USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 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 Single : A 641 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 643 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 644 LYS NZ :NH3+ 146:sc= -0.288 (180deg=-1.36!) USER MOD Single : A 645 THR OG1 : rot 37:sc= 0.459 USER MOD Single : A 649 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 650 LYS NZ :NH3+ 155:sc= -0.08 (180deg=-0.427) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 660 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.8) USER MOD Single : A 661 SER OG : rot 74:sc= 0.134 USER MOD Single : A 664 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.6!) USER MOD Single : A 669 TYR OH : rot 180:sc= 0 USER MOD Single : A 676 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.3!) USER MOD Single : A 677 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 679 SER OG : rot 77:sc= 1.11 USER MOD Single : A 681 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.1!) USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 688 THR OG1 : rot -40:sc= -0.545 USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 694 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 695 ASN :FLIP amide:sc= 0.855 F(o=-0.43,f=0.86) USER MOD Single : A 696 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.49) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 40:sc= 0.115 USER MOD Single : A 701 LYS NZ :NH3+ -174:sc= -1.15 (180deg=-1.42) USER MOD Single : A 702 HIS : no HD1:sc= -0.929 X(o=-0.93,f=-1.2) USER MOD Single : A 703 HIS :FLIP no HD1:sc= -0.304 F(o=-1.3,f=-0.3) 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 641 130.864 -30.449 -5.886 1.00 0.00 N ATOM 2 CA ASN A 641 132.104 -31.224 -5.618 1.00 0.00 C ATOM 3 C ASN A 641 133.118 -30.387 -4.843 1.00 0.00 C ATOM 4 O ASN A 641 132.922 -29.189 -4.640 1.00 0.00 O ATOM 5 CB ASN A 641 132.696 -31.672 -6.956 1.00 0.00 C ATOM 6 CG ASN A 641 132.580 -33.169 -7.167 1.00 0.00 C ATOM 7 OD1 ASN A 641 131.735 -33.636 -7.930 1.00 0.00 O ATOM 8 ND2 ASN A 641 133.431 -33.930 -6.487 1.00 0.00 N ATOM 0 HA ASN A 641 131.861 -32.093 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 641 132.186 -31.153 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 641 133.746 -31.382 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 641 133.400 -34.945 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 641 134.115 -33.500 -5.865 1.00 0.00 H new ATOM 15 N ARG A 642 134.200 -31.026 -4.410 1.00 0.00 N ATOM 16 CA ARG A 642 135.241 -30.337 -3.654 1.00 0.00 C ATOM 17 C ARG A 642 134.679 -29.766 -2.357 1.00 0.00 C ATOM 18 O ARG A 642 133.473 -29.821 -2.115 1.00 0.00 O ATOM 19 CB ARG A 642 135.857 -29.218 -4.497 1.00 0.00 C ATOM 20 CG ARG A 642 137.172 -29.604 -5.156 1.00 0.00 C ATOM 21 CD ARG A 642 138.168 -28.455 -5.129 1.00 0.00 C ATOM 22 NE ARG A 642 137.657 -27.271 -5.812 1.00 0.00 N ATOM 23 CZ ARG A 642 137.607 -27.142 -7.137 1.00 0.00 C ATOM 24 NH1 ARG A 642 138.034 -28.124 -7.921 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 137.129 -26.029 -7.678 1.00 0.00 N ATOM 0 H ARG A 642 134.379 -32.018 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 642 136.017 -31.061 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 642 135.146 -28.923 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 642 136.020 -28.346 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 642 137.597 -30.467 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 642 136.989 -29.904 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 642 138.403 -28.204 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 642 139.099 -28.771 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 642 137.318 -26.497 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 642 138.402 -28.982 -7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 642 137.994 -28.021 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 642 136.800 -25.272 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 642 137.091 -25.931 -8.693 1.00 0.00 H new ATOM 39 N GLN A 643 135.559 -29.217 -1.527 1.00 0.00 N ATOM 40 CA GLN A 643 135.147 -28.634 -0.255 1.00 0.00 C ATOM 41 C GLN A 643 134.897 -27.137 -0.401 1.00 0.00 C ATOM 42 O GLN A 643 135.836 -26.347 -0.507 1.00 0.00 O ATOM 43 CB GLN A 643 136.211 -28.888 0.815 1.00 0.00 C ATOM 44 CG GLN A 643 135.875 -30.045 1.742 1.00 0.00 C ATOM 45 CD GLN A 643 135.247 -29.586 3.043 1.00 0.00 C ATOM 46 OE1 GLN A 643 134.030 -29.647 3.216 1.00 0.00 O ATOM 47 NE2 GLN A 643 136.078 -29.120 3.969 1.00 0.00 N ATOM 0 H GLN A 643 136.561 -29.163 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 643 134.216 -29.110 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 643 137.165 -29.089 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 643 136.341 -27.983 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 643 135.193 -30.726 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 643 136.783 -30.607 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 643 137.081 -29.087 3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 643 135.713 -28.795 4.865 1.00 0.00 H new ATOM 56 N LYS A 644 133.625 -26.752 -0.405 1.00 0.00 N ATOM 57 CA LYS A 644 133.250 -25.350 -0.539 1.00 0.00 C ATOM 58 C LYS A 644 132.126 -24.994 0.429 1.00 0.00 C ATOM 59 O LYS A 644 130.962 -24.904 0.037 1.00 0.00 O ATOM 60 CB LYS A 644 132.817 -25.051 -1.976 1.00 0.00 C ATOM 61 CG LYS A 644 132.816 -23.570 -2.315 1.00 0.00 C ATOM 62 CD LYS A 644 132.793 -23.342 -3.817 1.00 0.00 C ATOM 63 CE LYS A 644 133.660 -22.160 -4.215 1.00 0.00 C ATOM 64 NZ LYS A 644 135.050 -22.292 -3.698 1.00 0.00 N1+ ATOM 0 H LYS A 644 132.836 -27.392 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 644 134.121 -24.741 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 644 133.483 -25.572 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 644 131.816 -25.453 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 644 131.948 -23.092 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 644 133.700 -23.097 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 644 133.143 -24.239 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 644 131.768 -23.169 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 644 133.683 -22.076 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 644 133.217 -21.240 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 135.715 -21.874 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 135.130 -21.796 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 135.277 -23.298 -3.566 1.00 0.00 H new ATOM 78 N THR A 645 132.482 -24.791 1.693 1.00 0.00 N ATOM 79 CA THR A 645 131.503 -24.446 2.716 1.00 0.00 C ATOM 80 C THR A 645 131.129 -22.969 2.643 1.00 0.00 C ATOM 81 O THR A 645 131.984 -22.095 2.782 1.00 0.00 O ATOM 82 CB THR A 645 132.031 -24.759 4.129 1.00 0.00 C ATOM 83 OG1 THR A 645 133.240 -24.031 4.374 1.00 0.00 O ATOM 84 CG2 THR A 645 132.291 -26.249 4.290 1.00 0.00 C ATOM 0 H THR A 645 133.441 -24.860 2.033 1.00 0.00 H new ATOM 0 HA THR A 645 130.619 -25.053 2.524 1.00 0.00 H new ATOM 0 HB THR A 645 131.273 -24.457 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 645 133.178 -23.145 3.960 1.00 0.00 H new ATOM 0 HG21 THR A 645 132.663 -26.447 5.295 1.00 0.00 H new ATOM 0 HG22 THR A 645 131.364 -26.799 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 645 133.033 -26.570 3.559 1.00 0.00 H new ATOM 92 N ARG A 646 129.847 -22.699 2.423 1.00 0.00 N ATOM 93 CA ARG A 646 129.359 -21.328 2.331 1.00 0.00 C ATOM 94 C ARG A 646 127.883 -21.248 2.720 1.00 0.00 C ATOM 95 O ARG A 646 127.037 -20.870 1.909 1.00 0.00 O ATOM 96 CB ARG A 646 129.559 -20.789 0.913 1.00 0.00 C ATOM 97 CG ARG A 646 129.217 -19.314 0.768 1.00 0.00 C ATOM 98 CD ARG A 646 128.426 -19.045 -0.502 1.00 0.00 C ATOM 99 NE ARG A 646 128.670 -17.703 -1.025 1.00 0.00 N ATOM 100 CZ ARG A 646 128.277 -17.294 -2.229 1.00 0.00 C ATOM 101 NH1 ARG A 646 127.623 -18.119 -3.037 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 128.539 -16.056 -2.627 1.00 0.00 N ATOM 0 H ARG A 646 129.127 -23.412 2.305 1.00 0.00 H new ATOM 0 HA ARG A 646 129.931 -20.715 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 646 130.597 -20.943 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 646 128.942 -21.366 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 646 128.640 -18.987 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 646 130.135 -18.726 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 646 128.693 -19.783 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 646 127.362 -19.167 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 646 129.171 -17.041 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 646 127.419 -19.072 -2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 646 127.324 -17.800 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 646 129.042 -15.418 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 646 128.238 -15.742 -3.550 1.00 0.00 H new ATOM 116 N PRO A 647 127.555 -21.604 3.974 1.00 0.00 N ATOM 117 CA PRO A 647 126.175 -21.572 4.468 1.00 0.00 C