USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 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 6 LYS NZ :NH3+ 144:sc= 2.25 (180deg=0.611) USER MOD Set 1.2: B 686 GLN : amide:sc= 0.913 K(o=3.2,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 174:sc= -0.0617 (180deg=-0.067) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.04 (180deg=0.988) USER MOD Single : A 2 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.42) USER MOD Single : A 7 THR OG1 : rot -73:sc= -0.526 USER MOD Single : A 9 THR OG1 : rot -19:sc= 0.0597 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0.967 (180deg=0.875) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 25 ASN : amide:sc= 1.06 K(o=1.1,f=-0.47) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.03 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.772 (180deg=0.764) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.779) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= 0.884 K(o=0.88,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0813 K(o=0.081,f=-2.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00962 USER MOD Single : A 57 SER OG : rot 180:sc= -0.111 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.0217 USER MOD Single : A 60 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.999 K(o=1,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.15 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 58:sc= 0.87 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.347 K(o=-0.35,f=-2.4!) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.0283 X(o=-0.028,f=-0.12) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.363 -1.790 -3.055 1.00 0.00 N ATOM 2 CA MET A 1 4.692 -1.871 -4.516 1.00 0.00 C ATOM 3 C MET A 1 4.461 -0.536 -5.227 1.00 0.00 C ATOM 4 O MET A 1 3.937 0.382 -4.609 1.00 0.00 O ATOM 5 CB MET A 1 3.941 -3.012 -5.254 1.00 0.00 C ATOM 6 CG MET A 1 2.431 -2.858 -5.526 1.00 0.00 C ATOM 7 SD MET A 1 1.741 -4.358 -6.270 1.00 0.00 S ATOM 8 CE MET A 1 0.188 -3.801 -7.032 1.00 0.00 C ATOM 0 H1 MET A 1 4.418 -2.739 -2.634 1.00 0.00 H new ATOM 0 H2 MET A 1 5.042 -1.161 -2.581 1.00 0.00 H new ATOM 0 H3 MET A 1 3.401 -1.414 -2.936 1.00 0.00 H new ATOM 0 HA MET A 1 5.755 -2.109 -4.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.435 -3.164 -6.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.080 -3.925 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.911 -2.640 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.263 -2.010 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.252 -4.620 -7.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.507 -3.485 -6.253 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.390 -2.963 -7.699 1.00 0.00 H new ATOM 20 N GLN A 2 4.732 -0.438 -6.538 1.00 0.00 N ATOM 21 CA GLN A 2 4.388 0.752 -7.321 1.00 0.00 C ATOM 22 C GLN A 2 3.658 0.367 -8.595 1.00 0.00 C ATOM 23 O GLN A 2 3.816 -0.761 -9.045 1.00 0.00 O ATOM 24 CB GLN A 2 5.668 1.567 -7.571 1.00 0.00 C ATOM 25 CG GLN A 2 6.597 1.046 -8.689 1.00 0.00 C ATOM 26 CD GLN A 2 7.926 1.815 -8.770 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.101 2.885 -8.191 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.903 1.290 -9.498 1.00 0.00 N ATOM 0 H GLN A 2 5.190 -1.173 -7.077 1.00 0.00 H new ATOM 0 HA GLN A 2 3.695 1.386 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.381 2.591 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.237 1.606 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.804 -0.011 -8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.081 1.120 -9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.760 0.402 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.797 1.774 -9.576 1.00 0.00 H new ATOM 37 N ILE A 3 2.907 1.291 -9.189 1.00 0.00 N ATOM 38 CA ILE A 3 2.225 1.093 -10.485 1.00 0.00 C ATOM 39 C ILE A 3 2.291 2.378 -11.286 1.00 0.00 C ATOM 40 O ILE A 3 2.510 3.432 -10.704 1.00 0.00 O ATOM 41 CB ILE A 3 0.764 0.652 -10.275 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.044 1.641 -9.334 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.725 -0.807 -9.776 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.462 1.664 -9.539 1.00 0.00 C ATOM 0 H ILE A 3 2.747 2.214 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 3 2.730 0.301 -11.037 1.00 0.00 H new ATOM 0 HB ILE A 3 0.222 0.674 -11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.261 1.374 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.443 2.643 -9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.311 -1.114 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.195 -1.457 -10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.263 -0.883 -8.831 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.912 2.378 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.685 1.960 -10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.870 0.671 -9.351 1.00 0.00 H new ATOM 56 N PHE A 4 2.064 2.294 -12.590 1.00 0.00 N ATOM 57 CA PHE A 4 2.290 3.364 -13.543 1.00 0.00 C ATOM 58 C PHE A 4 0.959 3.761 -14.152 1.00 0.00 C ATOM 59 O PHE A 4 0.462 3.125 -15.071 1.00 0.00 O ATOM 60 CB PHE A 4 3.283 2.908 -14.614 1.00 0.00 C ATOM 61 CG PHE A 4 4.464 2.098 -14.124 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.275 2.629 -13.115 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.750 0.826 -14.649 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.354 1.891 -12.605 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.883 0.126 -14.194 1.00 0.00 C ATOM 66 CZ PHE A 4 6.689 0.658 -13.178 1.00 0.00 C ATOM 0 H PHE A 4 1.704 1.445 -13.026 1.00 0.00 H new ATOM 0 HA PHE A 4 2.721 4.232 -13.044 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.743 2.316 -15.353 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.662 3.791 -15.129 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.069 3.615 -12.726 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.105 0.389 -15.397 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.925 2.273 -11.772 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.134 -0.829 -14.631 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.562 0.121 -12.839 1.00 0.00 H new ATOM 76 N VAL A 5 0.326 4.802 -13.648 1.00 0.00 N ATOM 77 CA VAL A 5 -0.970 5.228 -14.174 1.00 0.00 C ATOM 78 C VAL A 5 -0.681 6.182 -15.323 1.00 0.00 C ATOM 79 O VAL A 5 -0.293 7.324 -15.103 1.00 0.00 O ATOM 80 CB VAL A 5 -1.857 5.790 -13.055 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.246 6.160 -13.583 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.014 4.746 -11.941 1.00 0.00 C ATOM 0 H VAL A 5 0.680 5.370 -12.879 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.558 4.399 -14.568 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.376 6.688 -12.667 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.852 6.555 -12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.149 6.916 -14.363 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.727 5.273 -13.995 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.645 5.151 -11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.475 3.846 -12.348 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.034 4.499 -11.533 1.00 0.00 H new ATOM 92 N LYS A 6 -0.816 5.721 -16.565 1.00 0.00 N ATOM 93 CA LYS A 6 -0.761 6.606 -17.718 1.00 0.00 C ATOM 94 C LYS A 6 -1.988 7.483 -17.668 1.00 0.00 C ATOM 95 O LYS A 6 -3.100 6.970 -17.587 1.00 0.00 O ATOM 96 CB LYS A 6 -0.715 5.798 -19.020 1.00 0.00 C ATOM 97 CG LYS A 6 -0.150 6.670 -20.154 1.00 0.00 C ATOM 98 CD LYS A 6 -0.407 6.014 -21.517 1.00 0.00 C ATOM 99 CE LYS A 6 0.620 6.485 -22.564 1.00 0.00 C ATOM 100 NZ LYS A 6 0.656 5.588 -23.755 1.00 0.00 N ATOM 0 H LYS A 6 -0.964 4.738 -16.795 1.00 0.00 H new ATOM 0 HA LYS A 6 0.142 7.216 -17.692 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.095 4.912 -18.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.715 5.451 -19.279 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.612 7.657 -20.126 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.921 6.815 -20.010 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.357 4.930 -21.417 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.414 6.257 -21.856 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.375 7.499 -22.881 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.610 6.523 -22.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.821 6.154 -24.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.424 4.895 -23.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.252 5.088 -23.841 1.00 0.00 H new ATOM 114 N THR A 7 -1.825 8.791 -17.713 1.00 0.00 N ATOM 115 CA THR A 7 -2.968 9.640 -17.890 1.00 0.00 C ATOM 116 C THR A 7 -3.329 9.718 -19.341 1.00 0.00 C ATOM 117 O THR A 7 -2.513 9.436 -20.218 1.00 0.00 O ATOM 118 CB THR A 7 -2.744 11.004 -17.294 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.621 11.563 -17.938 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.494 10.955 -15.801 1.00 0.00 C ATOM 0 H THR A 7 -0.930 9.273 -17.631 1.00 0.00 H new ATOM 0 HA THR A 7 -3.809 9.202 -17.353 1.00 0.00 H new ATOM 0 HB THR A 7 -3.642 11.603 -17.441 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.808 11.115 -17.625 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.339 11.966 -15.425 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.355 10.510 -15.302 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.608 10.353 -15.600 1.00 0.00 H new ATOM 128 N LEU A 8 -4.546 10.181 -19.598 1.00 0.00 N ATOM 129 CA LEU A 8 -4.962 10.362 -20.977 1.00 0.00 C ATOM 130 C LEU A 8 -4.077 11.366 -21.716 1.00 0.00 C ATOM 131 O LEU A 8 -4.073 11.291 -22.935 1.00 0.00 O ATOM 132 CB LEU A 8 -6.452 10.686 -21.144 1.00 0.00 C ATOM 133 CG LEU A 8 -7.463 9.570 -20.825 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.812 9.815 -21.497 1.00 0.00 C ATOM 135 CD2 LEU A 8 -6.975 8.176 -21.234 1.00 0.00 C ATOM 0 H LEU A 8 -5.240 10.430 -18.893 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.823 9.388 -21.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.683 11.541 -20.509 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.614 11.002 -22.175 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.572 9.599 -19.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.496 9.004 -21.246 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.226 10.761 -21.147 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.678 9.855 -22.578 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.734 7.436 -20.981 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.791 8.155 -22.308 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.051 7.944 -20.704 1.00 0.00 H new ATOM 147 N THR A 9 -3.299 12.245 -21.066 1.00 0.00 N ATOM 148 CA THR A 9 -2.448 13.198 -21.787 1.00 0.00 C ATOM 149 C THR A 9 -1.203 12.480 -22.333 1.00 0.00 C ATOM 150 O THR A 9 -0.470 13.025 -23.162 1.00 0.00 O ATOM 151 CB THR A 9 -2.088 14.422 -20.915 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.330 15.388 -21.611 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.396 14.128 -19.587 1.00 0.00 C ATOM 0 H THR A 9 -3.243 12.314 -20.050 1.00 0.00 H new ATOM 0 HA THR A 9 -3.008 13.591 -22.635 1.00 0.00 H new ATOM 0 HB THR A 9 -3.076 14.813 -20.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.917 14.975 -22.398 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.195 15.064 -19.066 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.042 13.502 -18.971 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.457 13.608 -19.774 1.00 0.00 H new ATOM 161 N GLY A 10 -0.939 11.253 -21.864 1.00 0.00 N ATOM 162 CA GLY A 10 0.309 10.574 -22.140 1.00 0.00 C ATOM 163 C GLY A 10 1.360 10.896 -21.092 1.00 0.00 C ATOM 164 O GLY A 10 2.534 11.003 -21.446 1.00 0.00 O ATOM 0 H GLY A 10 -1.587 10.716 -21.288 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.140 9.498 -22.169 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.674 10.866 -23.125 1.00 0.00 H new ATOM 168 N LYS A 11 0.965 11.052 -19.813 1.00 0.00 N ATOM 169 CA LYS A 11 1.946 11.204 -18.736 1.00 0.00 C ATOM 170 C LYS A 11 1.767 10.031 -17.815 1.00 0.00 C ATOM 171 O LYS A 11 0.689 9.863 -17.264 1.00 0.00 O ATOM 172 CB LYS A 11 1.760 12.543 -18.010 1.00 0.00 C ATOM 173 CG LYS A 11 2.678 12.676 -16.775 1.00 0.00 C ATOM 174 CD LYS A 11 2.092 12.227 -15.424 1.00 0.00 C ATOM 175 CE LYS A 11 0.779 12.905 -15.015 1.00 0.00 C ATOM 176 NZ LYS A 11 0.916 14.347 -14.666 1.00 0.00 N ATOM 0 H LYS A 11 -0.009 11.075 -19.510 1.00 0.00 H new ATOM 0 HA LYS A 11 2.963 11.217 -19.128 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.966 13.360 -18.702 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.720 12.643 -17.699 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.584 12.099 -16.