USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=19 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 55 THR OG1 : rot 120:sc= 0.905 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.809 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.0812 (180deg=-0.083) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.962 (180deg=0.924) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 6 LYS NZ :NH3+ 149:sc= 1.23 (180deg=1.14) USER MOD Single : A 7 THR OG1 : rot -74:sc= -0.746 USER MOD Single : A 9 THR OG1 : rot -21:sc= 0.057 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.00737 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.03 (180deg=0.973) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.825 (180deg=0.812) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 41 GLN : amide:sc= 0.868 K(o=0.87,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0781 K(o=0.078,f=-1.6) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0863 USER MOD Single : A 60 ASN : amide:sc=-0.00547 X(o=-0.0055,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 56:sc= 0.987 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.128 K(o=-0.13,f=-1.4) USER MOD Single : B 686 GLN : amide:sc= 0.313 X(o=0.31,f=-0.027) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.25) USER MOD Single : B 697 LYS NZ :NH3+ -154:sc= 1.35 (180deg=0.596) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.328 -1.716 -3.106 1.00 0.00 N ATOM 2 CA MET A 1 4.629 -1.791 -4.574 1.00 0.00 C ATOM 3 C MET A 1 4.417 -0.439 -5.263 1.00 0.00 C ATOM 4 O MET A 1 3.882 0.470 -4.645 1.00 0.00 O ATOM 5 CB MET A 1 3.838 -2.899 -5.312 1.00 0.00 C ATOM 6 CG MET A 1 2.333 -2.709 -5.561 1.00 0.00 C ATOM 7 SD MET A 1 1.582 -4.212 -6.245 1.00 0.00 S ATOM 8 CE MET A 1 0.084 -3.616 -7.077 1.00 0.00 C ATOM 0 H1 MET A 1 4.383 -2.668 -2.691 1.00 0.00 H new ATOM 0 H2 MET A 1 5.021 -1.095 -2.641 1.00 0.00 H new ATOM 0 H3 MET A 1 3.371 -1.333 -2.967 1.00 0.00 H new ATOM 0 HA MET A 1 5.683 -2.060 -4.639 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.314 -3.051 -6.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.963 -3.823 -4.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.838 -2.446 -4.626 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.178 -1.877 -6.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.433 -4.456 -7.541 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.573 -3.143 -6.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.358 -2.891 -7.843 1.00 0.00 H new ATOM 20 N GLN A 2 4.713 -0.320 -6.565 1.00 0.00 N ATOM 21 CA GLN A 2 4.391 0.868 -7.354 1.00 0.00 C ATOM 22 C GLN A 2 3.678 0.462 -8.635 1.00 0.00 C ATOM 23 O GLN A 2 3.852 -0.667 -9.083 1.00 0.00 O ATOM 24 CB GLN A 2 5.678 1.676 -7.594 1.00 0.00 C ATOM 25 CG GLN A 2 6.589 1.147 -8.726 1.00 0.00 C ATOM 26 CD GLN A 2 7.947 1.865 -8.786 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.121 2.973 -8.284 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.947 1.246 -9.401 1.00 0.00 N ATOM 0 H GLN A 2 5.184 -1.050 -7.099 1.00 0.00 H new ATOM 0 HA GLN A 2 3.701 1.518 -6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.404 2.706 -7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.252 1.697 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.754 0.079 -8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.078 1.266 -9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.799 0.326 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.864 1.690 -9.458 1.00 0.00 H new ATOM 37 N ILE A 3 2.913 1.371 -9.230 1.00 0.00 N ATOM 38 CA ILE A 3 2.233 1.156 -10.522 1.00 0.00 C ATOM 39 C ILE A 3 2.291 2.434 -11.329 1.00 0.00 C ATOM 40 O ILE A 3 2.475 3.504 -10.758 1.00 0.00 O ATOM 41 CB ILE A 3 0.777 0.702 -10.311 1.00 0.00 C ATOM 42 CG1 ILE A 3 0.048 1.692 -9.379 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.751 -0.752 -9.794 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.459 1.715 -9.590 1.00 0.00 C ATOM 0 H ILE A 3 2.739 2.293 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 3 2.742 0.362 -11.068 1.00 0.00 H new ATOM 0 HB ILE A 3 0.238 0.709 -11.258 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.259 1.428 -8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.446 2.694 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.282 -1.067 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.230 -1.406 -10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.287 -0.811 -8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.912 2.431 -8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.678 2.008 -10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.868 0.723 -9.400 1.00 0.00 H new ATOM 56 N PHE A 4 2.093 2.324 -12.638 1.00 0.00 N ATOM 57 CA PHE A 4 2.296 3.399 -13.598 1.00 0.00 C ATOM 58 C PHE A 4 0.948 3.762 -14.198 1.00 0.00 C ATOM 59 O PHE A 4 0.455 3.094 -15.097 1.00 0.00 O ATOM 60 CB PHE A 4 3.294 2.973 -14.683 1.00 0.00 C ATOM 61 CG PHE A 4 4.460 2.147 -14.196 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.289 2.661 -13.189 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.704 0.867 -14.715 