ATOM 118 C PRO A 647 125.659 -20.149 4.656 1.00 0.00 C ATOM 119 O PRO A 647 124.459 -19.895 4.568 1.00 0.00 O ATOM 120 CB PRO A 647 126.263 -22.292 5.815 1.00 0.00 C ATOM 121 CG PRO A 647 127.670 -22.089 6.260 1.00 0.00 C ATOM 122 CD PRO A 647 128.502 -22.068 5.007 1.00 0.00 C ATOM 0 HA PRO A 647 125.481 -22.035 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 647 125.556 -21.876 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 647 126.028 -23.352 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 647 127.774 -21.155 6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 647 127.988 -22.891 6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 647 129.354 -21.395 5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 647 128.900 -23.055 4.773 1.00 0.00 H new ATOM 130 N ARG A 648 126.577 -19.222 4.918 1.00 0.00 N ATOM 131 CA ARG A 648 126.214 -17.825 5.119 1.00 0.00 C ATOM 132 C ARG A 648 127.460 -16.956 5.266 1.00 0.00 C ATOM 133 O ARG A 648 128.022 -16.838 6.356 1.00 0.00 O ATOM 134 CB ARG A 648 125.325 -17.680 6.356 1.00 0.00 C ATOM 135 CG ARG A 648 123.885 -17.319 6.031 1.00 0.00 C ATOM 136 CD ARG A 648 122.919 -17.912 7.043 1.00 0.00 C ATOM 137 NE ARG A 648 122.984 -17.221 8.329 1.00 0.00 N ATOM 138 CZ ARG A 648 122.529 -17.734 9.471 1.00 0.00 C ATOM 139 NH1 ARG A 648 121.977 -18.942 9.490 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 122.627 -17.039 10.596 1.00 0.00 N ATOM 0 H ARG A 648 127.576 -19.414 4.996 1.00 0.00 H new ATOM 0 HA ARG A 648 125.660 -17.488 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 648 125.339 -18.616 6.915 1.00 0.00 H new ATOM 0 HB3 ARG A 648 125.745 -16.913 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 648 123.776 -16.235 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 648 123.635 -17.680 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 648 121.903 -17.855 6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 648 123.147 -18.968 7.187 1.00 0.00 H new ATOM 0 HE ARG A 648 123.402 -16.291 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 648 121.900 -19.481 8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 648 121.630 -19.330 10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 648 123.051 -16.111 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 648 122.278 -17.432 11.470 1.00 0.00 H new ATOM 154 N THR A 649 127.885 -16.349 4.163 1.00 0.00 N ATOM 155 CA THR A 649 129.063 -15.490 4.170 1.00 0.00 C ATOM 156 C THR A 649 128.799 -14.205 4.943 1.00 0.00 C ATOM 157 O THR A 649 129.399 -13.960 5.990 1.00 0.00 O ATOM 158 CB THR A 649 129.510 -15.133 2.739 1.00 0.00 C ATOM 159 OG1 THR A 649 128.375 -15.091 1.865 1.00 0.00 O ATOM 160 CG2 THR A 649 130.521 -16.146 2.220 1.00 0.00 C ATOM 0 H THR A 649 127.431 -16.436 3.254 1.00 0.00 H new ATOM 0 HA THR A 649 129.859 -16.050 4.660 1.00 0.00 H new ATOM 0 HB THR A 649 129.983 -14.151 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 649 128.668 -14.862 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 649 130.822 -15.874 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 649 131.396 -16.152 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 649 130.070 -17.138 2.210 1.00 0.00 H new ATOM 168 N LYS A 650 127.895 -13.389 4.418 1.00 0.00 N ATOM 169 CA LYS A 650 127.542 -12.124 5.053 1.00 0.00 C ATOM 170 C LYS A 650 126.308 -11.514 4.396 1.00 0.00 C ATOM 171 O LYS A 650 126.207 -11.458 3.171 1.00 0.00 O ATOM 172 CB LYS A 650 128.717 -11.147 4.978 1.00 0.00 C ATOM 173 CG LYS A 650 129.409 -10.923 6.313 1.00 0.00 C ATOM 174 CD LYS A 650 130.766 -10.261 6.134 1.00 0.00 C ATOM 175 CE LYS A 650 130.701 -8.770 6.422 1.00 0.00 C ATOM 176 NZ LYS A 650 130.388 -8.495 7.852 1.00 0.00 N1+ ATOM 0 H LYS A 650 127.391 -13.580 3.552 1.00 0.00 H new ATOM 0 HA LYS A 650 127.312 -12.320 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 650 129.445 -11.522 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 650 128.359 -10.190 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 650 128.781 -10.300 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 650 129.533 -11.878 6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 650 131.491 -10.730 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 650 131.118 -10.421 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 650 131.654 -8.308 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 650 129.942 -8.310 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 130.754 -7.557 8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 129.358 -8.516 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 130.834 -9.219 8.450 1.00 0.00 H new ATOM 190 N ILE A 651 125.370 -11.057 5.220 1.00 0.00 N ATOM 191 CA ILE A 651 124.142 -10.450 4.719 1.00 0.00 C ATOM 192 C ILE A 651 123.296 -11.467 3.963 1.00 0.00 C ATOM 193 O ILE A 651 123.704 -11.976 2.919 1.00 0.00 O ATOM 194 CB ILE A 651 124.441 -9.257 3.792 1.00 0.00 C ATOM 195 CG1 ILE A 651 125.452 -8.314 4.446 1.00 0.00 C ATOM 196 CG2 ILE A 651 123.157 -8.513 3.454 1.00 0.00 C ATOM 197 CD1 ILE A 651 126.099 -7.352 3.472 1.00 0.00 C ATOM 0 H ILE A 651 125.437 -11.096 6.237 1.00 0.00 H new ATOM 0 HA ILE A 651 123.588 -10.094 5.588 1.00 0.00 H new ATOM 0 HB ILE A 651 124.873 -9.636 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 651 124.952 -7.744 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 651 126.229 -8.906 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 651 123.385 -7.673 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 651 122.466 -9.189 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 651 122.698 -8.143 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 651 126.804 -6.714 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 651 126.628 -7.914 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 651 125.331 -6.734 3.006 1.00 0.00 H new ATOM 209 N SER A 652 122.113 -11.758 4.495 1.00 0.00 N ATOM 210 CA SER A 652 121.207 -12.714 3.871 1.00 0.00 C ATOM 211 C SER A 652 120.565 -12.123 2.621 1.00 0.00 C ATOM 212 O SER A 652 120.711 -10.932 2.341 1.00 0.00 O ATOM 213 CB SER A 652 120.123 -13.143 4.861 1.00 0.00 C ATOM 214 OG SER A 652 119.806 -14.516 4.710 1.00 0.00 O ATOM 0 H SER A 652 121.760 -11.344 5.358 1.00 0.00 H new ATOM 0 HA SER A 652 121.789 -13.588 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 652 120.462 -12.955 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 652 119.227 -12.541 4.707 1.00 0.00 H new ATOM 0 HG SER A 652 119.112 -14.764 5.356 1.00 0.00 H new ATOM 220 N VAL A 653 119.855 -12.959 1.873 1.00 0.00 N ATOM 221 CA VAL A 653 119.189 -12.520 0.652 1.00 0.00 C ATOM 222 C VAL A 653 118.135 -11.459 0.952 1.00 0.00 C ATOM 223 O VAL A 653 117.868 -10.584 0.129 1.00 0.00 O ATOM 224 CB VAL A 653 118.521 -13.699 -0.081 1.00 0.00 C ATOM 225 CG1 VAL A 653 117.965 -13.249 -1.424 1.00 0.00 C ATOM 226 CG2 VAL A 653 119.507 -14.845 -0.261 1.00 0.00 C ATOM 0 H VAL A 653 119.725 -13.947 2.091 1.00 0.00 H new ATOM 0 HA VAL A 653 119.959 -12.093 0.009 1.00 0.00 H new ATOM 0 HB VAL A 653 117.691 -14.057 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 653 117.497 -14.096 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 653 117.224 -12.466 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 653 118.775 -12.863 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 653 119.017 -15.668 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 653 120.360 -14.503 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 653 119.851 -15.186 0.716 1.00 0.00 H new ATOM 236 N GLU A 654 117.539 -11.542 2.137 1.00 0.00 N ATOM 237 CA GLU A 654 116.514 -10.588 2.546 1.00 0.00 C ATOM 238 C GLU A 654 117.065 -9.167 2.553 1.00 0.00 C ATOM 239 O GLU A 654 116.404 -8.231 2.102 1.00 0.00 O ATOM 240 CB GLU A 654 115.976 -10.948 3.933 1.00 0.00 C ATOM 241 CG GLU A 654 114.808 -11.920 3.898 1.00 0.00 C ATOM 242 CD GLU A 654 114.933 -13.019 4.935 1.00 0.00 C ATOM 243 OE1 GLU A 654 115.860 -13.847 4.813 1.00 0.00 O ATOM 244 OE2 GLU A 654 114.104 -13.052 5.870 1.00 0.00 O1- ATOM 0 H GLU A 654 117.748 -12.260 2.831 1.00 0.00 H new ATOM 0 HA GLU A 654 115.698 -10.637 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 654 116.782 -11.382 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 654 115.664 -10.035 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 654 113.880 -11.373 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 654 114.742 -12.367 2.906 1.00 0.00 H new ATOM 251 N ALA A 655 118.281 -9.011 3.069 1.00 0.00 N ATOM 252 CA ALA A 655 118.922 -7.704 3.134 1.00 0.00 C ATOM 253 C ALA A 655 119.341 -7.230 1.748 1.00 0.00 C ATOM 254 O ALA A 655 119.212 -6.050 1.418 1.00 0.00 O ATOM 255 CB ALA A 655 120.125 -7.751 4.066 1.00 0.00 C ATOM 0 H ALA A 655 118.841 -9.775 3.448 1.00 0.00 H new ATOM 0 HA ALA A 655 118.199 -6.991 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 655 120.594 -6.768 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 655 119.800 -8.037 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 655 120.844 -8.482 3.695 1.00 0.00 H new ATOM 261 N LEU A 656 119.844 -8.156 0.938 1.00 0.00 N ATOM 262 CA LEU A 656 