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.978 13.720 -16.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.929 11.150 -15.459 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.833 12.412 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.064 12.807 -15.832 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.361 12.374 -14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.019 14.696 -14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.671 14.463 -13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.154 14.890 -15.521 1.00 0.00 H new ATOM 190 N THR A 12 2.801 9.252 -17.587 1.00 0.00 N ATOM 191 CA THR A 12 2.693 8.121 -16.692 1.00 0.00 C ATOM 192 C THR A 12 3.119 8.574 -15.304 1.00 0.00 C ATOM 193 O THR A 12 4.266 8.962 -15.089 1.00 0.00 O ATOM 194 CB THR A 12 3.477 6.928 -17.259 1.00 0.00 C ATOM 195 OG1 THR A 12 3.559 6.991 -18.679 1.00 0.00 O ATOM 196 CG2 THR A 12 2.729 5.645 -16.905 1.00 0.00 C ATOM 0 H THR A 12 3.722 9.380 -18.006 1.00 0.00 H new ATOM 0 HA THR A 12 1.668 7.762 -16.603 1.00 0.00 H new ATOM 0 HB THR A 12 4.482 6.949 -16.837 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.065 6.220 -19.012 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.272 4.786 -17.300 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.650 5.557 -15.821 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.730 5.674 -17.340 1.00 0.00 H new ATOM 204 N ILE A 13 2.158 8.564 -14.376 1.00 0.00 N ATOM 205 CA ILE A 13 2.389 8.868 -12.979 1.00 0.00 C ATOM 206 C ILE A 13 2.555 7.543 -12.270 1.00 0.00 C ATOM 207 O ILE A 13 1.612 6.763 -12.173 1.00 0.00 O ATOM 208 CB ILE A 13 1.309 9.808 -12.389 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.125 9.719 -10.851 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.071 9.793 -13.053 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.180 9.113 -10.316 1.00 0.00 C ATOM 0 H ILE A 13 1.186 8.340 -14.587 1.00 0.00 H new ATOM 0 HA ILE A 13 3.299 9.452 -12.839 1.00 0.00 H new ATOM 0 HB ILE A 13 1.766 10.765 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.954 9.136 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.217 10.726 -10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.729 10.496 -12.541 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.026 10.082 -14.099 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.494 8.790 -12.991 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.163 9.118 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.026 9.702 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.278 8.088 -10.673 1.00 0.00 H new ATOM 223 N THR A 14 3.760 7.289 -11.787 1.00 0.00 N ATOM 224 CA THR A 14 4.015 6.155 -10.933 1.00 0.00 C ATOM 225 C THR A 14 3.482 6.505 -9.547 1.00 0.00 C ATOM 226 O THR A 14 3.601 7.653 -9.106 1.00 0.00 O ATOM 227 CB THR A 14 5.516 5.871 -10.898 1.00 0.00 C ATOM 228 OG1 THR A 14 6.031 5.860 -12.222 1.00 0.00 O ATOM 229 CG2 THR A 14 5.837 4.528 -10.213 1.00 0.00 C ATOM 0 H THR A 14 4.581 7.863 -11.978 1.00 0.00 H new ATOM 0 HA THR A 14 3.521 5.256 -11.301 1.00 0.00 H new ATOM 0 HB THR A 14 5.986 6.663 -10.315 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.994 5.679 -12.197 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.915 4.369 -10.212 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.472 4.547 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.351 3.717 -10.756 1.00 0.00 H new ATOM 237 N LEU A 15 2.919 5.528 -8.842 1.00 0.00 N ATOM 238 CA LEU A 15 2.511 5.710 -7.462 1.00 0.00 C ATOM 239 C LEU A 15 2.716 4.434 -6.693 1.00 0.00 C ATOM 240 O LEU A 15 2.722 3.368 -7.298 1.00 0.00 O ATOM 241 CB LEU A 15 1.051 6.166 -7.381 1.00 0.00 C ATOM 242 CG LEU A 15 -0.022 5.170 -7.842 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.270 5.298 -6.974 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.440 5.440 -9.264 1.00 0.00 C ATOM 0 H LEU A 15 2.736 4.596 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 15 3.128 6.490 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.839 6.437 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.947 7.074 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 15 0.411 4.173 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.023 4.586 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.014 5.089 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.666 6.310 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.201 4.719 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.847 6.449 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.425 5.348 -9.921 1.00 0.00 H new ATOM 256 N GLU A 16 2.813 4.544 -5.376 1.00 0.00 N ATOM 257 CA GLU A 16 3.038 3.405 -4.512 1.00 0.00 C ATOM 258 C GLU A 16 1.709 2.988 -3.907 1.00 0.00 C ATOM 259 O GLU A 16 0.927 3.807 -3.424 1.00 0.00 O ATOM 260 CB GLU A 16 4.115 3.705 -3.463 1.00 0.00 C ATOM 261 CG GLU A 16 5.501 3.599 -4.108 1.00 0.00 C ATOM 262 CD GLU A 16 6.620 3.869 -3.087 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.093 2.912 -2.427 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.039 5.044 -2.944 1.00 0.00 O ATOM 0 H GLU A 16 2.737 5.432 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 16 3.427 2.565 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.969 4.704 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.034 3.004 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.629 2.605 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.577 4.312 -4.929 1.00 0.00 H new ATOM 271 N VAL A 17 1.462 1.692 -4.002 1.00 0.00 N ATOM 272 CA VAL A 17 0.205 1.008 -3.714 1.00 0.00 C ATOM 273 C VAL A 17 0.528 -0.371 -3.127 1.00 0.00 C ATOM 274 O VAL A 17 1.692 -0.728 -2.943 1.00 0.00 O ATOM 275 CB VAL A 17 -0.614 0.874 -5.021 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.936 2.226 -5.663 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.115 0.002 -6.059 1.00 0.00 C ATOM 0 H VAL A 17 2.186 1.040 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.388 1.573 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.549 0.398 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.511 2.068 -6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.518 2.830 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.008 2.744 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.490 -0.070 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.078 0.453 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.274 -0.995 -5.649 1.00 0.00 H new ATOM 287 N GLU A 18 -0.490 -1.202 -2.959 1.00 0.00 N ATOM 288 CA GLU A 18 -0.380 -2.615 -2.616 1.00 0.00 C ATOM 289 C GLU A 18 -1.324 -3.346 -3.569 1.00 0.00 C ATOM 290 O GLU A 18 -2.278 -2.720 -4.037 1.00 0.00 O ATOM 291 CB GLU A 18 -0.808 -2.862 -1.159 1.00 0.00 C ATOM 292 CG GLU A 18 -0.043 -2.039 -0.117 1.00 0.00 C ATOM 293 CD GLU A 18 1.496 -2.216 -0.138 1.00 0.00 C ATOM 294 OE1 GLU A 18 2.006 -3.255 -0.624 1.00 0.00 O ATOM 295 OE2 GLU A 18 2.213 -1.321 0.375 1.00 0.00 O ATOM 0 H GLU A 18 -1.458 -0.898 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 18 0.648 -2.964 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.872 -2.643 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.679 -3.920 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.274 -0.985 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.410 -2.306 0.874 1.00 0.00 H new ATOM 302 N PRO A 19 -1.141 -4.640 -3.862 1.00 0.00 N ATOM 303 CA PRO A 19 -2.113 -5.387 -4.650 1.00 0.00 C ATOM 304 C PRO A 19 -3.536 -5.326 -4.066 1.00 0.00 C ATOM 305 O PRO A 19 -4.516 -5.287 -4.802 1.00 0.00 O ATOM 306 CB PRO A 19 -1.581 -6.820 -4.723 1.00 0.00 C ATOM 307 CG PRO A 19 -0.102 -6.728 -4.369 1.00 0.00 C ATOM 308 CD PRO A 19 0.005 -5.466 -3.511 1.00 0.00 C ATOM 0 HA PRO A 19 -2.216 -4.950 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.111 -7.470 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.720 -7.239 -5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.231 -7.610 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.517 -6.654 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.004 -5.714 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.939 -4.940 -3.707 1.00 0.00 H new ATOM 316 N SER A 20 -3.670 -5.219 -2.747 1.00 0.00 N ATOM 317 CA SER A 20 -4.960 -5.185 -2.061 1.00 0.00 C ATOM 318 C SER A 20 -5.380 -3.744 -1.801 1.00 0.00 C ATOM 319 O SER A 20 -6.355 -3.511 -1.085 1.00 0.00 O ATOM 320 CB SER A 20 -4.874 -6.013 -0.771 1.00 0.00 C ATOM 321 OG SER A 20 -4.350 -7.312 -1.034 1.00 0.00 O ATOM 0 H SER A 20 -2.873 -5.152 -2.114 1.00 0.00 H new ATOM 0 HA SER A 20 -5.730 -5.631 -2.690 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.240 -5.501 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.864 -6.100 -0.323 1.00 0.00 H new ATOM 0 HG SER A 20 -4.303 -7.821 -0.198 1.00 0.00 H new ATOM 327 N ASP A 21 -4.668 -2.775 -2.389 1.00 0.00 N ATOM 328 CA ASP A 21 -5.105 -1.408 -2.329 1.00 0.00 C ATOM 329 C ASP A 21 -6.298 -1.256 -3.256 1.00 0.00 C ATOM 330 O ASP A 21 -6.320 -1.807 -4.369 1.00 0.00 O ATOM 331 CB ASP A 21 -3.991 -0.433 -2.705 1.00 0.00 C ATOM 332 CG ASP A 21 -4.301 0.999 -2.251 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.103 1.171 -1.305 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.678 1.943 -2.787 1.00 0.00 O ATOM 0 H ASP A 21 -3.799 -2.926 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.388 -1.165 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.055 -0.761 -2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.846 -0.447 -3.785 1.00 0.00 H new ATOM 339 N THR A 22 -7.320 -0.565 -2.768 1.00 0.00 N ATOM 340 CA THR A 22 -8.539 -0.343 -3.510 1.00 0.00 C ATOM 341 C THR A 22 -8.351 0.733 -4.560 1.00 0.00 C ATOM 342 O THR A 22 -7.629 1.712 -4.371 1.00 0.00 O ATOM 343 CB THR A 22 -9.730 0.018 -2.612 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.342 0.953 -1.617 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.307 -1.233 -1.963 1.00 0.00 C ATOM 0 H THR A 22 -7.319 -0.143 -1.839 1.00 0.00 H new ATOM 0 HA THR A 22 -8.769 -1.291 -3.996 1.00 0.00 H new ATOM 0 HB THR A 22 -10.500 0.475 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.115 1.172 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.151 -0.958 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.644 -1.922 -2.737 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.540 -1.715 -1.357 1.00 0.00 H new ATOM 353 N ILE A 23 -9.099 0.582 -5.644 1.00 0.00 N ATOM 354 CA ILE A 23 -9.236 1.595 -6.676 1.00 0.00 C ATOM 355 C ILE A 23 -9.590 2.960 -6.078 1.00 0.00 C ATOM 356 O ILE A 23 -9.002 3.938 -6.516 1.00 0.00 O ATOM 357 CB ILE A 23 -10.276 1.133 -7.702 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.947 -0.229 -8.342 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.508 2.170 -8.817 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.473 -0.600 -8.517 1.00 0.00 C ATOM 0 H ILE A 23 -9.637 -0.264 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.279 1.721 -7.182 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.192 1.021 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.418 -1.005 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.419 -0.260 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.254 1.792 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.862 3.103 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.573 2.350 -9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.398 -1.584 -8.979 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.985 0.138 -9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.984 -0.619 -7.543 1.00 0.00 H new ATOM 372 N GLU A 24 -10.483 3.055 -5.086 1.00 0.00 N ATOM 373 CA GLU A 24 -10.844 4.351 -4.506 1.00 0.00 C ATOM 374 C GLU A 24 -9.610 5.050 -3.942 1.00 0.00 C ATOM 375 O GLU A 24 -9.370 6.230 -4.201 1.00 0.00 O ATOM 376 CB GLU A 24 -11.896 4.155 -3.403 1.00 0.00 C ATOM 377 CG GLU A 24 -12.509 5.490 -2.953 1.00 0.00 C ATOM 378 CD GLU A 24 -13.597 5.274 -1.890 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.259 5.213 -0.681 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.797 5.185 -2.246 1.00 0.00 O ATOM 0 H GLU A 24 -10.965 2.257 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.264 4.980 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.685 3.497 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.437 3.659 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.727 6.134 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.935 6.005 -3.814 1.00 0.00 H new ATOM 387 N ASN A 25 -8.782 4.302 -3.210 1.00 0.00 N ATOM 388 CA ASN A 25 -7.603 4.865 -2.560 1.00 0.00 C ATOM 389 C ASN A 25 -6.507 5.153 -3.585 1.00 0.00 C ATOM 390 O ASN A 25 -5.800 6.150 -3.478 1.00 0.00 O ATOM 391 CB ASN A 25 -7.111 3.910 -1.477 1.00 0.00 C ATOM 392 CG ASN A 25 -5.994 4.523 -0.639 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.027 5.696 -0.276 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.007 3.726 -0.277 1.00 0.00 N ATOM 0 H ASN A 25 -8.909 3.302 -3.054 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.870 5.813 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.943 3.638 -0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.754 2.990 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.255 4.081 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.996 2.755 -0.588 1.00 0.00 H new ATOM 401 N VAL A 26 -6.416 4.345 -4.643 1.00 0.00 N ATOM 402 CA VAL A 26 -5.545 4.591 -5.778 1.00 0.00 C ATOM 403 C VAL A 26 -5.961 5.905 -6.443 1.00 0.00 C ATOM 404 O VAL A 26 -5.125 6.792 -6.581 1.00 0.00 O ATOM 405 CB VAL A 26 -5.632 3.359 -6.693 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.069 3.611 -8.092 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.939 2.138 -6.075 1.00 0.00 C ATOM 0 H VAL A 26 -6.959 3.486 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.499 4.718 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.697 3.152 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.159 2.704 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.627 4.417 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.019 3.892 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.024 1.289 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.886 2.364 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.414 1.892 -5.125 1.00 0.00 H new ATOM 417 N LYS A 27 -7.239 6.097 -6.794 1.00 0.00 N ATOM 418 CA LYS A 27 -7.712 7.366 -7.362 1.00 0.00 C ATOM 419 C LYS A 27 -7.410 8.536 -6.428 1.00 0.00 C ATOM 420 O LYS A 27 -7.098 9.614 -6.926 1.00 0.00 O ATOM 421 CB LYS A 27 -9.240 7.351 -7.615 1.00 0.00 C ATOM 422 CG LYS A 27 -9.820 6.437 -8.705 1.00 0.00 C ATOM 423 CD LYS A 27 -11.312 6.798 -8.879 1.00 0.00 C ATOM 424 CE LYS A 27 -12.178 5.761 -9.601 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.607 6.202 -9.611 1.00 0.00 N ATOM 0 H LYS A 27 -7.965 5.388 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.184 7.488 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.724 7.085 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.542 8.372 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.282 6.573 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.711 5.390 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.739 6.974 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.376 7.739 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.823 5.628 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.091 4.794 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.186 5.492 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.945 6.307 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.685 7.114 -10.104 1.00 0.00 H new ATOM 439 N ALA A 28 -7.457 8.361 -5.104 1.00 0.00 N ATOM 440 CA ALA A 28 -7.105 9.429 -4.169 1.00 0.00 C ATOM 441 C ALA A 28 -5.618 9.784 -4.268 1.00 0.00 C ATOM 442 O ALA A 28 -5.254 10.955 -4.209 1.00 0.00 O ATOM 443 CB ALA A 28 -7.476 9.038 -2.738 1.00 0.00 C ATOM 0 H ALA A 28 -7.736 7.488 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.678 10.315 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.206 9.846 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.549 8.856 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.938 8.133 -2.457 1.00 0.00 H new ATOM 449 N LYS A 29 -4.742 8.809 -4.520 1.00 0.00 N ATOM 450 CA LYS A 29 -3.331 9.100 -4.799 1.00 0.00 C ATOM 451 C LYS A 29 -3.196 9.812 -6.144 1.00 0.00 C ATOM 452 O LYS A 29 -2.343 10.673 -6.316 1.00 0.00 O ATOM 453 CB LYS A 29 -2.512 7.807 -4.761 1.00 0.00 C ATOM 454 CG LYS A 29 -2.460 7.253 -3.337 1.00 0.00 C ATOM 455 CD LYS A 29 -1.881 5.836 -3.328 1.00 0.00 C ATOM 456 CE LYS A 29 -1.782 5.314 -1.885 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.392 5.387 -1.349 1.00 0.00 N ATOM 0 H LYS A 29 -4.981 7.817 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.940 9.766 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.954 7.069 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.501 7.998 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.851 7.904 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.462 7.244 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.512 5.173 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.895 5.835 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.446 5.895 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.128 4.281 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.366 4.978 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.248 4.854 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.087 6.381 -1.308 1.00 0.00 H new ATOM 471 N ILE A 30 -4.075 9.523 -7.103 1.00 0.00 N ATOM 472 CA ILE A 30 -4.090 10.287 -8.354 1.00 0.00 C ATOM 473 C ILE A 30 -4.518 11.720 -8.069 1.00 0.00 C ATOM 474 O ILE A 30 -3.938 12.618 -8.632 1.00 0.00 O ATOM 475 CB ILE A 30 -4.964 9.648 -9.442 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.755 8.143 -9.656 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.736 10.373 -10.772 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.313 7.671 -9.660 1.00 0.00 C ATOM 0 H ILE A 30 -4.773 8.782 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.076 10.282 -8.754 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.988 9.757 -9.084 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.291 7.606 -8.874 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.212 7.863 -10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.357 9.919 -11.545 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.002 11.424 -10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.687 10.292 -11.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.283 6.593 -9.819 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.769 8.171 -10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.849 7.910 -8.703 1.00 0.00 H new ATOM 490 N GLN A 31 -5.464 11.985 -7.186 1.00 0.00 N ATOM 491 CA GLN A 31 -5.819 13.336 -6.748 1.00 0.00 C ATOM 492 C GLN A 31 -4.600 14.033 -6.141 1.00 0.00 C ATOM 493 O GLN A 31 -4.388 15.210 -6.405 1.00 0.00 O ATOM 494 CB GLN A 31 -6.984 13.303 -5.748 1.00 0.00 C ATOM 495 CG GLN A 31 -7.586 14.686 -5.422 1.00 0.00 C ATOM 496 CD GLN A 31 -7.890 14.821 -3.932 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.045 15.241 -3.149 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.086 14.450 -3.498 1.00 0.00 N ATOM 0 H GLN A 31 -6.022 11.257 -6.740 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.145 13.904 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.771 12.663 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.639 12.844 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.891 15.468 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.501 14.832 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.782 14.102 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.310 14.513 -2.505 1.00 0.00 H new ATOM 507 N ASP A 32 -3.769 13.305 -5.394 1.00 0.00 N ATOM 508 CA ASP A 32 -2.520 13.846 -4.859 1.00 0.00 C ATOM 509 C ASP A 32 -1.575 14.262 -5.993 1.00 0.00 C ATOM 510 O ASP A 32 -0.868 15.263 -5.861 1.00 0.00 O ATOM 511 CB ASP A 32 -1.855 12.848 -3.901 1.00 0.00 C ATOM 512 CG ASP A 32 -0.381 13.190 -3.615 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.120 14.128 -2.822 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.517 12.492 -4.151 1.00 0.00 O ATOM 0 H ASP A 32 -3.941 12.331 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.754 14.742 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.408 12.829 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.915 11.847 -4.327 1.00 0.00 H new ATOM 519 N LYS A 33 -1.585 13.549 -7.133 1.00 0.00 N ATOM 520 CA LYS A 33 -0.602 13.769 -8.192 1.00 0.00 C ATOM 521 C LYS A 33 -1.096 14.690 -9.308 1.00 0.00 C ATOM 522 O LYS A 33 -0.329 15.473 -9.866 1.00 0.00 O ATOM 523 CB LYS A 33 -0.262 12.402 -8.771 1.00 0.00 C ATOM 524 CG LYS A 33 0.396 11.492 -7.721 1.00 0.00 C ATOM 525 CD LYS A 33 1.923 11.647 -7.698 1.00 0.00 C ATOM 526 CE LYS A 33 2.519 10.562 -6.797 1.00 0.00 C ATOM 527 NZ LYS A 33 2.562 10.977 -5.364 1.00 0.00 N ATOM 0 H LYS A 33 -2.265 12.817 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 33 0.265 14.269 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.169 11.929 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.409 12.523 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.007 11.726 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.141 10.453 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.326 11.562 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.196 12.635 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.929 9.650 -6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.528 10.326 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.626 10.133 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.392 11.582 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.698 11.506 -5.130 1.00 0.00 H new ATOM 541 N GLU A 34 -2.392 14.607 -9.586 1.00 0.00 N ATOM 542 CA GLU A 34 -3.065 15.188 -10.735 1.00 0.00 C ATOM 543 C GLU A 34 -4.067 16.273 -10.344 1.00 0.00 C ATOM 544 O GLU A 34 -4.269 17.228 -11.095 1.00 0.00 O ATOM 545 CB GLU A 34 -3.790 14.045 -11.472 1.00 0.00 C ATOM 546 CG GLU A 34 -2.839 12.960 -11.991 1.00 0.00 C ATOM 547 CD GLU A 34 -1.578 13.524 -12.659 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.681 14.311 -13.628 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.465 13.168 -12.217 1.00 0.00 O ATOM 0 H GLU A 34 -3.036 14.102 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.323 15.671 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.516 13.590 -10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.349 14.460 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.545 12.317 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.371 12.333 -12.707 1.00 0.00 H new ATOM 556 N GLY A 35 -4.687 16.135 -9.169 1.00 0.00 N ATOM 557 CA GLY A 35 -5.572 17.134 -8.579 1.00 0.00 C ATOM 558 C GLY A 35 -7.045 16.817 -8.788 1.00 0.00 C ATOM 559 O GLY A 35 -7.889 17.688 -8.575 1.00 0.00 O ATOM 0 H GLY A 35 -4.582 15.302 -8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.369 17.206 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.350 18.109 -9.012 1.00 0.00 H new ATOM 563 N ILE A 36 -7.375 15.589 -9.213 1.00 0.00 N ATOM 564 CA ILE A 36 -8.723 15.247 -9.654 1.00 0.00 C ATOM 565 C ILE A 36 -9.381 14.393 -8.572 1.00 0.00 C ATOM 566 O ILE A 36 -8.819 13.353 -8.240 1.00 0.00 O ATOM 567 CB ILE A 36 -8.616 14.471 -10.975 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.863 15.296 -12.041 1.00 0.00 C ATOM 569 CG2 ILE A 36 -10.022 14.122 -11.493 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.537 14.447 -13.261 1.00 0.00 C ATOM 0 H ILE A 36 -6.715 14.813 -9.258 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.328 16.139 -9.816 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.057 13.554 -10.787 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.470 16.150 -12.340 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.942 15.694 -11.614 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.938 13.572 -12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.539 13.507 -10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.586 15.039 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.007 15.054 -13.