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.350 1.893 -12.684 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.814 0.136 -14.265 1.00 0.00 C ATOM 66 CZ PHE A 4 6.638 0.642 -13.250 1.00 0.00 C ATOM 0 H PHE A 4 1.777 1.457 -13.072 1.00 0.00 H new ATOM 0 HA PHE A 4 2.719 4.272 -13.101 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.759 2.404 -15.443 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.682 3.868 -15.169 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.110 3.653 -12.800 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.041 0.446 -15.457 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.943 2.264 -11.862 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.036 -0.825 -14.705 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.489 0.073 -12.906 1.00 0.00 H new ATOM 76 N VAL A 5 0.300 4.797 -13.705 1.00 0.00 N ATOM 77 CA VAL A 5 -0.996 5.206 -14.241 1.00 0.00 C ATOM 78 C VAL A 5 -0.698 6.145 -15.402 1.00 0.00 C ATOM 79 O VAL A 5 -0.310 7.289 -15.193 1.00 0.00 O ATOM 80 CB VAL A 5 -1.890 5.779 -13.135 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.276 6.143 -13.674 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.057 4.752 -12.010 1.00 0.00 C ATOM 0 H VAL A 5 0.642 5.373 -12.936 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.583 4.371 -14.624 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.408 6.680 -12.756 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.886 6.546 -12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.176 6.891 -14.461 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.754 5.251 -14.079 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.694 5.168 -11.229 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.516 3.847 -12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.080 4.509 -11.591 1.00 0.00 H new ATOM 92 N LYS A 6 -0.817 5.661 -16.636 1.00 0.00 N ATOM 93 CA LYS A 6 -0.761 6.524 -17.802 1.00 0.00 C ATOM 94 C LYS A 6 -1.987 7.402 -17.764 1.00 0.00 C ATOM 95 O LYS A 6 -3.097 6.894 -17.637 1.00 0.00 O ATOM 96 CB LYS A 6 -0.728 5.691 -19.085 1.00 0.00 C ATOM 97 CG LYS A 6 -0.196 6.554 -20.242 1.00 0.00 C ATOM 98 CD LYS A 6 -0.507 5.894 -21.590 1.00 0.00 C ATOM 99 CE LYS A 6 0.550 6.285 -22.644 1.00 0.00 C ATOM 100 NZ LYS A 6 0.677 5.256 -23.715 1.00 0.00 N ATOM 0 H LYS A 6 -0.953 4.673 -16.849 1.00 0.00 H new ATOM 0 HA LYS A 6 0.144 7.131 -17.791 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.092 4.816 -18.947 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.728 5.325 -19.320 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.648 7.545 -20.202 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.880 6.691 -20.137 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.529 4.810 -21.474 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.497 6.198 -21.930 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.280 7.242 -23.091 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.515 6.422 -22.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.943 5.716 -24.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.409 4.567 -23.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.232 4.766 -23.835 1.00 0.00 H new ATOM 114 N THR A 7 -1.826 8.701 -17.872 1.00 0.00 N ATOM 115 CA THR A 7 -2.964 9.548 -18.059 1.00 0.00 C ATOM 116 C THR A 7 -3.345 9.581 -19.510 1.00 0.00 C ATOM 117 O THR A 7 -2.540 9.283 -20.394 1.00 0.00 O ATOM 118 CB THR A 7 -2.710 10.924 -17.519 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.587 11.435 -18.202 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.450 10.929 -16.028 1.00 0.00 C ATOM 0 H THR A 7 -0.927 9.182 -17.833 1.00 0.00 H new ATOM 0 HA THR A 7 -3.803 9.138 -17.497 1.00 0.00 H new ATOM 0 HB THR A 7 -3.598 11.537 -17.675 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.776 10.996 -17.872 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.273 11.951 -15.693 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.316 10.521 -15.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.574 10.319 -15.809 1.00 0.00 H new ATOM 128 N LEU A 8 -4.567 10.039 -19.751 1.00 0.00 N ATOM 129 CA LEU A 8 -4.987 10.252 -21.124 1.00 0.00 C ATOM 130 C LEU A 8 -4.109 11.278 -21.841 1.00 0.00 C ATOM 131 O LEU A 8 -4.128 11.240 -23.062 1.00 0.00 O ATOM 132 CB LEU A 8 -6.473 10.588 -21.273 1.00 0.00 C ATOM 133 CG LEU A 8 -7.488 9.486 -20.924 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.845 9.749 -21.574 1.00 0.00 C ATOM 135 CD2 LEU A 8 -7.015 8.085 -21.335 1.00 0.00 C ATOM 0 H LEU A 8 -5.262 10.263 -19.039 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.848 9.289 -21.615 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.687 11.453 -20.646 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.648 10.892 -22.305 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.582 9.515 -19.838 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.537 8.951 -21.306 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.238 10.703 -21.223 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.729 9.781 -22.657 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.773 