120.282 -7.832 -0.415 1.00 0.00 C ATOM 263 C LEU A 656 119.097 -7.439 -1.291 1.00 0.00 C ATOM 264 O LEU A 656 119.197 -6.531 -2.116 1.00 0.00 O ATOM 265 CB LEU A 656 121.016 -9.024 -1.034 1.00 0.00 C ATOM 266 CG LEU A 656 122.078 -8.661 -2.073 1.00 0.00 C ATOM 267 CD1 LEU A 656 123.331 -8.131 -1.395 1.00 0.00 C ATOM 268 CD2 LEU A 656 122.407 -9.867 -2.940 1.00 0.00 C ATOM 0 H LEU A 656 119.958 -9.136 1.195 1.00 0.00 H new ATOM 0 HA LEU A 656 120.964 -6.984 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 656 121.491 -9.594 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 656 120.282 -9.681 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 656 121.679 -7.875 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 656 124.075 -7.878 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 656 123.083 -7.240 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 656 123.735 -8.894 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 656 123.164 -9.592 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 656 122.786 -10.674 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 656 121.507 -10.201 -3.455 1.00 0.00 H new ATOM 280 N GLY A 657 117.976 -8.129 -1.105 1.00 0.00 N ATOM 281 CA GLY A 657 116.789 -7.836 -1.885 1.00 0.00 C ATOM 282 C GLY A 657 116.311 -6.410 -1.700 1.00 0.00 C ATOM 283 O GLY A 657 115.958 -5.735 -2.668 1.00 0.00 O ATOM 0 H GLY A 657 117.869 -8.885 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 657 116.999 -8.011 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 657 115.992 -8.523 -1.600 1.00 0.00 H new ATOM 287 N ILE A 658 116.301 -5.948 -0.454 1.00 0.00 N ATOM 288 CA ILE A 658 115.865 -4.591 -0.145 1.00 0.00 C ATOM 289 C ILE A 658 116.881 -3.566 -0.635 1.00 0.00 C ATOM 290 O ILE A 658 116.514 -2.496 -1.122 1.00 0.00 O ATOM 291 CB ILE A 658 115.647 -4.400 1.369 1.00 0.00 C ATOM 292 CG1 ILE A 658 114.744 -5.505 1.920 1.00 0.00 C ATOM 293 CG2 ILE A 658 115.049 -3.031 1.651 1.00 0.00 C ATOM 294 CD1 ILE A 658 114.725 -5.572 3.432 1.00 0.00 C ATOM 0 H ILE A 658 116.590 -6.493 0.358 1.00 0.00 H new ATOM 0 HA ILE A 658 114.917 -4.437 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 658 116.613 -4.462 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 658 113.728 -5.347 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 658 115.077 -6.465 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 658 114.901 -2.913 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 658 115.726 -2.257 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 658 114.090 -2.941 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 658 114.065 -6.378 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 658 115.733 -5.761 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 658 114.364 -4.625 3.834 1.00 0.00 H new ATOM 306 N LEU A 659 118.161 -3.900 -0.503 1.00 0.00 N ATOM 307 CA LEU A 659 119.232 -3.008 -0.933 1.00 0.00 C ATOM 308 C LEU A 659 119.234 -2.853 -2.450 1.00 0.00 C ATOM 309 O LEU A 659 119.442 -1.757 -2.972 1.00 0.00 O ATOM 310 CB LEU A 659 120.586 -3.539 -0.461 1.00 0.00 C ATOM 311 CG LEU A 659 120.881 -3.336 1.025 1.00 0.00 C ATOM 312 CD1 LEU A 659 122.082 -4.165 1.450 1.00 0.00 C ATOM 313 CD2 LEU A 659 121.114 -1.862 1.325 1.00 0.00 C ATOM 0 H LEU A 659 118.482 -4.781 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 659 119.058 -2.029 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 659 120.638 -4.605 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 659 121.371 -3.054 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 659 120.015 -3.671 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 659 122.276 -4.007 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 659 121.877 -5.221 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 659 122.956 -3.863 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 659 121.323 -1.735 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 659 121.962 -1.502 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 659 120.224 -1.292 1.060 1.00 0.00 H new ATOM 325 N GLN A 660 119.001 -3.956 -3.153 1.00 0.00 N ATOM 326 CA GLN A 660 118.974 -3.943 -4.611 1.00 0.00 C ATOM 327 C GLN A 660 117.906 -2.984 -5.128 1.00 0.00 C ATOM 328 O GLN A 660 118.117 -2.275 -6.113 1.00 0.00 O ATOM 329 CB GLN A 660 118.718 -5.350 -5.152 1.00 0.00 C ATOM 330 CG GLN A 660 119.989 -6.144 -5.410 1.00 0.00 C ATOM 331 CD GLN A 660 119.905 -6.984 -6.670 1.00 0.00 C ATOM 332 OE1 GLN A 660 119.352 -6.553 -7.682 1.00 0.00 O ATOM 333 NE2 GLN A 660 120.453 -8.192 -6.612 1.00 0.00 N ATOM 0 H GLN A 660 118.828 -4.871 -2.736 1.00 0.00 H new ATOM 0 HA GLN A 660 119.947 -3.599 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 660 118.097 -5.896 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.151 -5.276 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 660 120.832 -5.458 -5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 660 120.187 -6.793 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 660 120.901 -8.508 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 660 120.426 -8.804 -7.428 1.00 0.00 H new ATOM 342 N SER A 661 116.760 -2.967 -4.456 1.00 0.00 N ATOM 343 CA SER A 661 115.658 -2.094 -4.848 1.00 0.00 C ATOM 344 C SER A 661 116.050 -0.626 -4.703 1.00 0.00 C ATOM 345 O SER A 661 115.649 0.214 -5.507 1.00 0.00 O ATOM 346 CB SER A 661 114.419 -2.390 -3.999 1.00 0.00 C ATOM 347 OG SER A 661 113.994 -3.731 -4.169 1.00 0.00 O ATOM 0 H SER A 661 116.569 -3.547 -3.639 1.00 0.00 H new ATOM 0 HA SER A 661 115.427 -2.288 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 661 114.642 -2.206 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 661 113.613 -1.711 -4.277 1.00 0.00 H new ATOM 0 HG SER A 661 114.612 -4.332 -3.702 1.00 0.00 H new ATOM 353 N PHE A 662 116.833 -0.327 -3.672 1.00 0.00 N ATOM 354 CA PHE A 662 117.278 1.038 -3.422 1.00 0.00 C ATOM 355 C PHE A 662 118.243 1.504 -4.508 1.00 0.00 C ATOM 356 O PHE A 662 118.288 2.687 -4.847 1.00 0.00 O ATOM 357 CB PHE A 662 117.950 1.134 -2.051 1.00 0.00 C ATOM 358 CG PHE A 662 118.160 2.545 -1.582 1.00 0.00 C ATOM 359 CD1 PHE A 662 117.103 3.286 -1.076 1.00 0.00 C ATOM 360 CD2 PHE A 662 119.414 3.132 -1.647 1.00 0.00 C ATOM 361 CE1 PHE A 662 117.292 4.584 -0.646 1.00 0.00 C ATOM 362 CE2 PHE A 662 119.610 4.431 -1.216 1.00 0.00 C ATOM 363 CZ PHE A 662 118.547 5.158 -0.714 1.00 0.00 C ATOM 0 H PHE A 662 117.172 -1.012 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 662 116.403 1.687 -3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.341 0.604 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 662 118.914 0.626 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 662 116.120 2.842 -1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 662 120.248 2.568 -2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 662 116.459 5.151 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 662 120.592 4.877 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 662 118.697 6.173 -0.376 1.00 0.00 H new ATOM 373 N ILE A 663 119.013 0.567 -5.049 1.00 0.00 N ATOM 374 CA ILE A 663 119.978 0.880 -6.097 1.00 0.00 C ATOM 375 C ILE A 663 119.282 1.112 -7.434 1.00 0.00 C ATOM 376 O ILE A 663 119.758 1.881 -8.268 1.00 0.00 O ATOM 377 CB ILE A 663 121.017 -0.247 -6.258 1.00 0.00 C ATOM 378 CG1 ILE A 663 121.631 -0.603 -4.904 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.102 0.163 -7.245 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.173 -2.015 -4.838 1.00 0.00 C ATOM 0 H ILE A 663 118.988 -0.416 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 663 120.489 1.794 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 663 120.511 -1.129 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 663 122.437 0.097 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 663 120.877 -0.475 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 663 122.826 -0.645 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 663 121.652 0.370 -8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 663 122.606 1.058 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 663 122.593 -2.198 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 663 121.366 -2.724 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 663 122.950 -2.142 -5.591 1.00 0.00 H new ATOM 392 N GLN A 664 118.153 0.440 -7.632 1.00 0.00 N ATOM 393 CA GLN A 664 117.391 0.572 -8.870 1.00 0.00 C ATOM 394 C GLN A 664 116.522 1.827 -8.849 1.00 0.00 C ATOM 395 O GLN A 664 116.208 2.391 -9.896 1.00 0.00 O ATOM 396 CB GLN A 664 116.517 -0.664 -9.088 1.00 0.00 C ATOM 397 CG GLN A 664 117.248 -1.816 -9.758 1.00 0.00 C ATOM 398 CD GLN A 664 116.504 -3.131 -9.631 1.00 0.00 C ATOM 399 OE1 GLN A 664 115.566 -3.253 -8.843 1.00 0.00 O ATOM 400 NE2 GLN A 664 116.921 -4.124 -10.408 1.00 0.00 N ATOM 0 H GLN A 664 117.745 -0.201 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 664 118.099 0.660 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 664 116.131 -1.000 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 664 115.657 -0.387 -9.697 1.00 0.00 H new ATOM 0 HG2 GLN A 664 117.393 -1.585 -10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 