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.909 13.607 -12.963 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.461 14.071 -13.700 1.00 0.00 H new ATOM 582 N PRO A 37 -10.573 14.747 -8.068 1.00 0.00 N ATOM 583 CA PRO A 37 -11.262 13.968 -7.045 1.00 0.00 C ATOM 584 C PRO A 37 -11.734 12.613 -7.582 1.00 0.00 C ATOM 585 O PRO A 37 -12.080 12.514 -8.756 1.00 0.00 O ATOM 586 CB PRO A 37 -12.433 14.836 -6.574 1.00 0.00 C ATOM 587 CG PRO A 37 -12.602 15.943 -7.616 1.00 0.00 C ATOM 588 CD PRO A 37 -11.349 15.898 -8.491 1.00 0.00 C ATOM 0 HA PRO A 37 -10.595 13.728 -6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.344 14.244 -6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.231 15.258 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.500 15.782 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.708 16.916 -7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.618 15.815 -9.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.769 16.815 -8.381 1.00 0.00 H new ATOM 596 N PRO A 38 -11.820 11.567 -6.740 1.00 0.00 N ATOM 597 CA PRO A 38 -12.121 10.216 -7.202 1.00 0.00 C ATOM 598 C PRO A 38 -13.491 10.068 -7.827 1.00 0.00 C ATOM 599 O PRO A 38 -13.627 9.301 -8.774 1.00 0.00 O ATOM 600 CB PRO A 38 -11.992 9.317 -5.984 1.00 0.00 C ATOM 601 CG PRO A 38 -12.129 10.249 -4.780 1.00 0.00 C ATOM 602 CD PRO A 38 -11.551 11.564 -5.305 1.00 0.00 C ATOM 0 HA PRO A 38 -11.427 9.949 -7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.766 8.549 -5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.032 8.801 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.168 10.359 -4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.575 9.879 -3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.018 12.420 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.481 11.629 -5.107 1.00 0.00 H new ATOM 610 N ASP A 39 -14.475 10.829 -7.358 1.00 0.00 N ATOM 611 CA ASP A 39 -15.832 10.717 -7.893 1.00 0.00 C ATOM 612 C ASP A 39 -15.880 11.209 -9.342 1.00 0.00 C ATOM 613 O ASP A 39 -16.691 10.762 -10.148 1.00 0.00 O ATOM 614 CB ASP A 39 -16.790 11.533 -7.017 1.00 0.00 C ATOM 615 CG ASP A 39 -18.231 11.495 -7.556 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.950 10.514 -7.253 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.653 12.460 -8.239 1.00 0.00 O ATOM 0 H ASP A 39 -14.363 11.522 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.137 9.671 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.772 11.144 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.447 12.567 -6.969 1.00 0.00 H new ATOM 622 N GLN A 40 -14.948 12.100 -9.685 1.00 0.00 N ATOM 623 CA GLN A 40 -14.849 12.738 -10.992 1.00 0.00 C ATOM 624 C GLN A 40 -13.875 11.989 -11.909 1.00 0.00 C ATOM 625 O GLN A 40 -13.815 12.256 -13.105 1.00 0.00 O ATOM 626 CB GLN A 40 -14.459 14.207 -10.705 1.00 0.00 C ATOM 627 CG GLN A 40 -13.961 15.026 -11.901 1.00 0.00 C ATOM 628 CD GLN A 40 -13.954 16.535 -11.627 1.00 0.00 C ATOM 629 OE1 GLN A 40 -12.908 17.132 -11.389 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.113 17.182 -11.662 1.00 0.00 N ATOM 0 H GLN A 40 -14.220 12.405 -9.038 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.787 12.711 -11.546 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.326 14.714 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.682 14.211 -9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.953 14.704 -12.161 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.594 14.821 -12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.975 16.674 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.141 18.187 -11.490 1.00 0.00 H new ATOM 639 N GLN A 41 -13.158 10.990 -11.403 1.00 0.00 N ATOM 640 CA GLN A 41 -12.035 10.345 -12.053 1.00 0.00 C ATOM 641 C GLN A 41 -12.417 8.905 -12.366 1.00 0.00 C ATOM 642 O GLN A 41 -13.027 8.258 -11.521 1.00 0.00 O ATOM 643 CB GLN A 41 -10.948 10.432 -10.971 1.00 0.00 C ATOM 644 CG GLN A 41 -9.534 10.111 -11.429 1.00 0.00 C ATOM 645 CD GLN A 41 -8.606 9.808 -10.262 1.00 0.00 C ATOM 646 OE1 GLN A 41 -7.990 8.755 -10.239 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.504 10.662 -9.254 1.00 0.00 N ATOM 0 H GLN A 41 -13.358 10.594 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.718 10.788 -12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.955 11.439 -10.555 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.211 9.751 -10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.558 9.255 -12.103 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.138 10.953 -11.997 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.020 11.541 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.909 10.440 -8.456 1.00 0.00 H new ATOM 656 N ARG A 42 -12.048 8.363 -13.529 1.00 0.00 N ATOM 657 CA ARG A 42 -12.219 6.925 -13.793 1.00 0.00 C ATOM 658 C ARG A 42 -10.855 6.278 -13.896 1.00 0.00 C ATOM 659 O ARG A 42 -9.884 6.947 -14.235 1.00 0.00 O ATOM 660 CB ARG A 42 -13.060 6.667 -15.061 1.00 0.00 C ATOM 661 CG ARG A 42 -14.268 5.762 -14.809 1.00 0.00 C ATOM 662 CD ARG A 42 -15.414 5.942 -15.825 1.00 0.00 C ATOM 663 NE ARG A 42 -16.587 5.116 -15.436 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.779 5.047 -16.052 1.00 0.00 C ATOM 665 NH1 ARG A 42 -18.016 5.762 -17.140 1.00 0.00 N ATOM 666 NH2 ARG A 42 -18.734 4.257 -15.582 1.00 0.00 N ATOM 0 H ARG A 42 -11.633 8.888 -14.298 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.770 6.479 -12.965 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.406 7.621 -15.460 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.427 6.213 -15.823 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.940 4.723 -14.828 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.651 5.957 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.702 6.992 -15.876 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.074 5.656 -16.820 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.474 4.535 -14.606 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.291 6.372 -17.518 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.924 5.703 -17.601 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.567 3.696 -14.747 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.636 4.210 -16.055 1.00 0.00 H new ATOM 680 N LEU A 43 -10.819 4.971 -13.670 1.00 0.00 N ATOM 681 CA LEU A 43 -9.615 4.168 -13.770 1.00 0.00 C ATOM 682 C LEU A 43 -9.919 3.028 -14.711 1.00 0.00 C ATOM 683 O LEU A 43 -10.919 2.333 -14.553 1.00 0.00 O ATOM 684 CB LEU A 43 -9.208 3.670 -12.367 1.00 0.00 C ATOM 685 CG LEU A 43 -7.729 3.913 -12.057 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.358 5.404 -12.105 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.438 3.400 -10.644 1.00 0.00 C ATOM 0 H LEU A 43 -11.644 4.432 -13.407 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.774 4.743 -14.158 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.819 4.172 -11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.420 2.604 -12.289 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.142 3.391 -12.813 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.299 5.523 -11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.562 5.798 -13.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.950 5.950 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.387 3.565 -10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.061 3.935 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.659 2.334 -10.591 1.00 0.00 H new ATOM 699 N ILE A 44 -9.074 2.875 -15.713 1.00 0.00 N ATOM 700 CA ILE A 44 -9.127 1.799 -16.700 1.00 0.00 C ATOM 701 C ILE A 44 -7.826 1.024 -16.568 1.00 0.00 C ATOM 702 O ILE A 44 -6.813 1.554 -16.116 1.00 0.00 O ATOM 703 CB ILE A 44 -9.396 2.407 -18.109 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.816 3.027 -18.062 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.290 1.418 -19.292 1.00 0.00 C ATOM 706 CD1 ILE A 44 -11.172 3.944 -19.223 1.00 0.00 C ATOM 0 H ILE A 44 -8.299 3.519 -15.873 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.945 1.097 -16.538 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.612 3.139 -18.306 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.545 2.218 -18.025 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.917 3.590 -17.134 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.495 1.943 -20.225 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.285 0.998 -19.326 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.015 0.615 -19.161 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.186 4.322 -19.090 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.474 4.780 -19.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.112 3.387 -20.158 1.00 0.00 H new ATOM 718 N PHE A 45 -7.850 -0.230 -16.988 1.00 0.00 N ATOM 719 CA PHE A 45 -6.693 -1.098 -17.030 1.00 0.00 C ATOM 720 C PHE A 45 -6.876 -1.983 -18.244 1.00 0.00 C ATOM 721 O PHE A 45 -7.858 -2.704 -18.309 1.00 0.00 O ATOM 722 CB PHE A 45 -6.664 -1.939 -15.748 1.00 0.00 C ATOM 723 CG PHE A 45 -5.633 -3.046 -15.777 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.288 -2.723 -16.019 1.00 0.00 C ATOM 725 CD2 PHE A 45 -6.014 -4.391 -15.609 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.315 -3.733 -16.051 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.036 -5.401 -15.606 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.687 -5.070 -15.815 1.00 0.00 C ATOM 0 H PHE A 45 -8.703 -0.682 -17.318 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.757 -0.544 -17.095 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.461 -1.286 -14.899 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.650 -2.375 -15.586 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.002 -1.694 -16.181 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.056 -4.646 -15.483 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.284 -3.486 -16.256 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.321 -6.430 -15.443 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.933 -5.843 -15.795 1.00 0.00 H new ATOM 738 N ALA A 46 -5.975 -1.913 -19.219 1.00 0.00 N ATOM 739 CA ALA A 46 -5.914 -2.857 -20.344 1.00 0.00 C ATOM 740 C ALA A 46 -7.239 -3.047 -21.111 1.00 0.00 C ATOM 741 O ALA A 46 -7.545 -4.131 -21.611 1.00 0.00 O ATOM 742 CB ALA A 46 -5.365 -4.184 -19.803 1.00 0.00 C ATOM 0 H ALA A 46 -5.255 -1.192 -19.256 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.252 -2.436 -21.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.306 -4.911 -20.613 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.371 -4.024 -19.386 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.028 -4.562 -19.025 1.00 0.00 H new ATOM 748 N GLY A 47 -8.040 -1.984 -21.172 1.00 0.00 N ATOM 749 CA GLY A 47 -9.334 -1.966 -21.857 1.00 0.00 C ATOM 750 C GLY A 47 -10.509 -2.345 -20.956 1.00 0.00 C ATOM 751 O GLY A 47 -11.620 -2.536 -21.443 1.00 0.00 O ATOM 0 H GLY A 47 -7.803 -1.092 -20.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.506 -0.970 -22.264 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.298 -2.654 -22.702 1.00 0.00 H new ATOM 755 N LYS A 48 -10.296 -2.425 -19.638 1.00 0.00 N ATOM 756 CA LYS A 48 -11.267 -2.831 -18.634 1.00 0.00 C ATOM 757 C LYS A 48 -11.358 -1.699 -17.624 1.00 0.00 C ATOM 758 O LYS A 48 -10.360 -1.329 -17.026 1.00 0.00 O ATOM 759 CB LYS A 48 -10.727 -4.137 -18.013 1.00 0.00 C ATOM 760 CG LYS A 48 -11.690 -4.839 -17.064 1.00 0.00 C ATOM 761 CD LYS A 48 -12.869 -5.563 -17.739 1.00 0.00 C ATOM 762 CE LYS A 48 -12.407 -6.760 -18.583 1.00 0.00 C ATOM 763 NZ LYS A 48 -13.547 -7.516 -19.169 1.00 0.00 N ATOM 0 H LYS A 48 -9.391 -2.194 -19.228 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.267 -3.017 -19.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.466 -4.825 -18.818 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.806 -3.913 -17.474 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.129 -5.564 -16.475 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.089 -4.102 -16.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.567 -5.906 -16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.410 -4.860 -18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.759 -6.407 -19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.811 -7.430 -17.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.183 -8.313 -19.