7.351 -21.063 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.853 8.057 -22.413 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.082 7.851 -20.822 1.00 0.00 H new ATOM 147 N THR A 9 -3.322 12.143 -21.179 1.00 0.00 N ATOM 148 CA THR A 9 -2.477 13.105 -21.890 1.00 0.00 C ATOM 149 C THR A 9 -1.243 12.398 -22.471 1.00 0.00 C ATOM 150 O THR A 9 -0.535 12.950 -23.316 1.00 0.00 O ATOM 151 CB THR A 9 -2.102 14.325 -21.022 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.376 15.304 -21.733 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.360 14.034 -19.720 1.00 0.00 C ATOM 0 H THR A 9 -3.256 12.193 -20.162 1.00 0.00 H new ATOM 0 HA THR A 9 -3.058 13.509 -22.719 1.00 0.00 H new ATOM 0 HB THR A 9 -3.088 14.699 -20.744 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.966 14.897 -22.525 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.154 14.970 -19.202 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.975 13.396 -19.085 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.421 13.528 -19.942 1.00 0.00 H new ATOM 161 N GLY A 10 -0.961 11.172 -22.012 1.00 0.00 N ATOM 162 CA GLY A 10 0.282 10.501 -22.321 1.00 0.00 C ATOM 163 C GLY A 10 1.349 10.813 -21.284 1.00 0.00 C ATOM 164 O GLY A 10 2.516 10.928 -21.651 1.00 0.00 O ATOM 0 H GLY A 10 -1.592 10.631 -21.421 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.116 9.425 -22.363 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.629 10.809 -23.307 1.00 0.00 H new ATOM 168 N LYS A 11 0.977 10.961 -19.998 1.00 0.00 N ATOM 169 CA LYS A 11 1.972 11.099 -18.933 1.00 0.00 C ATOM 170 C LYS A 11 1.784 9.933 -18.007 1.00 0.00 C ATOM 171 O LYS A 11 0.697 9.769 -17.468 1.00 0.00 O ATOM 172 CB LYS A 11 1.802 12.445 -18.213 1.00 0.00 C ATOM 173 CG LYS A 11 2.766 12.596 -17.020 1.00 0.00 C ATOM 174 CD LYS A 11 2.177 12.234 -15.644 1.00 0.00 C ATOM 175 CE LYS A 11 1.064 13.175 -15.160 1.00 0.00 C ATOM 176 NZ LYS A 11 1.555 14.492 -14.667 1.00 0.00 N ATOM 0 H LYS A 11 0.008 10.987 -19.681 1.00 0.00 H new ATOM 0 HA LYS A 11 2.987 11.093 -19.330 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.973 13.257 -18.920 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.775 12.539 -17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.639 11.969 -17.199 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.116 13.628 -16.986 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.783 11.218 -15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.981 12.233 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.363 13.343 -15.978 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.509 12.684 -14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.747 15.070 -14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.201 14.344 -13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.060 14.983 -15.432 1.00 0.00 H new ATOM 190 N THR A 12 2.807 9.143 -17.768 1.00 0.00 N ATOM 191 CA THR A 12 2.707 8.061 -16.811 1.00 0.00 C ATOM 192 C THR A 12 3.092 8.596 -15.441 1.00 0.00 C ATOM 193 O THR A 12 4.222 9.038 -15.231 1.00 0.00 O ATOM 194 CB THR A 12 3.531 6.852 -17.282 1.00 0.00 C ATOM 195 OG1 THR A 12 3.784 6.893 -18.681 1.00 0.00 O ATOM 196 CG2 THR A 12 2.706 5.602 -16.996 1.00 0.00 C ATOM 0 H THR A 12 3.717 9.228 -18.222 1.00 0.00 H new ATOM 0 HA THR A 12 1.685 7.689 -16.732 1.00 0.00 H new ATOM 0 HB THR A 12 4.488 6.857 -16.761 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.311 6.109 -18.941 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.259 4.720 -17.318 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.506 5.535 -15.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.763 5.657 -17.539 1.00 0.00 H new ATOM 204 N ILE A 13 2.125 8.575 -14.516 1.00 0.00 N ATOM 205 CA ILE A 13 2.349 8.898 -13.121 1.00 0.00 C ATOM 206 C ILE A 13 2.520 7.587 -12.386 1.00 0.00 C ATOM 207 O ILE A 13 1.591 6.793 -12.297 1.00 0.00 O ATOM 208 CB ILE A 13 1.263 9.841 -12.549 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.088 9.759 -11.008 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.112 9.829 -13.227 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.212 9.127 -10.483 1.00 0.00 C ATOM 0 H ILE A 13 1.158 8.329 -14.728 1.00 0.00 H new ATOM 0 HA ILE A 13 3.258 9.485 -12.990 1.00 0.00 H new ATOM 0 HB ILE A 13 1.705 10.803 -12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.927 9.194 -10.602 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.160 10.769 -10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.772 10.536 -12.724 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.004 10.115 -14.273 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.539 8.828 -13.166 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.205 9.133 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.066 9.700 -10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.287 8.100 -10.840 1.00 0.00 H new ATOM 223 N THR A 14 3.710 7.372 -11.854 1.00 0.00 N ATOM 224 CA THR A 14 3.976 6.244 -10.995 1.00 0.00 C ATOM 225 C THR A 14 3.444 6.597 -9.609 1.00 0.00 C ATOM 226 O THR A 14 3.555 7.746 -9.174 1.00 0.00 