664 118.239 -1.919 -9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 664 117.703 -3.978 -11.047 1.00 0.00 H new ATOM 0 HE22 GLN A 664 116.459 -5.033 -10.366 1.00 0.00 H new ATOM 409 N ASP A 665 116.132 2.253 -7.651 1.00 0.00 N ATOM 410 CA ASP A 665 115.295 3.439 -7.499 1.00 0.00 C ATOM 411 C ASP A 665 116.146 4.690 -7.303 1.00 0.00 C ATOM 412 O ASP A 665 116.140 5.593 -8.140 1.00 0.00 O ATOM 413 CB ASP A 665 114.340 3.264 -6.316 1.00 0.00 C ATOM 414 CG ASP A 665 112.935 2.903 -6.755 1.00 0.00 C ATOM 415 OD1 ASP A 665 112.424 3.546 -7.697 1.00 0.00 O1- ATOM 416 OD2 ASP A 665 112.345 1.978 -6.159 1.00 0.00 O ATOM 0 H ASP A 665 116.381 1.796 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 665 114.714 3.562 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 665 114.723 2.485 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 665 114.311 4.187 -5.737 1.00 0.00 H new ATOM 421 N VAL A 666 116.872 4.739 -6.192 1.00 0.00 N ATOM 422 CA VAL A 666 117.724 5.883 -5.886 1.00 0.00 C ATOM 423 C VAL A 666 118.925 5.945 -6.825 1.00 0.00 C ATOM 424 O VAL A 666 119.024 6.841 -7.662 1.00 0.00 O ATOM 425 CB VAL A 666 118.224 5.840 -4.430 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.957 7.125 -4.076 1.00 0.00 C ATOM 427 CG2 VAL A 666 117.064 5.598 -3.476 1.00 0.00 C ATOM 0 H VAL A 666 116.888 4.001 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 666 117.114 6.775 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 666 118.926 5.012 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 666 119.302 7.074 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 666 119.813 7.250 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 666 118.282 7.973 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 666 117.435 5.570 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 666 116.336 6.403 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 666 116.588 4.647 -3.715 1.00 0.00 H new ATOM 437 N GLY A 667 119.836 4.988 -6.678 1.00 0.00 N ATOM 438 CA GLY A 667 121.017 4.957 -7.521 1.00 0.00 C ATOM 439 C GLY A 667 122.130 4.115 -6.929 1.00 0.00 C ATOM 440 O GLY A 667 122.074 2.886 -6.966 1.00 0.00 O ATOM 0 H GLY A 667 119.778 4.235 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 667 120.750 4.563 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 667 121.377 5.974 -7.674 1.00 0.00 H new ATOM 444 N LEU A 668 123.145 4.778 -6.383 1.00 0.00 N ATOM 445 CA LEU A 668 124.276 4.082 -5.782 1.00 0.00 C ATOM 446 C LEU A 668 124.685 4.740 -4.467 1.00 0.00 C ATOM 447 O LEU A 668 124.527 4.153 -3.396 1.00 0.00 O ATOM 448 CB LEU A 668 125.463 4.062 -6.751 1.00 0.00 C ATOM 449 CG LEU A 668 125.766 2.699 -7.374 1.00 0.00 C ATOM 450 CD1 LEU A 668 126.641 2.858 -8.607 1.00 0.00 C ATOM 451 CD2 LEU A 668 126.436 1.786 -6.358 1.00 0.00 C ATOM 0 H LEU A 668 123.207 5.795 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 668 123.971 3.057 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 668 125.271 4.776 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 668 126.351 4.408 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 668 124.824 2.243 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 668 126.846 1.877 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 668 126.125 3.476 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 668 127.580 3.335 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 668 126.644 0.820 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 668 127.370 2.238 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 668 125.774 1.645 -5.503 1.00 0.00 H new ATOM 463 N TYR A 669 125.209 5.956 -4.557 1.00 0.00 N ATOM 464 CA TYR A 669 125.641 6.693 -3.373 1.00 0.00 C ATOM 465 C TYR A 669 124.443 7.139 -2.537 1.00 0.00 C ATOM 466 O TYR A 669 123.663 7.991 -2.967 1.00 0.00 O ATOM 467 CB TYR A 669 126.472 7.911 -3.783 1.00 0.00 C ATOM 468 CG TYR A 669 127.679 7.567 -4.624 1.00 0.00 C ATOM 469 CD1 TYR A 669 127.565 7.389 -5.997 1.00 0.00 C ATOM 470 CD2 TYR A 669 128.933 7.417 -4.046 1.00 0.00 C ATOM 471 CE1 TYR A 669 128.666 7.074 -6.771 1.00 0.00 C ATOM 472 CE2 TYR A 669 130.040 7.102 -4.812 1.00 0.00 C ATOM 473 CZ TYR A 669 129.902 6.932 -6.173 1.00 0.00 C ATOM 474 OH TYR A 669 131.000 6.618 -6.939 1.00 0.00 O ATOM 0 H TYR A 669 125.346 6.454 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 669 126.254 6.027 -2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 669 125.838 8.602 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 669 126.803 8.433 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 669 126.599 7.499 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 669 129.045 7.549 -2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 669 128.560 6.940 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 669 131.008 6.990 -4.346 1.00 0.00 H new ATOM 0 HH TYR A 669 131.792 6.556 -6.365 1.00 0.00 H new ATOM 484 N PRO A 670 124.275 6.571 -1.328 1.00 0.00 N ATOM 485 CA PRO A 670 123.165 6.920 -0.441 1.00 0.00 C ATOM 486 C PRO A 670 123.425 8.205 0.338 1.00 0.00 C ATOM 487 O PRO A 670 124.374 8.935 0.053 1.00 0.00 O ATOM 488 CB PRO A 670 123.100 5.725 0.505 1.00 0.00 C ATOM 489 CG PRO A 670 124.511 5.256 0.606 1.00 0.00 C ATOM 490 CD PRO A 670 125.153 5.546 -0.729 1.00 0.00 C ATOM 0 HA PRO A 670 122.241 7.107 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 670 122.705 6.011 1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 670 122.448 4.944 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 670 125.035 5.773 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 670 124.551 4.191 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 670 126.173 5.912 -0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 670 125.205 4.652 -1.350 1.00 0.00 H new ATOM 498 N ASP A 671 122.576 8.475 1.325 1.00 0.00 N ATOM 499 CA ASP A 671 122.714 9.670 2.148 1.00 0.00 C ATOM 500 C ASP A 671 122.761 9.307 3.628 1.00 0.00 C ATOM 501 O ASP A 671 122.340 8.219 4.024 1.00 0.00 O ATOM 502 CB ASP A 671 121.558 10.636 1.883 1.00 0.00 C ATOM 503 CG ASP A 671 121.747 11.972 2.574 1.00 0.00 C ATOM 504 OD1 ASP A 671 122.912 12.355 2.815 1.00 0.00 O ATOM 505 OD2 ASP A 671 120.733 12.635 2.876 1.00 0.00 O1- ATOM 0 H ASP A 671 121.785 7.881 1.574 1.00 0.00 H new ATOM 0 HA ASP A 671 123.652 10.158 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 671 121.462 10.797 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 671 120.626 10.184 2.222 1.00 0.00 H new ATOM 510 N GLU A 672 123.274 10.223 4.444 1.00 0.00 N ATOM 511 CA GLU A 672 123.376 9.999 5.883 1.00 0.00 C ATOM 512 C GLU A 672 122.029 9.587 6.473 1.00 0.00 C ATOM 513 O GLU A 672 121.971 8.879 7.478 1.00 0.00 O ATOM 514 CB GLU A 672 123.885 11.260 6.581 1.00 0.00 C ATOM 515 CG GLU A 672 125.402 11.354 6.637 1.00 0.00 C ATOM 516 CD GLU A 672 126.012 10.367 7.613 1.00 0.00 C ATOM 517 OE1 GLU A 672 125.609 10.373 8.795 1.00 0.00 O ATOM 518 OE2 GLU A 672 126.892 9.585 7.194 1.00 0.00 O1- ATOM 0 H GLU A 672 123.626 11.128 4.133 1.00 0.00 H new ATOM 0 HA GLU A 672 124.085 9.187 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 672 123.494 12.135 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 672 123.490 11.288 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 672 125.810 11.175 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 672 125.689 12.366 6.922 1.00 0.00 H new ATOM 525 N GLU A 673 120.948 10.032 5.841 1.00 0.00 N ATOM 526 CA GLU A 673 119.604 9.710 6.303 1.00 0.00 C ATOM 527 C GLU A 673 119.180 8.323 5.824 1.00 0.00 C ATOM 528 O GLU A 673 118.384 7.648 6.475 1.00 0.00 O ATOM 529 CB GLU A 673 118.605 10.758 5.811 1.00 0.00 C ATOM 530 CG GLU A 673 118.646 12.054 6.604 1.00 0.00 C ATOM 531 CD GLU A 673 117.704 12.041 7.792 1.00 0.00 C ATOM 532 OE1 GLU A 673 117.903 11.205 8.698 1.00 0.00 O1- ATOM 533 OE2 GLU A 673 116.767 12.866 7.816 1.00 0.00 O ATOM 0 H GLU A 673 120.977 10.617 5.006 1.00 0.00 H new ATOM 0 HA GLU A 673 119.614 9.712 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 673 118.807 10.976 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 673 117.599 10.342 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 673 119.663 12.230 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 673 118.386 12.885 5.948 1.00 0.00 H new ATOM 540 N ALA A 674 119.716 7.908 4.680 1.00 0.00 N ATOM 541 CA ALA A 674 119.390 6.603 4.115 1.00 0.00 C ATOM 542 C ALA A 674 120.156 5.489 4.821 1.00 0.00 C ATOM 543 O ALA A 674 119.604 4.426 5.104 1.00 0.00 O ATOM 544 CB ALA A 674 119.688 6.588 2.623 1.00 0.00 C ATOM 0 H ALA A 674 120.376 8.455 4.127 1.00 0.00 H new ATOM 0 HA ALA A 674 118.325 6.425 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 674 119.441 5.609 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.091 7.352 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 674 120.746 6.792 2.461 1.00 0.00 H new ATOM 550 N ILE A 675 121.431 5.741 5.104 1.00 0.00 N ATOM 551 CA ILE A 675 122.271 4.757 5.777 1.00 0.00 C ATOM 552 C ILE A 675 121.777 4.494 7.197 1.00 0.00 C ATOM 553 O ILE A 675 121.665 3.344 7.622 1.00 0.00 O ATOM 554 CB ILE A 675 123.742 