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.153 -7.877 -18.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.102 -6.886 -19.783 1.00 0.00 H new ATOM 777 N GLN A 49 -12.515 -1.079 -17.467 1.00 0.00 N ATOM 778 CA GLN A 49 -12.768 -0.113 -16.396 1.00 0.00 C ATOM 779 C GLN A 49 -12.658 -0.846 -15.053 1.00 0.00 C ATOM 780 O GLN A 49 -13.049 -2.009 -14.951 1.00 0.00 O ATOM 781 CB GLN A 49 -14.197 0.412 -16.592 1.00 0.00 C ATOM 782 CG GLN A 49 -14.531 1.709 -15.846 1.00 0.00 C ATOM 783 CD GLN A 49 -16.044 1.904 -15.677 1.00 0.00 C ATOM 784 OE1 GLN A 49 -16.505 2.320 -14.621 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.849 1.654 -16.700 1.00 0.00 N ATOM 0 H GLN A 49 -13.316 -1.229 -18.081 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.056 0.712 -16.413 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.364 0.573 -17.657 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.896 -0.361 -16.273 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.056 1.695 -14.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.115 2.557 -16.390 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.464 1.308 -17.579 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.853 1.808 -16.608 1.00 0.00 H new ATOM 794 N LEU A 50 -12.183 -0.149 -14.021 1.00 0.00 N ATOM 795 CA LEU A 50 -12.167 -0.651 -12.647 1.00 0.00 C ATOM 796 C LEU A 50 -13.208 0.125 -11.844 1.00 0.00 C ATOM 797 O LEU A 50 -13.525 1.251 -12.229 1.00 0.00 O ATOM 798 CB LEU A 50 -10.768 -0.490 -12.024 1.00 0.00 C ATOM 799 CG LEU A 50 -9.546 -0.804 -12.910 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.265 -0.769 -12.067 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.648 -2.149 -13.632 1.00 0.00 C ATOM 0 H LEU A 50 -11.795 0.789 -14.116 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.407 -1.714 -12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.673 0.538 -11.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.717 -1.131 -11.144 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.517 -0.033 -13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.406 -0.992 -12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.145 0.222 -11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.332 -1.512 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.755 -2.306 -14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.734 -2.950 -12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.528 -2.151 -14.276 1.00 0.00 H new ATOM 813 N GLU A 51 -13.691 -0.404 -10.712 1.00 0.00 N ATOM 814 CA GLU A 51 -14.629 0.318 -9.854 1.00 0.00 C ATOM 815 C GLU A 51 -14.015 0.537 -8.475 1.00 0.00 C ATOM 816 O GLU A 51 -13.131 -0.202 -8.055 1.00 0.00 O ATOM 817 CB GLU A 51 -16.033 -0.318 -9.872 1.00 0.00 C ATOM 818 CG GLU A 51 -16.151 -1.642 -9.127 1.00 0.00 C ATOM 819 CD GLU A 51 -17.571 -2.224 -9.222 1.00 0.00 C ATOM 820 OE1 GLU A 51 -17.897 -2.908 -10.224 1.00 0.00 O ATOM 821 OE2 GLU A 51 -18.374 -2.024 -8.274 1.00 0.00 O ATOM 0 H GLU A 51 -13.444 -1.333 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.804 1.317 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.741 0.389 -9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.331 -0.474 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.437 -2.356 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.887 -1.495 -8.080 1.00 0.00 H new ATOM 828 N ASP A 52 -14.476 1.576 -7.779 1.00 0.00 N ATOM 829 CA ASP A 52 -13.870 2.100 -6.549 1.00 0.00 C ATOM 830 C ASP A 52 -13.752 1.050 -5.454 1.00 0.00 C ATOM 831 O ASP A 52 -12.755 1.022 -4.730 1.00 0.00 O ATOM 832 CB ASP A 52 -14.673 3.307 -6.043 1.00 0.00 C ATOM 833 CG ASP A 52 -14.322 4.579 -6.823 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.149 5.003 -6.784 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.187 5.124 -7.546 1.00 0.00 O ATOM 0 H ASP A 52 -15.308 2.094 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.855 2.409 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.739 3.102 -6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.472 3.461 -4.983 1.00 0.00 H new ATOM 840 N GLY A 53 -14.739 0.156 -5.376 1.00 0.00 N ATOM 841 CA GLY A 53 -14.846 -0.861 -4.341 1.00 0.00 C ATOM 842 C GLY A 53 -13.991 -2.102 -4.602 1.00 0.00 C ATOM 843 O GLY A 53 -14.166 -3.109 -3.914 1.00 0.00 O ATOM 0 H GLY A 53 -15.503 0.122 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.554 -0.425 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.889 -1.163 -4.249 1.00 0.00 H new ATOM 847 N ARG A 54 -13.103 -2.072 -5.598 1.00 0.00 N ATOM 848 CA ARG A 54 -12.295 -3.212 -6.028 1.00 0.00 C ATOM 849 C ARG A 54 -10.833 -2.903 -5.802 1.00 0.00 C ATOM 850 O ARG A 54 -10.507 -1.797 -5.386 1.00 0.00 O ATOM 851 CB ARG A 54 -12.613 -3.505 -7.497 1.00 0.00 C ATOM 852 CG ARG A 54 -14.059 -3.962 -7.742 1.00 0.00 C ATOM 853 CD ARG A 54 -14.494 -5.196 -6.962 1.00 0.00 C ATOM 854 NE ARG A 54 -15.828 -5.667 -7.385 1.00 0.00 N ATOM 855 CZ ARG A 54 -16.102 -6.457 -8.432 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.137 -6.951 -9.202 1.00 0.00 N ATOM 857 NH2 ARG A 54 -17.369 -6.760 -8.706 1.00 0.00 N ATOM 0 H ARG A 54 -12.922 -1.229 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.528 -4.105 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.421 -2.608 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.933 -4.276 -7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.729 -3.140 -7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.184 -4.163 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.764 -5.993 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.510 -4.966 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.622 -5.360 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.161 -6.731 -9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.372 -7.550 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.119 -6.392 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.589 -7.360 -9.501 1.00 0.00 H new ATOM 871 N THR A 55 -9.935 -3.842 -6.063 1.00 0.00 N ATOM 872 CA THR A 55 -8.523 -3.702 -5.748 1.00 0.00 C ATOM 873 C THR A 55 -7.698 -4.065 -6.959 1.00 0.00 C ATOM 874 O THR A 55 -8.194 -4.641 -7.924 1.00 0.00 O ATOM 875 CB THR A 55 -8.161 -4.625 -4.585 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.560 -5.948 -4.898 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.787 -4.208 -3.261 1.00 0.00 C ATOM 0 H THR A 55 -10.170 -4.731 -6.504 1.00 0.00 H new ATOM 0 HA THR A 55 -8.317 -2.670 -5.465 1.00 0.00 H new ATOM 0 HB THR A 55 -7.081 -4.560 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.328 -6.544 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.487 -4.908 -2.481 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.449 -3.205 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.873 -4.212 -3.355 1.00 0.00 H new ATOM 885 N LEU A 56 -6.414 -3.756 -6.894 1.00 0.00 N ATOM 886 CA LEU A 56 -5.502 -4.086 -7.987 1.00 0.00 C ATOM 887 C LEU A 56 -5.479 -5.602 -8.232 1.00 0.00 C ATOM 888 O LEU A 56 -5.621 -6.049 -9.370 1.00 0.00 O ATOM 889 CB LEU A 56 -4.112 -3.484 -7.692 1.00 0.00 C ATOM 890 CG LEU A 56 -4.153 -1.979 -7.380 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.740 -1.431 -7.240 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.865 -1.189 -8.486 1.00 0.00 C ATOM 0 H LEU A 56 -5.978 -3.281 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.851 -3.642 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.668 -4.011 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.462 -3.652 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.704 -1.862 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.784 -0.364 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.228 -1.949 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.195 -1.587 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.873 -0.130 -8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.338 -1.329 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.890 -1.546 -8.586 1.00 0.00 H new ATOM 904 N SER A 57 -5.426 -6.395 -7.167 1.00 0.00 N ATOM 905 CA SER A 57 -5.521 -7.846 -7.214 1.00 0.00 C ATOM 906 C SER A 57 -6.865 -8.334 -7.759 1.00 0.00 C ATOM 907 O SER A 57 -6.883 -9.380 -8.410 1.00 0.00 O ATOM 908 CB SER A 57 -5.309 -8.429 -5.815 1.00 0.00 C ATOM 909 OG SER A 57 -3.929 -8.508 -5.529 1.00 0.00 O ATOM 0 H SER A 57 -5.312 -6.033 -6.220 1.00 0.00 H new ATOM 0 HA SER A 57 -4.743 -8.189 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.807 -7.805 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.759 -9.420 -5.753 1.00 0.00 H new ATOM 0 HG SER A 57 -3.802 -8.880 -4.631 1.00 0.00 H new ATOM 915 N ASP A 58 -7.973 -7.599 -7.574 1.00 0.00 N ATOM 916 CA ASP A 58 -9.262 -8.000 -8.146 1.00 0.00 C ATOM 917 C ASP A 58 -9.210 -7.993 -9.677 1.00 0.00 C ATOM 918 O ASP A 58 -9.933 -8.747 -10.331 1.00 0.00 O ATOM 919 CB ASP A 58 -10.364 -7.072 -7.649 1.00 0.00 C ATOM 920 CG ASP A 58 -11.740 -7.588 -8.104 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.197 -8.628 -7.572 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.397 -6.922 -8.934 1.00 0.00 O ATOM 0 H ASP A 58 -8.000 -6.732 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.480 -9.017 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.333 -7.009 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.201 -6.064 -8.032 1.00 0.00 H new ATOM 927 N TYR A 59 -8.278 -7.214 -10.231 1.00 0.00 N ATOM 928 CA TYR A 59 -7.998 -7.092 -11.659 1.00 0.00 C ATOM 929 C TYR A 59 -6.659 -7.731 -12.048 1.00 0.00 C ATOM 930 O TYR A 59 -6.201 -7.595 -13.182 1.00 0.00 O ATOM 931 CB TYR A 59 -8.105 -5.620 -12.046 1.00 0.00 C ATOM 932 CG TYR A 59 -9.482 -5.048 -11.772 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.579 -5.460 -12.553 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.674 -4.135 -10.714 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.864 -4.954 -12.294 1.00 0.00 C ATOM 936 CE2 TYR A 59 -10.957 -3.642 -10.446 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.057 -4.035 -11.239 1.00 0.00 C ATOM 938 OH TYR A 59 -13.280 -3.471 -11.023 1.00 0.00 O ATOM 0 H TYR A 59 -7.669 -6.623 -9.665 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.738 -7.654 -12.229 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.360 -5.047 -11.494 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.872 -5.508 -13.105 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.432 -6.168 -13.355 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.835 -3.817 -10.113 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.702 -5.267 -12.900 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.106 -2.955 -9.626 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.964 -4.172 -10.999 1.00 0.00 H new ATOM 948 N ASN A 60 -6.053 -8.469 -11.113 1.00 0.00 N ATOM 949 CA ASN A 60 -4.826 -9.249 -11.252 1.00 0.00 C ATOM 950 C ASN A 60 -3.595 -8.406 -11.606 1.00 0.00 C ATOM 951 O ASN A 60 -2.573 -8.930 -12.052 1.00 0.00 O ATOM 952 CB ASN A 60 -5.046 -10.452 -12.192 1.00 0.00 C ATOM 953 CG ASN A 60 -4.255 -11.660 -11.707 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.261 -12.073 -12.299 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.699 -12.248 -10.605 1.00 0.00 N ATOM 0 H ASN A 60 -6.438 -8.540 -10.171 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.588 -9.651 -10.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.107 -10.698 -12.