O ATOM 227 CB THR A 14 5.479 5.957 -10.970 1.00 0.00 C ATOM 228 OG1 THR A 14 5.975 5.940 -12.297 1.00 0.00 O ATOM 229 CG2 THR A 14 5.794 4.609 -10.289 1.00 0.00 C ATOM 0 H THR A 14 4.516 7.978 -12.009 1.00 0.00 H new ATOM 0 HA THR A 14 3.484 5.340 -11.355 1.00 0.00 H new ATOM 0 HB THR A 14 5.962 6.745 -10.393 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.938 5.758 -12.284 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.871 4.443 -10.292 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.432 4.627 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.301 3.803 -10.832 1.00 0.00 H new ATOM 237 N LEU A 15 2.882 5.619 -8.903 1.00 0.00 N ATOM 238 CA LEU A 15 2.466 5.805 -7.523 1.00 0.00 C ATOM 239 C LEU A 15 2.674 4.533 -6.751 1.00 0.00 C ATOM 240 O LEU A 15 2.699 3.466 -7.354 1.00 0.00 O ATOM 241 CB LEU A 15 1.002 6.254 -7.451 1.00 0.00 C ATOM 242 CG LEU A 15 -0.064 5.252 -7.915 1.00 0.00 C ATOM 243 CD1 LEU A 15 -1.326 5.401 -7.077 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.455 5.487 -9.353 1.00 0.00 C ATOM 0 H LEU A 15 2.705 4.684 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 15 3.076 6.590 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.783 6.526 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.897 7.160 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 15 0.368 4.257 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.075 4.685 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.091 5.212 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.717 6.413 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.211 4.760 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.858 6.494 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.422 5.377 -9.991 1.00 0.00 H new ATOM 256 N GLU A 16 2.755 4.645 -5.433 1.00 0.00 N ATOM 257 CA GLU A 16 2.986 3.512 -4.562 1.00 0.00 C ATOM 258 C GLU A 16 1.661 3.102 -3.946 1.00 0.00 C ATOM 259 O GLU A 16 0.881 3.925 -3.464 1.00 0.00 O ATOM 260 CB GLU A 16 4.055 3.826 -3.505 1.00 0.00 C ATOM 261 CG GLU A 16 5.448 3.714 -4.133 1.00 0.00 C ATOM 262 CD GLU A 16 6.558 3.973 -3.099 1.00 0.00 C ATOM 263 OE1 GLU A 16 6.960 5.145 -2.905 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.042 2.997 -2.474 1.00 0.00 O ATOM 0 H GLU A 16 2.661 5.532 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 16 3.379 2.674 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.904 4.830 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.966 3.135 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.575 2.720 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.538 4.429 -4.951 1.00 0.00 H new ATOM 271 N VAL A 17 1.415 1.804 -4.030 1.00 0.00 N ATOM 272 CA VAL A 17 0.161 1.123 -3.729 1.00 0.00 C ATOM 273 C VAL A 17 0.490 -0.262 -3.151 1.00 0.00 C ATOM 274 O VAL A 17 1.654 -0.614 -2.960 1.00 0.00 O ATOM 275 CB VAL A 17 -0.682 1.007 -5.022 1.00 0.00 C ATOM 276 CG1 VAL A 17 -0.991 2.362 -5.661 1.00 0.00 C ATOM 277 CG2 VAL A 17 0.014 0.125 -6.072 1.00 0.00 C ATOM 0 H VAL A 17 2.137 1.150 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.421 1.683 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.621 0.550 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.584 2.212 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.551 2.977 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.058 2.864 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.606 0.066 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.980 0.559 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.162 -0.876 -5.666 1.00 0.00 H new ATOM 287 N GLU A 18 -0.530 -1.098 -2.999 1.00 0.00 N ATOM 288 CA GLU A 18 -0.433 -2.521 -2.685 1.00 0.00 C ATOM 289 C GLU A 18 -1.403 -3.200 -3.649 1.00 0.00 C ATOM 290 O GLU A 18 -2.327 -2.529 -4.107 1.00 0.00 O ATOM 291 CB GLU A 18 -0.852 -2.794 -1.227 1.00 0.00 C ATOM 292 CG GLU A 18 -0.049 -2.019 -0.176 1.00 0.00 C ATOM 293 CD GLU A 18 1.478 -2.248 -0.221 1.00 0.00 C ATOM 294 OE1 GLU A 18 1.955 -3.269 -0.774 1.00 0.00 O ATOM 295 OE2 GLU A 18 2.223 -1.403 0.335 1.00 0.00 O ATOM 0 H GLU A 18 -1.497 -0.787 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 18 0.587 -2.890 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.907 -2.547 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.752 -3.861 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.245 -0.954 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.413 -2.295 0.814 1.00 0.00 H new ATOM 302 N PRO A 19 -1.276 -4.504 -3.950 1.00 0.00 N ATOM 303 CA PRO A 19 -2.277 -5.197 -4.751 1.00 0.00 C ATOM 304 C PRO A 19 -3.685 -5.025 -4.163 1.00 0.00 C ATOM 305 O PRO A 19 -4.640 -4.804 -4.898 1.00 0.00 O ATOM 306 CB PRO A 19 -1.832 -6.662 -4.822 1.00 0.00 C ATOM 307 CG PRO A 19 -0.352 -6.642 -4.440 1.00 0.00 C ATOM 308 CD PRO A 19 -0.194 -5.395 -3.571 1.00 0.00 C ATOM 0 HA PRO A 19 -2.345 -4.780 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.409 -7.284 -4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.977 -7.071 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.071 -7.543 -3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.285 -6.593 -5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.249 -5.648 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.775 -4.924 -3.736 1.00 0.00 H new ATOM 316 N SER A 20 -3.821 -5.007 -2.838 1.00 0.00 N ATOM 317 CA SER A 20 -5.110 -4.943 -2.163 1.00 0.00 C ATOM 318 C SER A 20 -5.481 -3.496 -1.882 1.00 0.00 C ATOM 319 O SER A 20 -6.435 -3.240 -1.145 1.00 0.00 O ATOM 320 CB SER A 20 -5.069 -5.795 -0.889 1.00 0.00 C ATOM 321 OG SER A 20 -4.568 -7.099 -1.171 1.00 0.00 O ATOM 0 H SER A 20 -3.027 -5.037 -2.198 1.00 0.00 H new ATOM 0 HA SER A 20 -5.888 -5.354 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.439 -5.312 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.069 -5.869 -0.462 1.00 0.00 H new ATOM 0 HG SER A 20 -4.548 -7.627 -0.346 1.00 0.00 H new ATOM 327 N ASP A 21 -4.740 -2.541 -2.450 1.00 0.00 N ATOM 328 CA ASP A 21 -5.165 -1.170 -2.399 1.00 0.00 C ATOM 329 C ASP A 21 -6.377 -1.026 -3.312 1.00 0.00 C ATOM 330 O ASP A 21 -6.410 -1.592 -4.418 1.00 0.00 O ATOM 331 CB ASP A 21 -4.054 -0.205 -2.808 1.00 0.00 C ATOM 332 CG ASP A 21 -4.343 1.232 -2.356 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.201 1.428 -1.465 1.00 0.00 O ATOM 334 OD2 ASP A 21 -3.648 2.155 -2.834 1.00 0.00 O ATOM 0 H ASP A 21 -3.860 -2.703 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.425 -0.910 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.109 -0.537 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.936 -0.227 -3.891 1.00 0.00 H new ATOM 339 N THR A 22 -7.395 -0.328 -2.828 1.00 0.00 N ATOM 340 CA THR A 22 -8.629 -0.142 -3.561 1.00 0.00 C ATOM 341 C THR A 22 -8.449 0.906 -4.638 1.00 0.00 C ATOM 342 O THR A 22 -7.732 1.896 -4.475 1.00 0.00 O ATOM 343 CB THR A 22 -9.824 0.243 -2.681 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.440 1.208 -1.712 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.415 -0.982 -1.997 1.00 0.00 C ATOM 0 H THR A 22 -7.383 0.124 -1.914 1.00 0.00 H new ATOM 0 HA THR A 22 -8.858 -1.113 -4.000 1.00 0.00 H new ATOM 0 HB THR A 22 -10.588 0.678 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.215 1.444 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.261 -0.681 -1.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.752 -1.693 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.656 -1.450 -1.370 1.00 0.00 H new ATOM 353 N ILE A 23 -9.195 0.721 -5.720 1.00 0.00 N ATOM 354 CA ILE A 23 -9.332 1.713 -6.774 1.00 0.00 C ATOM 355 C ILE A 23 -9.688 3.089 -6.206 1.00 0.00 C ATOM 356 O ILE A 23 -9.092 4.061 -6.650 1.00 0.00 O ATOM 357 CB ILE A 23 -10.381 1.241 -7.789 1.00 0.00 C ATOM 358 CG1 ILE A 23 -10.086 -0.144 -8.392 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.577 2.253 -8.931 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.621 -0.544 -8.561 1.00 0.00 C ATOM 0 H ILE A 23 -9.727 -0.132 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.373 1.819 -7.281 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.300 1.160 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.569 -0.893 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.563 -0.193 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.328 1.877 -9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.908 3.206 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.634 2.394 -9.459 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.564 -1.542 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.123 0.168 -9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.129 -0.544 -7.588 1.00 0.00 H new ATOM 372 N GLU A 24 -10.593 3.207 -5.229 1.00 0.00 N ATOM 373 CA GLU A 24 -10.954 4.517 -4.675 1.00 0.00 C ATOM 374 C GLU A 24 -9.724 5.225 -4.109 1.00 0.00 C ATOM 375 O GLU A 24 -9.486 6.403 -4.385 1.00 0.00 O ATOM 376 CB GLU A 24 -12.026 4.342 -3.589 1.00 0.00 C ATOM 377 CG GLU A 24 -12.619 5.685 -3.149 1.00 0.00 C ATOM 378 CD GLU A 24 -13.745 5.488 -2.122 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.449 5.368 -0.908 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.933 5.465 -2.521 1.00 0.00 O ATOM 0 H GLU A 24 -11.085 2.419 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.358 5.138 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.822 3.700 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.590 3.838 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.835 6.307 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.006 6.217 -4.018 1.00 0.00 H new ATOM 387 N ASN A 25 -8.913 4.489 -3.350 1.00 0.00 N ATOM 388 CA ASN A 25 -7.744 5.065 -2.696 1.00 0.00 C ATOM 389 C ASN A 25 -6.642 5.348 -3.712 1.00 0.00 C ATOM 390 O ASN A 25 -5.963 6.365 -3.628 1.00 0.00 O ATOM 391 CB ASN A 25 -7.253 4.127 -1.593 1.00 0.00 C ATOM 392 CG ASN A 25 -6.127 4.757 -0.776 1.00 0.00 C ATOM 393 OD1 ASN A 25 -6.164 5.935 -0.433 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.122 3.979 -0.421 1.00 0.00 N ATOM 0 H ASN A 25 -9.046 3.493 -3.174 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.023 6.016 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.083 3.874 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.903 3.195 