5.215 5.833 1.00 0.00 C ATOM 555 CG1 ILE A 675 124.232 5.600 4.435 1.00 0.00 C ATOM 556 CG2 ILE A 675 124.621 4.121 6.421 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.664 6.091 4.411 1.00 0.00 C ATOM 0 H ILE A 675 121.904 6.616 4.878 1.00 0.00 H new ATOM 0 HA ILE A 675 122.208 3.837 5.196 1.00 0.00 H new ATOM 0 HB ILE A 675 123.807 6.091 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 675 124.141 4.736 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 675 123.583 6.378 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 675 125.655 4.463 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.285 3.888 7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 675 124.553 3.227 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 675 125.944 6.346 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 675 125.757 6.974 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 675 126.324 5.307 4.783 1.00 0.00 H new ATOM 569 N GLN A 676 121.481 5.566 7.925 1.00 0.00 N ATOM 570 CA GLN A 676 120.999 5.451 9.296 1.00 0.00 C ATOM 571 C GLN A 676 119.699 4.655 9.350 1.00 0.00 C ATOM 572 O GLN A 676 119.517 3.801 10.218 1.00 0.00 O ATOM 573 CB GLN A 676 120.789 6.838 9.905 1.00 0.00 C ATOM 574 CG GLN A 676 122.081 7.519 10.327 1.00 0.00 C ATOM 575 CD GLN A 676 122.004 8.098 11.727 1.00 0.00 C ATOM 576 OE1 GLN A 676 121.306 7.570 12.593 1.00 0.00 O ATOM 577 NE2 GLN A 676 122.722 9.192 11.954 1.00 0.00 N ATOM 0 H GLN A 676 121.567 6.525 7.588 1.00 0.00 H new ATOM 0 HA GLN A 676 121.753 4.920 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.275 7.470 9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 676 120.135 6.750 10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 676 122.899 6.800 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 676 122.315 8.315 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 676 123.286 9.596 11.207 1.00 0.00 H new ATOM 0 HE22 GLN A 676 122.709 9.628 12.876 1.00 0.00 H new ATOM 586 N THR A 677 118.796 4.942 8.417 1.00 0.00 N ATOM 587 CA THR A 677 117.514 4.255 8.357 1.00 0.00 C ATOM 588 C THR A 677 117.679 2.818 7.873 1.00 0.00 C ATOM 589 O THR A 677 117.069 1.895 8.412 1.00 0.00 O ATOM 590 CB THR A 677 116.527 4.987 7.429 1.00 0.00 C ATOM 591 OG1 THR A 677 116.574 6.397 7.675 1.00 0.00 O ATOM 592 CG2 THR A 677 115.108 4.478 7.636 1.00 0.00 C ATOM 0 H THR A 677 118.931 5.647 7.692 1.00 0.00 H new ATOM 0 HA THR A 677 117.113 4.249 9.370 1.00 0.00 H new ATOM 0 HB THR A 677 116.820 4.789 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.031 6.844 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 677 114.430 5.010 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.069 3.411 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 677 114.808 4.648 8.670 1.00 0.00 H new ATOM 600 N LEU A 678 118.510 2.637 6.850 1.00 0.00 N ATOM 601 CA LEU A 678 118.757 1.312 6.293 1.00 0.00 C ATOM 602 C LEU A 678 119.488 0.425 7.296 1.00 0.00 C ATOM 603 O LEU A 678 119.309 -0.792 7.309 1.00 0.00 O ATOM 604 CB LEU A 678 119.574 1.423 5.004 1.00 0.00 C ATOM 605 CG LEU A 678 118.755 1.663 3.735 1.00 0.00 C ATOM 606 CD1 LEU A 678 119.565 2.453 2.719 1.00 0.00 C ATOM 607 CD2 LEU A 678 118.297 0.340 3.141 1.00 0.00 C ATOM 0 H LEU A 678 119.022 3.390 6.391 1.00 0.00 H new ATOM 0 HA LEU A 678 117.793 0.855 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.290 2.237 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.151 0.507 4.878 1.00 0.00 H new ATOM 0 HG LEU A 678 117.873 2.247 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 678 118.966 2.614 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 678 119.845 3.416 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 678 120.465 1.896 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 678 117.715 0.528 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 678 119.167 -0.268 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 678 117.680 -0.190 3.866 1.00 0.00 H new ATOM 619 N SER A 679 120.313 1.045 8.134 1.00 0.00 N ATOM 620 CA SER A 679 121.072 0.311 9.140 1.00 0.00 C ATOM 621 C SER A 679 120.140 -0.376 10.134 1.00 0.00 C ATOM 622 O SER A 679 120.268 -1.571 10.394 1.00 0.00 O ATOM 623 CB SER A 679 122.022 1.255 9.881 1.00 0.00 C ATOM 624 OG SER A 679 123.144 1.583 9.081 1.00 0.00 O ATOM 0 H SER A 679 120.473 2.052 8.136 1.00 0.00 H new ATOM 0 HA SER A 679 121.656 -0.455 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 679 121.491 2.166 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 679 122.356 0.786 10.807 1.00 0.00 H new ATOM 0 HG SER A 679 122.885 2.250 8.412 1.00 0.00 H new ATOM 630 N ALA A 680 119.205 0.389 10.687 1.00 0.00 N ATOM 631 CA ALA A 680 118.253 -0.145 11.652 1.00 0.00 C ATOM 632 C ALA A 680 117.347 -1.191 11.009 1.00 0.00 C ATOM 633 O ALA A 680 117.099 -2.250 11.585 1.00 0.00 O ATOM 634 CB ALA A 680 117.421 0.978 12.251 1.00 0.00 C ATOM 0 H ALA A 680 119.087 1.381 10.483 1.00 0.00 H new ATOM 0 HA ALA A 680 118.816 -0.630 12.449 1.00 0.00 H new ATOM 0 HB1 ALA A 680 116.714 0.564 12.970 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.077 1.688 12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 680 116.874 1.489 11.458 1.00 0.00 H new ATOM 640 N GLN A 681 116.856 -0.887 9.812 1.00 0.00 N ATOM 641 CA GLN A 681 115.978 -1.799 9.090 1.00 0.00 C ATOM 642 C GLN A 681 116.676 -3.129 8.823 1.00 0.00 C ATOM 643 O GLN A 681 116.230 -4.180 9.286 1.00 0.00 O ATOM 644 CB GLN A 681 115.530 -1.171 7.770 1.00 0.00 C ATOM 645 CG GLN A 681 114.405 -1.932 7.085 1.00 0.00 C ATOM 646 CD GLN A 681 113.215 -1.050 6.762 1.00 0.00 C ATOM 647 OE1 GLN A 681 113.023 0.003 7.372 1.00 0.00 O ATOM 648 NE2 GLN A 681 112.407 -1.475 5.798 1.00 0.00 N ATOM 0 H GLN A 681 117.052 -0.015 9.321 1.00 0.00 H new ATOM 0 HA GLN A 681 115.102 -1.987 9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.204 -0.148 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 681 116.384 -1.116 7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 681 114.782 -2.379 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 681 114.082 -2.751 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 681 112.603 -2.354 5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 681 111.590 -0.923 5.537 1.00 0.00 H new ATOM 657 N LEU A 682 117.774 -3.078 8.075 1.00 0.00 N ATOM 658 CA LEU A 682 118.533 -4.280 7.748 1.00 0.00 C ATOM 659 C LEU A 682 119.268 -4.819 8.974 1.00 0.00 C ATOM 660 O LEU A 682 119.710 -5.969 8.984 1.00 0.00 O ATOM 661 CB LEU A 682 119.536 -3.985 6.630 1.00 0.00 C ATOM 662 CG LEU A 682 118.913 -3.608 5.284 1.00 0.00 C ATOM 663 CD1 LEU A 682 119.997 -3.284 4.268 1.00 0.00 C ATOM 664 CD2 LEU A 682 118.021 -4.730 4.777 1.00 0.00 C ATOM 0 H LEU A 682 118.158 -2.218 7.684 1.00 0.00 H new ATOM 0 HA LEU A 682 117.828 -5.039 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 682 120.187 -3.172 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 682 120.167 -4.862 6.488 1.00 0.00 H new ATOM 0 HG LEU A 682 118.298 -2.719 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 682 119.536 -3.018 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 682 120.595 -2.447 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 682 120.638 -4.155 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 682 117.586 -4.445 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 682 118.613 -5.637 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 682 117.223 -4.914 5.497 1.00 0.00 H new ATOM 676 N ASP A 683 119.396 -3.987 10.005 1.00 0.00 N ATOM 677 CA ASP A 683 120.080 -4.387 11.231 1.00 0.00 C ATOM 678 C ASP A 683 121.565 -4.618 10.973 1.00 0.00 C ATOM 679 O ASP A 683 122.193 -5.462 11.611 1.00 0.00 O ATOM 680 CB ASP A 683 119.447 -5.656 11.807 1.00 0.00 C ATOM 681 CG ASP A 683 117.936 -5.564 11.885 1.00 0.00 C ATOM 682 OD1 ASP A 683 117.430 -4.826 12.756 1.00 0.00 O ATOM 683 OD2 ASP A 683 117.259 -6.231 11.075 1.00 0.00 O1- ATOM 0 H ASP A 683 119.035 -3.033 10.015 1.00 0.00 H new ATOM 0 HA ASP A 683 119.975 -3.579 11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 683 119.725 -6.510 11.189 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.849 -5.839 12.803 1.00 0.00 H new ATOM 688 N LEU A 684 122.120 -3.860 10.034 1.00 0.00 N ATOM 689 CA LEU A 684 123.532 -3.977 9.688 1.00 0.00 C ATOM 690 C LEU A 684 124.275 -2.677 9.994 1.00 0.00 C ATOM 691 O LEU A 684 123.729 -1.588 9.821 1.00 0.00 O ATOM 692 CB LEU A 684 123.686 -4.332 8.208 1.00 0.00 C ATOM 693 CG LEU A 684 123.118 -5.695 7.807 1.00 0.00 C ATOM 694 CD1 LEU A 684 122.938 -5.776 6.299 1.00 0.00 C ATOM 695 CD2 LEU A 684 124.022 -6.815 8.300 1.00 0.00 C ATOM 0 H LEU A 684 121.612 -3.156 9.498 1.00 0.00 H new ATOM 0 HA LEU A 684 123.967 -4.773 10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 684 123.196 -3.562 7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 684 124.745 -4.307 7.952 1.00 0.00 H new ATOM 0 HG LEU A 684 122.140 -5.812 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 684 122.533 -6.752 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 684 122.250 -4.997 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 684 123.902 -5.637 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 684 123.603 -7.777 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 684 125.013 -6.702 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 684 124.098 -6.769 9.386 1.00 0.00 H new ATOM 707 N PRO A 685 125.534 -2.774 10.456 1.00 0.00 N ATOM 708 CA PRO A 685 126.344 -1.596 10.787 1.00 0.00 C ATOM 709 C PRO A 685 126.368 -0.574 9.655 1.00 0.00 C ATOM 710 O PRO A 685 125.867 -0.832 8.561 1.00 0.00 O ATOM 711 CB PRO A 685 127.742 -2.178 11.011 1.00 0.00 C ATOM 712 CG PRO A 685 127.499 -3.587 11.432 1.00 0.00 C ATOM 713 CD PRO A 685 126.266 -4.033 10.695 1.00 0.00 C ATOM 0 HA PRO A 685 125.949 -1.058 11.649 1.00 0.00 H new ATOM 0 HB2 PRO A 685 128.340 -2.134 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 685 128.284 -1.623 11.777 1.00 0.00 H new ATOM 0 HG2 PRO A 685 128.351 -4.220 11.186 1.00 0.00 H new ATOM 0 HG3 PRO A 685 127.354 -3.653 12.510 1.00 0.00 H new ATOM 0 HD2 PRO A 685 126.516 -4.535 9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.677 -4.734 11.286 1.00 0.00 H new ATOM 721 N LYS A 686 126.951 0.590 9.927 1.00 0.00 N ATOM 722 CA LYS A 686 127.037 1.653 8.932 1.00 0.00 C ATOM 723 C LYS A 686 128.154 1.375 7.933 1.00 0.00 C ATOM 724 O LYS A 686 127.970 1.523 6.724 1.00 0.00 O ATOM 725 CB LYS A 686 127.273 3.001 9.617 1.00 0.00 C ATOM 726 CG LYS A 686 126.096 3.471 10.456 1.00 0.00 C ATOM 727 CD LYS A 686 126.258 4.921 10.881 1.00 0.00 C ATOM 728 CE LYS A 686 125.766 5.144 12.301 1.00 0.00 C ATOM 729 NZ LYS A 686 126.792 4.765 13.312 1.00 0.00 N1+ ATOM 0 H LYS A 686 127.370 0.820 10.828 1.00 0.00 H new ATOM 0 HA LYS A 686 126.092 1.688 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 686 128.155 2.927 10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 686 127.490 3.752 8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 686 125.174 3.359 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 686 126.003 2.840 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 686 127.307 5.207 10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 686 125.705 5.565 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 686 125.498 6.192 12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 686 124.860 4.561 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 126.416 4.932 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 127.030 3.758 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 127.647 5.339 13.171 1.00 0.00 H new ATOM 743 N TYR A 687 129.313 0.975 8.445 1.00 0.00 N ATOM 744 CA TYR A 687 130.464 0.678 7.597 1.00 0.00 C ATOM 745 C TYR A 687 130.135 -0.425 6.595 1.00 0.00 C ATOM 746 O TYR A 687 130.678 -0.456 5.491 1.00 0.00 O ATOM 747 CB TYR A 687 131.660 0.264 8.453 1.00 0.00 C ATOM 748 CG TYR A 687 131.334 -0.797 9.480 1.00 0.00 C ATOM 749 CD1 TYR A 687 131.225 -2.132 9.116 1.00 0.00 C ATOM 750 CD2 TYR A 687 131.136 -0.462 10.813 1.00 0.00 C ATOM 751 CE1 TYR A 687 130.926 -3.105 10.051 1.00 0.00 C ATOM 752 CE2 TYR A 687 130.838 -1.429 11.755 1.00 0.00 C ATOM 753 CZ TYR A 687 130.735 -2.747 11.370 1.00 0.00 C ATOM 754 OH TYR A 687 130.437 -3.714 12.304 1.00 0.00 O ATOM 0 H TYR A 687 129.481 0.849 9.443 1.00 0.00 H new ATOM 0 HA TYR A 687 130.717 1.582 7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 687 132.452 -0.105 7.801 1.00 0.00 H new ATOM 0 HB3 TYR A 687 132.052 1.144 8.964 1.00 0.00 H new ATOM 0 HD1 TYR A 687 131.376 -2.415 8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 687 131.216 0.571 11.119 1.00 0.00 H new ATOM 0 HE1 TYR A 687 130.842 -4.139 9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 687 130.687 -1.152 12.788 1.00 0.00 H new ATOM 0 HH TYR A 687 130.334 -3.297 13.185 1.00 0.00 H new ATOM 764 N THR A 688 129.242 -1.329 6.987 1.00 0.00 N ATOM 765 CA THR A 688 128.842 -2.434 6.123 1.00 0.00 C ATOM 766 C THR A 688 128.184 -1.923 4.846 1.00 0.00 C ATOM 767 O THR A 688 128.434 -2.439 3.757 1.00 0.00 O ATOM 768 CB THR A 688 127.870 -3.386 6.843 1.00 0.00 C ATOM 769 OG1 THR A 688 128.139 -3.392 8.251 1.00 0.00 O ATOM 770 CG2 THR A 688 127.993 -4.800 6.294 1.00 0.00 C ATOM 0 H THR A 688 128.782 -1.318 7.897 1.00 0.00 H new ATOM 0 HA THR A 688 129.750 -2.980 5.867 1.00 0.00 H new ATOM 0 HB THR A 688 126.854 -3.031 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 688 129.108 -3.378 8.399 1.00 0.00 H new ATOM 0 HG21 THR A 688 127.297 -5.455 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 688 127.759 -4.799 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 688 129.011 -5.160 6.441 1.00 0.00 H new ATOM 778 N ILE A 689 127.339 -0.905 4.987 1.00 0.00 N ATOM 779 CA ILE A 689 126.644 -0.325 3.845 1.00 0.00 C ATOM 780 C ILE A 689 127.606 0.457 2.956 1.00 0.00 C ATOM 781 O ILE A 689 127.491 0.436 1.730 1.00 0.00 O ATOM 782 CB ILE A 689 125.503 0.606 4.294 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.601 -0.104 5.305 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.695 1.075 3.091 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.545 0.795 5.910 1.00 0.00 C ATOM 0 H ILE A 689 127.120 -0.466 5.881 1.00 0.00 H new ATOM 0 HA ILE A 689 126.222 -1.154 3.277 1.00 0.00 H new ATOM 0 HB ILE A 689 125.939 1.481 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 689 124.112 -0.946 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 689 125.218 -0.515 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.892 1.732 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 689 125.346 1.617 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 689 124.268 0.212 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 689 122.943 0.224 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 689 124.027 1.624 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 689 122.904 1.186 5.120 1.00 0.00 H new ATOM 797 N ILE A 690 128.555 1.146 3.583 1.00 0.00 N ATOM 798 CA ILE A 690 129.536 1.934 2.848 1.00 0.00 C ATOM 799 C ILE A 690 130.517 1.033 2.103 1.00 0.00 C ATOM 800 O ILE A 690 131.029 1.397 1.044 1.00 0.00 O ATOM 801 CB ILE A 690 130.325 2.868 3.787 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.367 3.682 4.658 1.00 0.00 C ATOM 803 CG2 ILE A 690 131.229 3.789 2.982 1.00 0.00 C ATOM 804 CD1 ILE A 690 129.973 4.127 5.971 1.00 0.00 C ATOM 0 H ILE A 690 128.664 1.174 4.597 1.00 0.00 H new ATOM 0 HA ILE A 690 128.982 2.538 2.129 1.00 0.00 H new ATOM 0 HB ILE A 690 130.949 2.258 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 690 129.041 4.561 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 690 128.478 3.085 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 690 131.779 4.442 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.933 3.192 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.624 4.394 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 690 129.237 4.699 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 690 130.274 3.252 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 690 130.845 4.751 5.776 1.00 0.00 H new ATOM 816 N LYS A 691 130.774 -0.142 2.664 1.00 0.00 N ATOM 817 CA LYS A 691 131.694 -1.096 2.054 1.00 0.00 C ATOM 818 C LYS A 691 131.005 -1.892 0.949 1.00 0.00 C ATOM 819 O LYS A 691 131.646 -2.323 -0.009 1.00 0.00 O ATOM 820 CB LYS A 691 132.248 -2.051 3.115 1.00 0.00 C ATOM 821 CG LYS A 691 133.092 -1.359 4.174 1.00 0.00 C ATOM 822 CD LYS A 691 133.011 -2.080 5.510 1.00 0.00 C ATOM 823 CE LYS A 691 134.280 -2.869 5.796 1.00 0.00 C ATOM 824 NZ LYS A 691 134.140 -3.730 7.002 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.359 -0.458 3.540 1.00 0.00 H new ATOM 0 HA LYS A 691 132.517 -0.535 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.417 -2.562 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 691 132.850 -2.816 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 691 134.130 -1.318 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 691 132.755 -0.329 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 691 132.845 -1.355 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 691 132.155 -2.754 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 691 134.523 -3.490 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 691 135.112 -2.179 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 135.026 -4.250 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 133.933 -3.136 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 133.363 -4.406 6.858 1.00 0.00 H new ATOM 838 N PHE A 692 129.698 -2.082 1.089 1.00 0.00 N ATOM 839 CA PHE A 692 128.924 -2.827 0.103 1.00 0.00 C ATOM 840 C PHE A 692 128.606 -1.961 -1.113 1.00 0.00 C ATOM 841 O PHE A 692 128.781 -2.388 -2.253 1.00 0.00 O ATOM 842 CB PHE A 692 127.626 -3.343 0.729 1.00 0.00 C ATOM 843 CG PHE A 692 126.784 -4.155 -0.215 1.00 0.00 C ATOM 844 CD1 PHE A 692 127.118 -5.467 -0.507 1.00 0.00 C ATOM 845 CD2 PHE A 692 125.659 -3.605 -0.808 1.00 0.00 C ATOM 846 CE1 PHE A 692 126.346 -6.216 -1.374 1.00 0.00 C ATOM 847 CE2 PHE A 692 124.884 -4.350 -1.676 1.00 0.00 C ATOM 848 CZ PHE A 692 125.227 -5.657 -1.961 1.00 0.00 C ATOM 0 H PHE A 692 129.152 -1.730 1.876 1.00 0.00 H new ATOM 0 HA PHE A 692 129.525 -3.674 