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.738 -10.191 -13.204 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.213 -13.063 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.527 -11.886 -10.132 1.00 0.00 H new ATOM 962 N ILE A 61 -3.692 -7.093 -11.394 1.00 0.00 N ATOM 963 CA ILE A 61 -2.586 -6.148 -11.464 1.00 0.00 C ATOM 964 C ILE A 61 -1.609 -6.532 -10.350 1.00 0.00 C ATOM 965 O ILE A 61 -2.027 -6.918 -9.256 1.00 0.00 O ATOM 966 CB ILE A 61 -3.169 -4.735 -11.259 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.140 -4.336 -12.391 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.085 -3.649 -11.106 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.165 -3.311 -11.913 1.00 0.00 C ATOM 0 H ILE A 61 -4.578 -6.645 -11.160 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.061 -6.165 -12.419 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.722 -4.792 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.576 -3.925 -13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.655 -5.223 -12.759 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.560 -2.678 -10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.461 -3.877 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.466 -3.623 -12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.832 -3.053 -12.735 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.746 -3.733 -11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.650 -2.414 -11.569 1.00 0.00 H new ATOM 981 N GLN A 62 -0.311 -6.390 -10.611 1.00 0.00 N ATOM 982 CA GLN A 62 0.772 -6.592 -9.652 1.00 0.00 C ATOM 983 C GLN A 62 1.639 -5.327 -9.658 1.00 0.00 C ATOM 984 O GLN A 62 1.223 -4.290 -10.170 1.00 0.00 O ATOM 985 CB GLN A 62 1.549 -7.874 -10.025 1.00 0.00 C ATOM 986 CG GLN A 62 0.658 -9.125 -10.028 1.00 0.00 C ATOM 987 CD GLN A 62 0.305 -9.633 -8.624 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.011 -10.464 -8.056 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.777 -9.152 -8.023 1.00 0.00 N ATOM 0 H GLN A 62 0.028 -6.120 -11.534 1.00 0.00 H new ATOM 0 HA GLN A 62 0.404 -6.742 -8.637 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.997 -7.749 -11.011 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.367 -8.017 -9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.263 -8.903 -10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.164 -9.920 -10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.360 -8.463 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.025 -9.472 -7.087 1.00 0.00 H new ATOM 998 N LYS A 63 2.825 -5.364 -9.054 1.00 0.00 N ATOM 999 CA LYS A 63 3.762 -4.249 -9.085 1.00 0.00 C ATOM 1000 C LYS A 63 4.201 -3.958 -10.504 1.00 0.00 C ATOM 1001 O LYS A 63 4.102 -4.798 -11.398 1.00 0.00 O ATOM 1002 CB LYS A 63 4.982 -4.567 -8.208 1.00 0.00 C ATOM 1003 CG LYS A 63 5.998 -5.529 -8.825 1.00 0.00 C ATOM 1004 CD LYS A 63 6.990 -5.956 -7.741 1.00 0.00 C ATOM 1005 CE LYS A 63 8.129 -6.819 -8.303 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.316 -6.036 -8.738 1.00 0.00 N ATOM 0 H LYS A 63 3.162 -6.171 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 63 3.261 -3.364 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.490 -3.633 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.632 -4.990 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.491 -6.401 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.523 -5.046 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.409 -5.069 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.462 -6.513 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.437 -7.537 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.754 -7.393 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.977 -6.660 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.013 -5.268 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.789 -5.631 -7.905 1.00 0.00 H new ATOM 1020 N GLU A 64 4.783 -2.770 -10.621 1.00 0.00 N ATOM 1021 CA GLU A 64 5.383 -2.207 -11.814 1.00 0.00 C ATOM 1022 C GLU A 64 4.498 -2.523 -13.019 1.00 0.00 C ATOM 1023 O GLU A 64 4.940 -3.041 -14.049 1.00 0.00 O ATOM 1024 CB GLU A 64 6.847 -2.656 -11.933 1.00 0.00 C ATOM 1025 CG GLU A 64 7.688 -2.147 -10.757 1.00 0.00 C ATOM 1026 CD GLU A 64 9.121 -2.688 -10.826 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.331 -3.869 -10.458 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.039 -1.927 -11.211 1.00 0.00 O ATOM 0 H GLU A 64 4.850 -2.134 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 64 5.432 -1.119 -11.762 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.893 -3.744 -11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.267 -2.287 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.707 -1.057 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.226 -2.451 -9.818 1.00 0.00 H new ATOM 1035 N SER A 65 3.206 -2.251 -12.819 1.00 0.00 N ATOM 1036 CA SER A 65 2.163 -2.536 -13.802 1.00 0.00 C ATOM 1037 C SER A 65 1.468 -1.232 -14.142 1.00 0.00 C ATOM 1038 O SER A 65 1.421 -0.321 -13.315 1.00 0.00 O ATOM 1039 CB SER A 65 1.188 -3.596 -13.268 1.00 0.00 C ATOM 1040 OG SER A 65 1.816 -4.858 -13.111 1.00 0.00 O ATOM 0 H SER A 65 2.854 -1.823 -11.963 1.00 0.00 H new ATOM 0 HA SER A 65 2.596 -2.953 -14.711 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.785 -3.269 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.345 -3.692 -13.952 1.00 0.00 H new ATOM 0 HG SER A 65 2.580 -4.770 -12.504 1.00 0.00 H new ATOM 1046 N THR A 66 0.935 -1.138 -15.354 1.00 0.00 N ATOM 1047 CA THR A 66 0.434 0.110 -15.909 1.00 0.00 C ATOM 1048 C THR A 66 -1.089 0.131 -15.823 1.00 0.00 C ATOM 1049 O THR A 66 -1.748 -0.893 -15.959 1.00 0.00 O ATOM 1050 CB THR A 66 0.955 0.283 -17.357 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.362 0.097 -17.367 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.644 1.653 -17.986 1.00 0.00 C ATOM 0 H THR A 66 0.838 -1.934 -15.984 1.00 0.00 H new ATOM 0 HA THR A 66 0.802 0.959 -15.333 1.00 0.00 H new ATOM 0 HB THR A 66 0.433 -0.463 -17.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.700 0.203 -18.281 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.044 1.688 -18.999 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.435 1.803 -18.017 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.102 2.441 -17.388 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.636 1.325 -15.623 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.044 1.651 -15.501 1.00 0.00 C ATOM 1062 C LEU A 67 -3.348 2.850 -16.395 1.00 0.00 C ATOM 1063 O LEU A 67 -2.425 3.458 -16.931 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.283 2.026 -14.029 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.439 1.297 -13.369 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.112 -0.183 -13.211 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.674 1.898 -11.988 1.00 0.00 C ATOM 0 H LEU A 67 -1.052 2.157 -15.535 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.682 0.818 -15.798 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.373 1.823 -13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.464 3.099 -13.966 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.328 1.401 -13.991 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.951 -0.692 -12.736 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.929 -0.622 -14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.222 -0.295 -12.592 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.503 1.382 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.774 1.785 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.914 2.957 -12.088 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.615 3.252 -16.478 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.057 4.401 -17.272 1.00 0.00 C ATOM 1081 C HIS A 68 -5.904 5.326 -16.387 1.00 0.00 C ATOM 1082 O HIS A 68 -6.804 4.832 -15.709 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.883 3.888 -18.464 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.115 3.570 -19.721 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.412 2.425 -20.026 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.135 4.331 -20.853 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -4.017 2.503 -21.314 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.434 3.658 -21.852 1.00 0.00 N ATOM 0 H HIS A 68 -5.377 2.782 -15.988 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.200 4.962 -17.646 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.414 2.989 -18.151 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.638 4.636 -18.704 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.223 1.652 -19.388 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.614 5.293 -20.958 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.449 1.746 -21.835 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.687 6.654 -16.405 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.529 7.633 -15.710 1.00 0.00 C ATOM 1097 C LEU A 69 -7.363 8.315 -16.766 1.00 0.00 C ATOM 1098 O LEU A 69 -6.787 8.753 -17.756 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.589 8.682 -15.079 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.100 9.977 -14.443 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.503 11.091 -15.416 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -7.224 9.705 -13.469 1.00 0.00 C ATOM 0 H LEU A 69 -4.910 7.079 -16.911 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.157 7.171 -14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.017 8.163 -14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.884 8.975 -15.857 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.228 10.365 -13.916 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.849 11.958 -14.853 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.643 11.372 -16.024 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.305 10.736 -16.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.565 10.645 -13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.051 9.226 -13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.867 9.047 -12.676 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.659 8.498 -16.530 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.500 9.341 -17.383 1.00 0.00 C ATOM 1116 C VAL A 70 -10.322 10.257 -16.491 1.00 0.00 C ATOM 1117 O VAL A 70 -10.465 10.014 -15.294 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.370 8.492 -18.338 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.649 7.270 -18.898 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.644 7.950 -17.699 1.00 0.00 C ATOM 0 H VAL A 70 -9.156 8.071 -15.748 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.877 9.956 -18.032 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.605 9.207 -19.126 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.321 6.723 -19.559 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.770 7.591 -19.458 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.340 6.622 -18.078 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.199 7.366 -18.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.385 7.316 -16.851 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.261 8.781 -17.355 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.936 11.259 -17.101 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.823 12.195 -16.445 1.00 0.00 C ATOM 1132 C LEU A 71 -13.217 11.790 -16.851 1.00 0.00 C ATOM 1133 O LEU A 71 -13.551 11.820 -18.030 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.486 13.593 -16.973 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.046 14.831 -16.261 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -13.410 15.221 -16.843 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.101 14.680 -14.743 1.00 0.00 C ATOM 0 H LEU A 71 -10.824 11.445 -18.098 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.730 12.198 -15.359 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.400 13.685 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.816 13.637 -18.011 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.346 15.645 -16.449 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.789 16.101 -16.324 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.302 15.444 -17.904 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.110 14.395 -16.715 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.506 15.590 -14.301 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.740 13.835 -14.484 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.096 14.506 -14.358 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.041 11.464 -15.874 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.456 11.151 -16.083 1.00 0.00 C ATOM 1151 C ARG A 72 -16.376 12.219 -15.540 1.00 0.00 C ATOM 1152 O ARG A 72 -17.562 11.959 -15.416 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.812 9.772 -15.509 1.00 0.00 C ATOM 1154 CG ARG A 72 -15.770 9.704 -13.965 1.00 0.00 C ATOM 1155 CD ARG A 72 -16.621 8.558 -13.407 1.00 0.00 C ATOM 1156 NE ARG A 72 -18.064 8.792 -13.637 1.00 0.00 N ATOM 1157 CZ ARG A 72 -19.073 7.928 -13.473 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -18.863 6.704 -13.005 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -20.302 8.313 -13.787 1.00 0.00 N ATOM 0 H