS A 707