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.869 -3.951 1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 692 127.042 -2.495 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 692 127.992 -5.910 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 692 125.385 -2.583 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 692 126.617 -7.238 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 692 124.009 -3.910 -2.132 1.00 0.00 H new ATOM 0 HZ PHE A 692 124.623 -6.240 -2.640 1.00 0.00 H new ATOM 858 N PHE A 693 128.136 -0.744 -0.859 1.00 0.00 N ATOM 859 CA PHE A 693 127.792 0.181 -1.934 1.00 0.00 C ATOM 860 C PHE A 693 129.031 0.596 -2.718 1.00 0.00 C ATOM 861 O PHE A 693 128.955 0.876 -3.915 1.00 0.00 O ATOM 862 CB PHE A 693 127.095 1.418 -1.364 1.00 0.00 C ATOM 863 CG PHE A 693 125.597 1.303 -1.336 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.848 1.555 -2.475 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.937 0.946 -0.171 1.00 0.00 C ATOM 866 CE1 PHE A 693 123.470 1.451 -2.453 1.00 0.00 C ATOM 867 CE2 PHE A 693 123.560 0.840 -0.143 1.00 0.00 C ATOM 868 CZ PHE A 693 122.825 1.093 -1.286 1.00 0.00 C ATOM 0 H PHE A 693 127.985 -0.375 0.080 1.00 0.00 H new ATOM 0 HA PHE A 693 127.112 -0.331 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.457 1.595 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 693 127.374 2.288 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 693 125.347 1.836 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 693 125.506 0.748 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 693 122.898 1.650 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 693 123.058 0.560 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.748 1.011 -1.266 1.00 0.00 H new ATOM 878 N GLN A 694 130.174 0.638 -2.039 1.00 0.00 N ATOM 879 CA GLN A 694 131.428 1.023 -2.675 1.00 0.00 C ATOM 880 C GLN A 694 132.021 -0.141 -3.464 1.00 0.00 C ATOM 881 O GLN A 694 132.423 0.018 -4.616 1.00 0.00 O ATOM 882 CB GLN A 694 132.431 1.502 -1.625 1.00 0.00 C ATOM 883 CG GLN A 694 132.271 2.967 -1.255 1.00 0.00 C ATOM 884 CD GLN A 694 133.599 3.678 -1.097 1.00 0.00 C ATOM 885 OE1 GLN A 694 134.412 3.319 -0.245 1.00 0.00 O ATOM 886 NE2 GLN A 694 133.828 4.696 -1.921 1.00 0.00 N ATOM 0 H GLN A 694 130.257 0.410 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 694 131.217 1.838 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 694 132.321 0.895 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 694 133.442 1.339 -1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 694 131.684 3.470 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 694 131.710 3.043 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 694 133.126 4.960 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 694 134.705 5.213 -1.861 1.00 0.00 H new ATOM 895 N ASN A 695 132.071 -1.311 -2.836 1.00 0.00 N ATOM 896 CA ASN A 695 132.617 -2.503 -3.478 1.00 0.00 C ATOM 897 C ASN A 695 131.877 -2.815 -4.776 1.00 0.00 C ATOM 898 O ASN A 695 132.449 -3.382 -5.706 1.00 0.00 O ATOM 899 CB ASN A 695 132.535 -3.700 -2.531 1.00 0.00 C ATOM 900 CG ASN A 695 133.783 -3.853 -1.682 1.00 0.00 C ATOM 901 OD1 ASN A 695 134.602 -4.845 -2.010 1.00 0.00 O flip ATOM 902 ND2 ASN A 695 134.008 -3.089 -0.744 1.00 0.00 N flip ATOM 0 H ASN A 695 131.740 -1.460 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 695 133.662 -2.307 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 695 131.668 -3.586 -1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 695 132.380 -4.609 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 695 133.351 -2.340 -0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 695 134.852 -3.205 -0.183 1.00 0.00 H new ATOM 909 N GLN A 696 130.603 -2.442 -4.831 1.00 0.00 N ATOM 910 CA GLN A 696 129.786 -2.684 -6.014 1.00 0.00 C ATOM 911 C GLN A 696 130.389 -2.010 -7.244 1.00 0.00 C ATOM 912 O GLN A 696 130.590 -2.647 -8.277 1.00 0.00 O ATOM 913 CB GLN A 696 128.361 -2.176 -5.789 1.00 0.00 C ATOM 914 CG GLN A 696 127.565 -3.017 -4.803 1.00 0.00 C ATOM 915 CD GLN A 696 126.665 -4.025 -5.492 1.00 0.00 C ATOM 916 OE1 GLN A 696 126.001 -3.710 -6.479 1.00 0.00 O ATOM 917 NE2 GLN A 696 126.639 -5.246 -4.971 1.00 0.00 N ATOM 0 H GLN A 696 130.114 -1.971 -4.070 1.00 0.00 H new ATOM 0 HA GLN A 696 129.759 -3.760 -6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 696 128.403 -1.149 -5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 696 127.836 -2.156 -6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 696 128.253 -3.542 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 696 126.959 -2.361 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 696 127.206 -5.463 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 696 126.052 -5.967 -5.390 1.00 0.00 H new ATOM 926 N ARG A 697 130.673 -0.716 -7.125 1.00 0.00 N ATOM 927 CA ARG A 697 131.251 0.045 -8.226 1.00 0.00 C ATOM 928 C ARG A 697 132.668 -0.430 -8.535 1.00 0.00 C ATOM 929 O ARG A 697 132.998 -0.724 -9.684 1.00 0.00 O ATOM 930 CB ARG A 697 131.261 1.537 -7.893 1.00 0.00 C ATOM 931 CG ARG A 697 130.024 2.277 -8.376 1.00 0.00 C ATOM 932 CD ARG A 697 130.369 3.665 -8.889 1.00 0.00 C ATOM 933 NE ARG A 697 129.506 4.069 -9.996 1.00 0.00 N ATOM 934 CZ ARG A 697 129.716 5.152 -10.743 1.00 0.00 C ATOM 935 NH1 ARG A 697 130.757 5.940 -10.504 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 128.882 5.446 -11.733 1.00 0.00 N ATOM 0 H ARG A 697 130.512 -0.173 -6.277 1.00 0.00 H new ATOM 0 HA ARG A 697 130.634 -0.119 -9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 697 131.349 1.659 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 697 132.145 1.994 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 697 129.543 1.704 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 697 129.306 2.358 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 697 130.277 4.385 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 697 131.409 3.683 -9.215 1.00 0.00 H new ATOM 0 HE ARG A 697 128.695 3.488 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 697 131.401 5.718 -9.745 1.00 0.00 H new ATOM 0 HH12 ARG A 697 130.913 6.768 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 697 128.081 4.843 -11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 697 129.042 6.275 -12.305 1.00 0.00 H new ATOM 950 N TYR A 698 133.501 -0.501 -7.501 1.00 0.00 N ATOM 951 CA TYR A 698 134.885 -0.938 -7.664 1.00 0.00 C ATOM 952 C TYR A 698 134.949 -2.341 -8.259 1.00 0.00 C ATOM 953 O TYR A 698 135.849 -2.655 -9.038 1.00 0.00 O ATOM 954 CB TYR A 698 135.611 -0.909 -6.318 1.00 0.00 C ATOM 955 CG TYR A 698 136.058 0.474 -5.900 1.00 0.00 C ATOM 956 CD1 TYR A 698 137.141 1.090 -6.514 1.00 0.00 C ATOM 957 CD2 TYR A 698 135.397 1.164 -4.892 1.00 0.00 C ATOM 958 CE1 TYR A 698 137.552 2.354 -6.136 1.00 0.00 C ATOM 959 CE2 TYR A 698 135.801 2.427 -4.507 1.00 0.00 C ATOM 960 CZ TYR A 698 136.879 3.017 -5.132 1.00 0.00 C ATOM 961 OH TYR A 698 137.287 4.277 -4.752 1.00 0.00 O ATOM 0 H TYR A 698 133.243 -0.262 -6.543 1.00 0.00 H new ATOM 0 HA TYR A 698 135.378 -0.250 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 698 134.952 -1.316 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 698 136.482 -1.563 -6.370 1.00 0.00 H new ATOM 0 HD1 TYR A 698 137.671 0.572 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 698 134.552 0.705 -4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 698 138.395 2.820 -6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 698 135.276 2.949 -3.721 1.00 0.00 H new ATOM 0 HH TYR A 698 136.707 4.606 -4.033 1.00 0.00 H new ATOM 971 N TYR A 699 133.988 -3.181 -7.889 1.00 0.00 N ATOM 972 CA TYR A 699 133.936 -4.550 -8.386 1.00 0.00 C ATOM 973 C TYR A 699 133.632 -4.579 -9.883 1.00 0.00 C ATOM 974 O TYR A 699 134.011 -5.518 -10.582 1.00 0.00 O ATOM 975 CB TYR A 699 132.877 -5.351 -7.627 1.00 0.00 C ATOM 976 CG TYR A 699 132.784 -6.798 -8.060 1.00 0.00 C ATOM 977 CD1 TYR A 699 131.989 -7.171 -9.136 1.00 0.00 C ATOM 978 CD2 TYR A 699 133.493 -7.790 -7.394 1.00 0.00 C ATOM 979 CE1 TYR A 699 131.902 -8.491 -9.536 1.00 0.00 C ATOM 980 CE2 TYR A 699 133.412 -9.112 -7.788 1.00 0.00 C ATOM 981 CZ TYR A 699 132.615 -9.457 -8.859 1.00 0.00 C ATOM 982 OH TYR A 699 132.531 -10.772 -9.254 1.00 0.00 O ATOM 0 H TYR A 699 133.234 -2.937 -7.246 1.00 0.00 H new ATOM 0 HA TYR A 699 134.914 -5.003 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 699 133.101 -5.313 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 699 131.906 -4.876 -7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 699 131.429 -6.417 -9.669 1.00 0.00 H new ATOM 0 HD2 TYR A 699 134.118 -7.523 -6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 699 131.279 -8.764 -10.375 1.00 0.00 H new ATOM 0 HE2 TYR A 699 133.970 -9.871 -7.260 1.00 0.00 H new ATOM 0 HH TYR A 699 132.522 -10.820 -10.233 1.00 0.00 H new ATOM 992 N LEU A 700 132.949 -3.547 -10.367 1.00 0.00 N ATOM 993 CA LEU A 700 132.596 -3.459 -11.778 1.00 0.00 C ATOM 994 C LEU A 700 133.610 -2.611 -12.544 1.00 0.00 C ATOM 995 O LEU A 700 133.243 -1.820 -13.414 1.00 0.00 O ATOM 996 CB LEU A 700 131.189 -2.873 -11.935 1.00 0.00 C ATOM 