ARG A 72 -13.751 11.406 -14.898 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.611 11.123 -17.162 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.811 9.496 -15.848 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.122 9.032 -15.914 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.738 9.579 -13.638 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.123 10.649 -13.553 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.324 7.621 -13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.434 8.452 -12.338 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.321 9.725 -13.960 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.918 6.406 -12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.646 6.061 -12.888 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.466 9.253 -14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.084 7.669 -13.669 1.00 0.00 H new ATOM 1331 N ILE B 683 -5.831 15.212 -21.698 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.290 14.164 -22.575 1.00 0.00 C ATOM 1333 C ILE B 683 -5.573 14.350 -23.925 1.00 0.00 C ATOM 1334 O ILE B 683 -5.425 15.475 -24.409 1.00 0.00 O ATOM 1335 CB ILE B 683 -7.821 14.245 -22.688 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.642 14.707 -21.445 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.327 12.881 -23.101 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -8.711 13.804 -20.201 1.00 0.00 C ATOM 0 HA ILE B 683 -6.056 13.169 -22.197 1.00 0.00 H new ATOM 0 HB ILE B 683 -7.985 15.043 -23.412 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.240 15.669 -21.128 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.665 14.883 -21.777 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.413 12.907 -23.190 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -7.891 12.607 -24.062 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.042 12.144 -22.350 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.323 14.283 -19.437 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.153 12.845 -20.472 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.706 13.643 -19.812 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.117 13.250 -24.526 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.310 13.202 -25.748 1.00 0.00 C ATOM 1352 C ASP B 684 -4.760 12.004 -26.592 1.00 0.00 C ATOM 1353 O ASP B 684 -4.968 10.921 -26.027 1.00 0.00 O ATOM 1354 CB ASP B 684 -2.814 13.056 -25.423 1.00 0.00 C ATOM 1355 CG ASP B 684 -1.988 12.984 -26.715 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -1.817 11.868 -27.260 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.522 14.051 -27.187 1.00 0.00 O ATOM 0 H ASP B 684 -5.310 12.320 -24.155 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.452 14.134 -26.295 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.483 13.901 -24.819 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.651 12.157 -24.829 1.00 0.00 H new ATOM 1362 N PRO B 685 -4.941 12.161 -27.920 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.377 11.106 -28.826 1.00 0.00 C ATOM 1364 C PRO B 685 -4.683 9.753 -28.653 1.00 0.00 C ATOM 1365 O PRO B 685 -5.372 8.742 -28.767 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.164 11.656 -30.237 1.00 0.00 C ATOM 1367 CG PRO B 685 -5.404 13.150 -30.052 1.00 0.00 C ATOM 1368 CD PRO B 685 -4.827 13.413 -28.660 1.00 0.00 C ATOM 0 HA PRO B 685 -6.419 10.873 -28.606 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -4.159 11.450 -30.605 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -5.861 11.219 -30.952 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -4.899 13.739 -30.818 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -6.464 13.400 -30.105 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.787 13.731 -28.725 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.374 14.211 -28.158 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.374 9.685 -28.369 1.00 0.00 N ATOM 1377 CA GLN B 686 -2.665 8.405 -28.296 1.00 0.00 C ATOM 1378 C GLN B 686 -3.319 7.523 -27.225 1.00 0.00 C ATOM 1379 O GLN B 686 -3.769 6.413 -27.507 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.172 8.637 -27.987 1.00 0.00 C ATOM 1381 CG GLN B 686 -0.344 7.339 -28.036 1.00 0.00 C ATOM 1382 CD GLN B 686 0.988 7.490 -27.300 1.00 0.00 C ATOM 1383 OE1 GLN B 686 1.097 7.132 -26.126 1.00 0.00 O ATOM 1384 NE2 GLN B 686 2.015 8.022 -27.943 1.00 0.00 N ATOM 0 H GLN B 686 -2.789 10.500 -28.187 1.00 0.00 H new ATOM 0 HA GLN B 686 -2.730 7.896 -29.258 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -0.764 9.350 -28.703 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.076 9.087 -26.999 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -0.916 6.525 -27.590 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -0.157 7.065 -29.074 1.00 0.00 H new ATOM 0 HE21 GLN B 686 1.912 8.314 -28.915 1.00 0.00 H new ATOM 0 HE22 GLN B 686 2.909 8.140 -27.467 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.402 8.028 -25.994 1.00 0.00 N ATOM 1394 CA VAL B 687 -3.896 7.242 -24.871 1.00 0.00 C ATOM 1395 C VAL B 687 -5.398 7.031 -25.015 1.00 0.00 C ATOM 1396 O VAL B 687 -5.932 5.963 -24.750 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.602 7.967 -23.560 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.884 7.006 -22.407 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.164 8.489 -23.507 1.00 0.00 C ATOM 0 H VAL B 687 -3.132 8.981 -25.752 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.394 6.274 -24.864 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.247 8.842 -23.481 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.680 7.505 -21.459 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.929 6.698 -22.437 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.244 6.128 -22.500 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -1.997 8.998 -22.558 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.470 7.653 -23.598 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.000 9.188 -24.327 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.091 8.074 -25.441 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.509 8.077 -25.680 1.00 0.00 C ATOM 1411 C PHE B 688 -7.895 7.077 -26.793 1.00 0.00 C ATOM 1412 O PHE B 688 -9.034 6.623 -26.808 1.00 0.00 O ATOM 1413 CB PHE B 688 -7.839 9.539 -25.930 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.309 9.859 -26.182 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.307 9.546 -25.234 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -9.685 10.444 -27.405 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.667 9.787 -25.520 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.038 10.700 -27.683 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.031 10.365 -26.748 1.00 0.00 C ATOM 0 H PHE B 688 -5.655 8.975 -25.635 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.111 7.714 -24.847 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.504 10.119 -25.070 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.261 9.880 -26.789 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.027 9.119 -24.282 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -8.930 10.698 -28.134 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.426 9.528 -24.797 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.316 11.157 -28.621 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.071 10.551 -26.972 1.00 0.00 H new ATOM 1429 N TYR B 689 -6.954 6.654 -27.650 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.133 5.575 -28.623 1.00 0.00 C ATOM 1431 C TYR B 689 -6.710 4.210 -28.047 1.00 0.00 C ATOM 1432 O TYR B 689 -7.278 3.181 -28.415 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.326 5.906 -29.887 1.00 0.00 C ATOM 1434 CG TYR B 689 -6.713 5.099 -31.110 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -7.729 5.579 -31.960 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.051 3.895 -31.412 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -8.099 4.844 -33.100 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -6.418 3.155 -32.548 1.00 0.00 C ATOM 1439 CZ TYR B 689 -7.446 3.623 -33.397 1.00 0.00 C ATOM 1440 OH TYR B 689 -7.819 2.911 -34.501 1.00 0.00 O ATOM 0 H TYR B 689 -6.022 7.067 -27.683 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.192 5.498 -28.870 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -6.448 6.965 -30.113 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -5.268 5.744 -29.680 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -8.224 6.512 -31.736 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.259 3.539 -30.769 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -8.881 5.210 -33.749 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -5.914 2.227 -32.773 1.00 0.00 H new ATOM 0 HH TYR B 689 -7.275 2.098 -34.565 1.00 0.00 H new ATOM 1450 N GLU B 690 -5.750 4.184 -27.115 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.364 3.022 -26.293 1.00 0.00 C ATOM 1452 C GLU B 690 -6.573 2.516 -25.479 1.00 0.00 C ATOM 1453 O GLU B 690 -6.679 1.340 -25.122 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.233 3.472 -25.347 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.156 2.411 -25.099 1.00 0.00 C ATOM 1456 CD GLU B 690 -1.956 2.957 -24.292 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -1.574 4.144 -24.444 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -1.324 2.165 -23.551 1.00 0.00 O ATOM 0 H GLU B 690 -5.192 5.010 -26.900 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.025 2.204 -26.928 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -3.760 4.362 -25.763 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.669 3.760 -24.390 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -3.597 1.570 -24.563 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -2.801 2.029 -26.056 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.479 3.449 -25.196 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.671 3.338 -24.376 1.00 0.00 C ATOM 1467 C LEU B 691 -9.748 2.435 -25.016 1.00 0.00 C ATOM 1468 O LEU B 691 -9.825 2.361 -26.245 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.179 4.791 -24.225 1.00 0.00 C ATOM 1470 CG LEU B 691 -9.658 5.227 -22.844 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -8.594 4.934 -21.781 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -9.984 6.714 -22.846 1.00 0.00 C ATOM 0 H LEU B 691 -7.382 4.391 -25.575 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.449 2.869 -23.417 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -8.376 5.462 -24.530 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -10.000 4.936 -24.927 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.558 4.661 -22.603 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -8.958 5.253 -20.804 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -8.387 3.864 -21.759 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -7.680 5.476 -22.022 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.325 7.013 -21.855 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.092 7.282 -23.110 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -10.769 6.913 -23.575 1.00 0.00 H new ATOM 1484 N PRO B 692 -10.649 1.823 -24.218 1.00 0.00 N ATOM 1485 CA PRO B 692 -11.829 1.111 -24.722 1.00 0.00 C ATOM 1486 C PRO B 692 -12.819 2.083 -25.358 1.00 0.00 C ATOM 1487 O PRO B 692 -12.847 3.256 -24.986 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.446 0.439 -23.490 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.039 1.381 -22.359 1.00 0.00 C ATOM 1490 CD PRO B 692 -10.625 1.767 -22.766 1.00 0.00 C ATOM 0 HA PRO B 692 -11.568 0.388 -25.495 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -13.529 0.352 -23.575 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.056 -0.568 -23.339 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -12.696 2.248 -22.293 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.064 0.888 -21.387 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.341 2.729 -22.339 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -9.899 1.035 -22.412 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.660 1.621 -26.283 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.602 2.496 -26.985 1.00 0.00 C ATOM 1500 C GLU B 693 -15.722 2.986 -26.069 1.00 0.00 C ATOM 1501 O GLU B 693 -16.051 4.170 -26.084 1.00 0.00 O ATOM 1502 CB GLU B 693 -15.129 1.801 -28.257 1.00 0.00 C ATOM 1503 CG GLU B 693 -15.933 0.513 -28.029 1.00 0.00 C ATOM 1504 CD GLU B 693 -16.299 -0.160 -29.367 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -17.351 0.192 -29.958 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -15.543 -1.051 -29.830 1.00 0.00 O ATOM 0 H GLU B 693 -13.709 0.642 -26.565 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.069 3.394 -27.299 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -15.756 2.507 -28.801 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -14.280 1.568 -28.900 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -15.352 -0.178 -27.418 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -16.842 0.742 -27.474 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.284 2.115 -25.227 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.490 2.441 -24.462 1.00 0.00 C ATOM 1515 C ALA B 694 -17.213 3.544 -23.436 1.00 0.00 C ATOM 1516 O ALA B 694 -17.998 4.479 -23.274 1.00 0.00 O ATOM 1517 CB ALA B 694 -18.004 1.164 -23.786 1.00 0.00 C ATOM 0 H ALA B 694 -15.922 1.177 -25.058 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.256 2.825 -25.136 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -18.902 1.392 -23.212 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -18.238 0.419 -24.546 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -17.237 0.772 -23.118 1.00 0.00 H new ATOM 1523 N VAL B 695 -16.050 3.474 -22.779 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.703 4.495 -21.791 1.00 0.00 C ATOM 1525 C VAL B 695 -15.344 5.791 -22.524 1.00 0.00 C ATOM 1526 O VAL B 695 -15.707 6.857 -22.039 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.638 4.007 -20.782 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.715 4.871 -19.512 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -14.843 2.547 -20.335 1.00 0.00 C ATOM 0 H VAL B 695 -15.352 2.742 -22.909 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.566 4.706 -21.160 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.678 4.084 -21.292 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.966 4.532 -18.796 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.526 5.913 -19.769 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.707 4.781 -19.070 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.061 2.270 -19.628 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.817 2.446 -19.857 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -14.796 1.890 -21.204 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.737 5.736 -23.720 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.543 6.951 -24.518 1.00 0.00 C ATOM 1541 C GLN B 696 -15.895 7.599 -24.816 1.00 0.00 C ATOM 1542 O GLN B 696 -16.012 8.807 -24.668 1.00 0.00 O ATOM 1543 CB GLN B 696 -13.846 6.671 -25.858 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.364 6.319 -25.785 1.00 0.00 C ATOM 1545 CD GLN B 696 -11.904 5.843 -27.169 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -11.918 6.594 -28.145 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.571 4.569 -27.315 1.00 0.00 N ATOM 0 H GLN B 696 -14.380 4.881 -24.147 1.00 0.00 H new ATOM 0 HA GLN B 696 -13.908 7.613 -23.928 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.369 5.852 -26.352 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -13.959 7.550 -26.493 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.784 7.187 -25.472 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.197 5.539 -25.042 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.560 3.949 -26.505 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.326 4.208 -28.237 1.00 0.00 H new ATOM 1556 N LYS B 697 -16.915 6.826 -25.210 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.261 7.371 -25.459 1.00 0.00 C ATOM 1558 C LYS B 697 -18.769 8.143 -24.237 1.00 0.00 C ATOM 1559 O LYS B 697 -19.306 9.235 -24.422 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.285 6.287 -25.866 1.00 0.00 C ATOM 1561 CG LYS B 697 -19.468 6.038 -27.377 1.00 0.00 C ATOM 1562 CD LYS B 697 -18.465 5.061 -28.016 1.00 0.00 C ATOM 1563 CE LYS B 697 -17.166 5.709 -28.525 1.00 0.00 C ATOM 1564 NZ LYS B 697 -17.334 6.331 -29.874 1.00 0.00 N ATOM 0 H LYS B 697 -16.836 5.821 -25.364 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.164 8.053 -26.304 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.989 5.347 -25.400 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -20.253 6.559 -25.447 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -20.476 5.658 -27.545 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -19.397 6.994 -27.896 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -18.209 4.295 -27.284 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -18.953 4.555 -28.849 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -16.839 6.469 -27.815 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -16.380 4.955 -28.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -16.433 6.755 -30.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -17.620 5.603 -30.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -18.065 7.069 -29.827 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.565 7.621 -23.017 1.00 0.00 N ATOM 1579 CA GLU B 698 -18.962 8.345 -21.797 1.00 0.00 C ATOM 1580 C GLU B 698 -18.294 9.710 -21.796 1.00 0.00 C ATOM 1581 O GLU B 698 -18.938 10.753 -21.676 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.540 7.649 -20.475 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.626 7.829 -19.403 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.611 6.648 -19.383 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.615 6.669 -20.134 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.369 5.706 -18.590 1.00 0.00 O ATOM 0 H GLU B 698 -18.133 6.712 -22.849 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.051 8.391 -21.824 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.370 6.587 -20.654 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.598 8.068 -20.121 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -19.157 7.928 -18.424 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.171 8.754 -19.590 1.00 0.00 H new ATOM 1593 N LEU B 699 -16.968 9.646 -21.934 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.045 10.744 -21.767 1.00 0.00 C ATOM 1595 C LEU B 699 -16.392 11.830 -22.760 1.00 0.00 C ATOM 1596 O LEU B 699 -16.794 12.896 -22.335 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.624 10.194 -21.977 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.905 9.661 -20.724 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.795 9.026 -19.648 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.852 8.653 -21.200 1.00 0.00 C ATOM 0 H LEU B 699 -16.496 8.776 -22.178 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.105 11.182 -20.771 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.674 9.389 -22.711 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.012 10.984 -22.412 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.475 10.526 -20.220 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.176 8.689 -18.816 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.514 9.762 -19.290 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.328 8.175 -20.072 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.318 8.251 -20.339 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.342 7.840 -21.735 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.146 9.151 -21.864 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.300 11.565 -24.059 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.497 12.568 -25.097 1.00 0.00 C ATOM 1614 C LEU B 700 -17.887 13.179 -25.047 1.00 0.00 C ATOM 1615 O LEU B 700 -18.005 14.389 -25.244 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.154 12.024 -26.494 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.013 10.829 -26.948 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.153 11.225 -27.890 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.143 9.779 -27.644 1.00 0.00 C ATOM 0 H LEU B 700 -16.084 10.637 -24.424 1.00 0.00 H new ATOM 0 HA LEU B 700 -15.794 13.376 -24.891 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.264 12.830 -27.220 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.106 11.726 -26.506 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.459 10.421 -26.041 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -18.718 10.336 -28.171 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -18.813 11.930 -27.386 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -17.740 11.691 -28.785 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -16.765 8.941 -27.959 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -15.665 10.223 -28.517 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.379 9.424 -26.953 1.00 0.00 H new ATOM 1631 N ALA B 701 -18.926 12.383 -24.773 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.287 12.885 -24.781 1.00 0.00 C ATOM 1633 C ALA B 701 -20.473 13.852 -23.620 1.00 0.00 C ATOM 1634 O ALA B 701 -20.896 14.981 -23.834 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.262 11.707 -24.718 1.00 0.00 C ATOM 0 H ALA B 701 -18.842 11.392 -24.545 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.491 13.432 -25.702 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.286 12.081 -24.724 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.107 11.060 -25.581 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.088 11.140 -23.804 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.093 13.453 -22.411 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.123 14.316 -21.245 1.00 0.00 C ATOM 1643 C GLU B 702 -19.217 15.524 -21.443 1.00 0.00 C ATOM 1644 O GLU B 702 -19.617 16.637 -21.102 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.633 13.535 -20.029 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.577 12.493 -19.447 1.00 0.00 C ATOM 1647 CD GLU B 702 -21.650 13.148 -18.557 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.696 13.612 -19.073 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -21.463 13.221 -17.323 1.00 0.00 O ATOM 0 H GLU B 702 -19.753 12.511 -22.215 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.147 14.659 -21.095 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.703 13.035 -20.301 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.392 14.250 -19.242 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -21.058 11.942 -20.255 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.008 11.769 -18.863 1.00 0.00 H new ATOM 1656 N TRP B 703 -18.009 15.322 -21.981 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.012 16.367 -22.082 1.00 0.00 C ATOM 1658 C TRP B 703 -17.579 17.498 -22.949 1.00 0.00 C ATOM 1659 O TRP B 703 -17.547 18.659 -22.541 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.683 15.849 -22.681 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.763 14.892 -21.938 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.728 14.598 -20.612 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.726 14.033 -22.521 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.773 13.629 -20.361 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.064 13.301 -21.487 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.286 13.793 -23.838 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.006 12.408 -21.735 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.284 12.843 -24.112 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.659 12.142 -23.067 1.00 0.00 C ATOM 0 H TRP B 703 -17.705 14.424 -22.356 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.786 16.730 -21.079 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -15.935 15.367 -23.626 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.087 16.729 -22.921 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.356 15.055 -19.861 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.615 13.208 -19.445 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -13.726 14.349 -24.653 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.474 11.939 -20.920 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -11.993 12.651 -25.134 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.910 11.397 -23.290 1.00 0.00 H new