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.362 4.355 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.105 3.002 -0.714 1.00 0.00 H new ATOM 401 N VAL A 26 -6.514 4.506 -4.736 1.00 0.00 N ATOM 402 CA VAL A 26 -5.628 4.722 -5.865 1.00 0.00 C ATOM 403 C VAL A 26 -6.036 6.014 -6.574 1.00 0.00 C ATOM 404 O VAL A 26 -5.197 6.898 -6.723 1.00 0.00 O ATOM 405 CB VAL A 26 -5.706 3.461 -6.740 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.134 3.665 -8.142 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.000 2.274 -6.072 1.00 0.00 C ATOM 0 H VAL A 26 -7.040 3.634 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.586 4.862 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.769 3.244 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.219 2.738 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.689 4.453 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.085 3.950 -8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.073 1.398 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.950 2.519 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.474 2.061 -5.114 1.00 0.00 H new ATOM 417 N LYS A 27 -7.309 6.195 -6.953 1.00 0.00 N ATOM 418 CA LYS A 27 -7.772 7.448 -7.559 1.00 0.00 C ATOM 419 C LYS A 27 -7.471 8.639 -6.650 1.00 0.00 C ATOM 420 O LYS A 27 -7.148 9.705 -7.167 1.00 0.00 O ATOM 421 CB LYS A 27 -9.295 7.439 -7.818 1.00 0.00 C ATOM 422 CG LYS A 27 -9.883 6.500 -8.887 1.00 0.00 C ATOM 423 CD LYS A 27 -11.374 6.865 -9.044 1.00 0.00 C ATOM 424 CE LYS A 27 -12.250 5.827 -9.742 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.675 6.289 -9.761 1.00 0.00 N ATOM 0 H LYS A 27 -8.036 5.487 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.239 7.539 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.784 7.203 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.586 8.456 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.356 6.617 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.771 5.458 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.788 7.052 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.442 7.800 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.897 5.667 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.176 4.870 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.272 5.555 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.995 6.468 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.749 7.165 -10.316 1.00 0.00 H new ATOM 439 N ALA A 28 -7.548 8.501 -5.324 1.00 0.00 N ATOM 440 CA ALA A 28 -7.212 9.597 -4.418 1.00 0.00 C ATOM 441 C ALA A 28 -5.718 9.923 -4.479 1.00 0.00 C ATOM 442 O ALA A 28 -5.344 11.090 -4.428 1.00 0.00 O ATOM 443 CB ALA A 28 -7.626 9.266 -2.984 1.00 0.00 C ATOM 0 H ALA A 28 -7.840 7.642 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.767 10.477 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.365 10.097 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.702 9.098 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.106 8.367 -2.654 1.00 0.00 H new ATOM 449 N LYS A 29 -4.848 8.933 -4.679 1.00 0.00 N ATOM 450 CA LYS A 29 -3.430 9.204 -4.935 1.00 0.00 C ATOM 451 C LYS A 29 -3.274 9.903 -6.282 1.00 0.00 C ATOM 452 O LYS A 29 -2.430 10.776 -6.431 1.00 0.00 O ATOM 453 CB LYS A 29 -2.617 7.910 -4.884 1.00 0.00 C ATOM 454 CG LYS A 29 -2.585 7.357 -3.456 1.00 0.00 C ATOM 455 CD LYS A 29 -1.993 5.941 -3.426 1.00 0.00 C ATOM 456 CE LYS A 29 -1.911 5.425 -1.982 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.525 5.474 -1.435 1.00 0.00 N ATOM 0 H LYS A 29 -5.095 7.944 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.046 9.864 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.053 7.172 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.601 8.097 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.993 8.016 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.595 7.341 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.609 5.270 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.999 5.946 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.569 6.021 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.276 4.399 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.512 5.053 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.113 4.940 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.208 6.463 -1.380 1.00 0.00 H new ATOM 471 N ILE A 30 -4.122 9.593 -7.265 1.00 0.00 N ATOM 472 CA ILE A 30 -4.108 10.333 -8.528 1.00 0.00 C ATOM 473 C ILE A 30 -4.540 11.771 -8.291 1.00 0.00 C ATOM 474 O ILE A 30 -3.947 12.652 -8.859 1.00 0.00 O ATOM 475 CB ILE A 30 -4.967 9.679 -9.622 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.769 8.168 -9.796 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.697 10.377 -10.959 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.335 7.679 -9.752 1.00 0.00 C ATOM 0 H ILE A 30 -4.816 8.847 -7.213 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.083 10.315 -8.897 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.999 9.803 -9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.331 7.655 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.205 