997 CG LEU A 700 130.100 -3.894 -12.282 1.00 0.00 C ATOM 998 CD1 LEU A 700 128.996 -3.881 -11.234 1.00 0.00 C ATOM 999 CD2 LEU A 700 129.525 -3.614 -13.664 1.00 0.00 C ATOM 0 H LEU A 700 132.629 -2.760 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 700 132.610 -4.465 -12.196 1.00 0.00 H new ATOM 0 HB2 LEU A 700 130.914 -2.372 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 700 131.213 -2.111 -12.714 1.00 0.00 H new ATOM 0 HG LEU A 700 130.553 -4.885 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 700 128.233 -4.613 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 700 129.416 -4.132 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 700 128.547 -2.889 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 700 128.753 -4.349 -13.893 1.00 0.00 H new ATOM 0 HD22 LEU A 700 129.091 -2.614 -13.682 1.00 0.00 H new ATOM 0 HD23 LEU A 700 130.319 -3.678 -14.408 1.00 0.00 H new ATOM 1011 N LYS A 701 134.886 -2.781 -12.216 1.00 0.00 N ATOM 1012 CA LYS A 701 135.951 -2.033 -12.874 1.00 0.00 C ATOM 1013 C LYS A 701 137.323 -2.525 -12.425 1.00 0.00 C ATOM 1014 O LYS A 701 138.194 -2.806 -13.249 1.00 0.00 O ATOM 1015 CB LYS A 701 135.809 -0.538 -12.581 1.00 0.00 C ATOM 1016 CG LYS A 701 135.107 0.235 -13.685 1.00 0.00 C ATOM 1017 CD LYS A 701 135.727 1.609 -13.884 1.00 0.00 C ATOM 1018 CE LYS A 701 136.895 1.558 -14.857 1.00 0.00 C ATOM 1019 NZ LYS A 701 137.948 0.606 -14.410 1.00 0.00 N1+ ATOM 0 H LYS A 701 135.208 -3.430 -11.498 1.00 0.00 H new ATOM 0 HA LYS A 701 135.863 -2.195 -13.948 1.00 0.00 H new ATOM 0 HB2 LYS A 701 135.256 -0.410 -11.651 1.00 0.00 H new ATOM 0 HB3 LYS A 701 136.800 -0.111 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 701 135.162 -0.328 -14.617 1.00 0.00 H new ATOM 0 HG3 LYS A 701 134.051 0.343 -13.440 1.00 0.00 H new ATOM 0 HD2 LYS A 701 134.971 2.300 -14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 701 136.068 1.998 -12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 701 136.534 1.264 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 701 137.326 2.554 -14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 138.770 0.675 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 138.239 0.841 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 137.572 -0.363 -14.434 1.00 0.00 H new ATOM 1033 N HIS A 702 137.509 -2.627 -11.113 1.00 0.00 N ATOM 1034 CA HIS A 702 138.777 -3.083 -10.553 1.00 0.00 C ATOM 1035 C HIS A 702 138.880 -4.604 -10.607 1.00 0.00 C ATOM 1036 O HIS A 702 139.771 -5.153 -11.255 1.00 0.00 O ATOM 1037 CB HIS A 702 138.925 -2.600 -9.111 1.00 0.00 C ATOM 1038 CG HIS A 702 139.127 -1.121 -8.993 1.00 0.00 C ATOM 1039 ND1 HIS A 702 140.105 -0.555 -8.203 1.00 0.00 N ATOM 1040 CD2 HIS A 702 138.469 -0.088 -9.572 1.00 0.00 C ATOM 1041 CE1 HIS A 702 140.041 0.762 -8.301 1.00 0.00 C ATOM 1042 NE2 HIS A 702 139.057 1.070 -9.125 1.00 0.00 N ATOM 0 H HIS A 702 136.798 -2.400 -10.417 1.00 0.00 H new ATOM 0 HA HIS A 702 139.583 -2.661 -11.153 1.00 0.00 H new ATOM 0 HB2 HIS A 702 138.035 -2.883 -8.549 1.00 0.00 H new ATOM 0 HB3 HIS A 702 139.770 -3.112 -8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 702 137.637 -0.161 -10.257 1.00 0.00 H new ATOM 0 HE1 HIS A 702 140.684 1.466 -7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 702 138.778 2.015 -9.387 1.00 0.00 H new ATOM 1051 N HIS A 703 137.965 -5.280 -9.921 1.00 0.00 N ATOM 1052 CA HIS A 703 137.956 -6.738 -9.891 1.00 0.00 C ATOM 1053 C HIS A 703 136.551 -7.278 -10.134 1.00 0.00 C ATOM 1054 O HIS A 703 135.623 -6.988 -9.379 1.00 0.00 O ATOM 1055 CB HIS A 703 138.484 -7.244 -8.546 1.00 0.00 C ATOM 1056 CG HIS A 703 137.642 -6.831 -7.379 1.00 0.00 C ATOM 1057 ND1 HIS A 703 137.243 -5.605 -6.966 1.00 0.00 N flip ATOM 1058 CD2 HIS A 703 137.109 -7.730 -6.481 1.00 0.00 C flip ATOM 1059 CE1 HIS A 703 136.482 -5.786 -5.837 1.00 0.00 C flip ATOM 1060 NE2 HIS A 703 136.415 -7.076 -5.565 1.00 0.00 N flip ATOM 0 H HIS A 703 137.220 -4.842 -9.379 1.00 0.00 H new ATOM 0 HA HIS A 703 138.607 -7.097 -10.688 1.00 0.00 H new ATOM 0 HB2 HIS A 703 138.543 -8.332 -8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 703 139.499 -6.874 -8.401 1.00 0.00 H new ATOM 0 HD2 HIS A 703 137.238 -8.802 -6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 703 136.014 -4.999 -5.264 1.00 0.00 H new ATOM 0 HE2 HIS A 703 135.914 -7.496 -4.782 1.00 0.00 H new ATOM 1069 N GLY A 704 136.401 -8.067 -11.193 1.00 0.00 N ATOM 1070 CA GLY A 704 135.105 -8.636 -11.518 1.00 0.00 C ATOM 1071 C GLY A 704 134.971 -10.073 -11.053 1.00 0.00 C ATOM 1072 O GLY A 704 134.225 -10.856 -11.641 1.00 0.00 O ATOM 0 H GLY A 704 137.154 -8.323 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 704 134.321 -8.034 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 704 134.951 -8.590 -12.596 1.00 0.00 H new ATOM 1076 N LYS A 705 135.693 -10.419 -9.992 1.00 0.00 N ATOM 1077 CA LYS A 705 135.650 -11.773 -9.449 1.00 0.00 C ATOM 1078 C LYS A 705 135.553 -11.743 -7.926 1.00 0.00 C ATOM 1079 O LYS A 705 136.397 -11.154 -7.253 1.00 0.00 O ATOM 1080 CB LYS A 705 136.891 -12.558 -9.879 1.00 0.00 C ATOM 1081 CG LYS A 705 137.074 -12.628 -11.386 1.00 0.00 C ATOM 1082 CD LYS A 705 136.297 -13.787 -11.988 1.00 0.00 C ATOM 1083 CE LYS A 705 137.186 -15.003 -12.204 1.00 0.00 C ATOM 1084 NZ LYS A 705 136.660 -15.891 -13.277 1.00 0.00 N1+ ATOM 0 H LYS A 705 136.314 -9.783 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 705 134.763 -12.269 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 705 137.774 -12.098 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 705 136.826 -13.571 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 705 136.743 -11.693 -11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 705 138.133 -12.738 -11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 705 135.470 -14.052 -11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 705 135.862 -13.480 -12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 705 138.192 -14.675 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 705 137.265 -15.565 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 137.294 -16.707 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 135.710 -16.224 -13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 136.609 -15.362 -14.171 1.00 0.00 H new ATOM 1098 N LEU A 706 134.519 -12.384 -7.392 1.00 0.00 N ATOM 1099 CA LEU A 706 134.312 -12.432 -5.949 1.00 0.00 C ATOM 1100 C LEU A 706 134.928 -13.690 -5.351 1.00 0.00 C ATOM 1101 O LEU A 706 135.881 -13.622 -4.577 1.00 0.00 O ATOM 1102 CB LEU A 706 132.817 -12.376 -5.624 1.00 0.00 C ATOM 1103 CG LEU A 706 132.484 -12.068 -4.163 1.00 0.00 C ATOM 1104 CD1 LEU A 706 132.275 -10.574 -3.967 1.00 0.00 C ATOM 1105 CD2 LEU A 706 131.251 -12.843 -3.722 1.00 0.00 C ATOM 0 H LEU A 706 133.811 -12.877 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 706 134.805 -11.565 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 706 132.352 -11.618 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 706 132.367 -13.332 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 706 133.325 -12.381 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 706 132.039 -10.374 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 706 133.185 -10.040 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 706 131.451 -10.236 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 706 131.029 -12.612 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 706 130.402 -12.561 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 706 131.437 -13.912 -3.824 1.00 0.00 H new ATOM 1117 N LYS A 707 134.374 -14.837 -5.722 1.00 0.00 N ATOM 1118 CA LYS A 707 134.863 -16.119 -5.226 1.00 0.00 C ATOM 1119 C LYS A 707 135.165 -17.067 -6.381 1.00 0.00 C ATOM 1120 O LYS A 707 135.704 -18.163 -6.121 1.00 0.00 O ATOM 1121 CB LYS A 707 133.834 -16.752 -4.288 1.00 0.00 C ATOM 1122 CG LYS A 707 134.439 -17.735 -3.298 1.00 0.00 C ATOM 1123 CD LYS A 707 133.447 -18.112 -2.207 1.00 0.00 C ATOM 1124 CE LYS A 707 133.980 -17.772 -0.824 1.00 0.00 C ATOM 1125 NZ LYS A 707 133.055 -18.217 0.254 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 134.862 -16.707 -7.538 1.00 0.00 O ATOM 0 H LYS A 707 133.585 -14.907 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 707 135.786 -15.940 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 707 133.322 -15.963 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 707 133.079 -17.266 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 707 134.759 -18.633 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 707 135.329 -17.296 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 707 132.506 -17.588 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 707 133.232 -19.179 -2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 707 134.953 -18.243 -0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 707 134.133 -16.695 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 133.455 -17.966 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 132.134 -17.748 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 132.928 -19.248 0.199 1.00 0.00 H new TER 1140 LYS A 707