7.872 -10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.304 9.917 -11.739 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.953 11.433 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.642 10.278 -11.215 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.315 6.597 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.764 8.154 -10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.893 7.934 -8.789 1.00 0.00 H new ATOM 490 N GLN A 31 -5.513 12.048 -7.440 1.00 0.00 N ATOM 491 CA GLN A 31 -5.887 13.403 -7.038 1.00 0.00 C ATOM 492 C GLN A 31 -4.675 14.107 -6.437 1.00 0.00 C ATOM 493 O GLN A 31 -4.458 15.283 -6.709 1.00 0.00 O ATOM 494 CB GLN A 31 -7.053 13.385 -6.040 1.00 0.00 C ATOM 495 CG GLN A 31 -7.649 14.776 -5.723 1.00 0.00 C ATOM 496 CD GLN A 31 -7.976 14.913 -4.234 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.141 15.335 -3.439 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.180 14.548 -3.816 1.00 0.00 N ATOM 0 H GLN A 31 -6.080 11.325 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.220 13.950 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.843 12.747 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.712 12.930 -5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.942 15.552 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.553 14.930 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.867 14.199 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.419 14.617 -2.827 1.00 0.00 H new ATOM 507 N ASP A 32 -3.855 13.393 -5.669 1.00 0.00 N ATOM 508 CA ASP A 32 -2.647 13.971 -5.091 1.00 0.00 C ATOM 509 C ASP A 32 -1.630 14.329 -6.182 1.00 0.00 C ATOM 510 O ASP A 32 -0.894 15.309 -6.031 1.00 0.00 O ATOM 511 CB ASP A 32 -2.035 13.026 -4.055 1.00 0.00 C ATOM 512 CG ASP A 32 -0.800 13.664 -3.395 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.968 14.605 -2.582 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.337 13.197 -3.654 1.00 0.00 O ATOM 0 H ASP A 32 -4.007 12.412 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.925 14.894 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.776 12.785 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.753 12.088 -4.533 1.00 0.00 H new ATOM 519 N LYS A 33 -1.609 13.584 -7.303 1.00 0.00 N ATOM 520 CA LYS A 33 -0.612 13.773 -8.349 1.00 0.00 C ATOM 521 C LYS A 33 -1.081 14.682 -9.485 1.00 0.00 C ATOM 522 O LYS A 33 -0.294 15.449 -10.040 1.00 0.00 O ATOM 523 CB LYS A 33 -0.272 12.390 -8.896 1.00 0.00 C ATOM 524 CG LYS A 33 0.397 11.485 -7.844 1.00 0.00 C ATOM 525 CD LYS A 33 1.921 11.689 -7.786 1.00 0.00 C ATOM 526 CE LYS A 33 2.584 10.515 -7.053 1.00 0.00 C ATOM 527 NZ LYS A 33 4.046 10.734 -6.850 1.00 0.00 N ATOM 0 H LYS A 33 -2.281 12.842 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 33 0.255 14.271 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.183 11.911 -9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.392 12.496 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.033 11.691 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.180 10.442 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.323 11.771 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.151 12.624 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.101 10.373 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.431 9.599 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.453 9.917 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.512 10.844 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.193 11.594 -6.284 1.00 0.00 H new ATOM 541 N GLU A 34 -2.371 14.622 -9.788 1.00 0.00 N ATOM 542 CA GLU A 34 -3.011 15.197 -10.961 1.00 0.00 C ATOM 543 C GLU A 34 -4.015 16.297 -10.605 1.00 0.00 C ATOM 544 O GLU A 34 -4.165 17.259 -11.355 1.00 0.00 O ATOM 545 CB GLU A 34 -3.734 14.057 -11.705 1.00 0.00 C ATOM 546 CG GLU A 34 -2.780 12.962 -12.210 1.00 0.00 C ATOM 547 CD GLU A 34 -1.539 13.531 -12.919 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.680 14.251 -13.935 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.414 13.252 -12.450 1.00 0.00 O ATOM 0 H GLU A 34 -3.038 14.141 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.246 15.662 -11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.472 13.608 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.280 14.473 -12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.462 12.348 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.317 12.308 -12.897 1.00 0.00 H new ATOM 556 N GLY A 35 -4.703 16.154 -9.469 1.00 0.00 N ATOM 557 CA GLY A 35 -5.601 17.163 -8.913 1.00 0.00 C ATOM 558 C GLY A 35 -7.075 16.839 -9.134 1.00 0.00 C ATOM 559 O GLY A 35 -7.926 17.703 -8.927 1.00 0.00 O ATOM 0 H GLY A 35 -4.648 15.311 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.413 17.259 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.376 18.129 -9.364 1.00 0.00 H new ATOM 563 N ILE A 36 -7.398 15.608 -9.562 1.00 0.00 N ATOM 564 CA ILE A 36 -8.740 15.260 -10.013 1.00 0.00 C ATOM 565 C ILE A 36 -9.421 14.455 -8.913 1.00 0.00 C ATOM 566 O ILE A 36 -8.877 13.420 -8.541 1.00 0.00 O ATOM 567 CB ILE A 36 -8.619 14.435 -11.302 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.839 15.223 -12.377 1.00 0.00 C ATOM 569 CG2 ILE A 36 -10.020 14.084 -11.831 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.529 14.348 -13.580 1.00 0.00 C ATOM 0 H ILE A 36 -6.734 14.835 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.334 16.150 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.076 13.517 -11.077 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.422 16.088 -12.693 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.910 15.603 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.927 13.499 -12.746 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.557 13.503 -11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.570 15.001 -12.041 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.979 14.929 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.925 13.497 -13.265 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.460 13.989 -14.019 1.00 0.00 H new ATOM 582 N PRO A 37 -10.607 14.844 -8.425 1.00 0.00 N ATOM 583 CA PRO A 37 -11.306 14.111 -7.378 1.00 0.00 C ATOM 584 C PRO A 37 -11.766 12.739 -7.871 1.00 0.00 C ATOM 585 O PRO A 37 -12.075 12.594 -9.050 1.00 0.00 O ATOM 586 CB PRO A 37 -12.480 14.997 -6.948 1.00 0.00 C ATOM 587 CG PRO A 37 -12.605 16.095 -8.004 1.00 0.00 C ATOM 588 CD PRO A 37 -11.382 15.970 -8.911 1.00 0.00 C ATOM 0 HA PRO A 37 -10.652 13.906 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.400 14.416 -6.881 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.302 15.426 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.525 15.979 -8.576 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.642 17.079 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.684 15.812 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.790 16.885 -8.888 1.00 0.00 H new ATOM 596 N PRO A 38 -11.854 11.719 -6.999 1.00 0.00 N ATOM 597 CA PRO A 38 -12.075 10.350 -7.444 1.00 0.00 C ATOM 598 C PRO A 38 -13.414 10.123 -8.109 1.00 0.00 C ATOM 599 O PRO A 38 -13.480 9.341 -9.051 1.00 0.00 O ATOM 600 CB PRO A 38 -11.956 9.474 -6.204 1.00 0.00 C ATOM 601 CG PRO A 38 -12.183 10.428 -5.031 1.00 0.00 C ATOM 602 CD PRO A 38 -11.639 11.755 -5.557 1.00 0.00 C ATOM 0 HA PRO A 38 -11.337 10.108 -8.209 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.696 8.674 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.976 9.001 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.238 10.500 -4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.653 10.101 -4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.158 12.599 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.581 11.867 -5.320 1.00 0.00 H new ATOM 610 N ASP A 39 -14.467 10.808 -7.666 1.00 0.00 N ATOM 611 CA ASP A 39 -15.783 10.599 -8.269 1.00 0.00 C ATOM 612 C ASP A 39 -15.830 11.213 -9.668 1.00 0.00 C ATOM 613 O ASP A 39 -16.614 10.793 -10.513 1.00 0.00 O ATOM 614 CB ASP A 39 -16.911 11.144 -7.381 1.00 0.00 C ATOM 615 CG ASP A 39 -17.225 12.628 -7.652 1.00 0.00 C ATOM 616 OD1 ASP A 39 -16.399 13.492 -7.276 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.295 12.923 -8.238 1.00 0.00 O ATOM 0 H ASP A 39 -14.439 11.495 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.944 9.525 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.812 10.552 -7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.633 11.022 -6.334 1.00 0.00 H new ATOM 622 N GLN A 40 -14.928 12.157 -9.939 1.00 0.00 N ATOM 623 CA GLN A 40 -14.806 12.842 -11.219 1.00 0.00 C ATOM 624 C GLN A 40 -13.826 12.113 -12.145 1.00 0.00 C ATOM 625 O GLN A 40 -13.681 12.480 -13.308 1.00 0.00 O ATOM 626 CB GLN A 40 -14.412 14.297 -10.890 1.00 0.00 C ATOM 627 CG GLN A 40 -14.125 15.201 -12.094 1.00 0.00 C ATOM 628 CD GLN A 40 -14.292 16.685 -11.752 1.00 0.00 C ATOM 629 OE1 GLN A 40 -13.321 17.393 -11.491 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.518 17.184 -11.752 1.00 0.00 N ATOM 0 H GLN A 40 -14.244 12.473 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.740 12.845 -11.781 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.214 14.747 -10.305 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.526 14.278 -10.255 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.109 15.023 -12.447 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.797 14.940 -12.912 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.313 16.584 -11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.668 18.169 -11.533 1.00 0.00 H new ATOM 639 N GLN A 41 -13.183 11.045 -11.680 1.00 0.00 N ATOM 640 CA GLN A 41 -12.073 10.349 -12.299 1.00 0.00 C ATOM 641 C GLN A 41 -12.497 8.901 -12.557 1.00 0.00 C ATOM 642 O GLN A 41 -13.163 8.314 -11.714 1.00 0.00 O ATOM 643 CB GLN A 41 -10.978 10.441 -11.222 1.00 0.00 C ATOM 644 CG GLN A 41 -9.571 10.101 -11.677 1.00 0.00 C ATOM 645 CD GLN A 41 -8.633 9.832 -10.505 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.012 8.784 -10.456 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.526 10.718 -9.521 1.00 0.00 N ATOM 0 H GLN A 41 -13.449 10.616 -10.794 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.742 10.754 -13.255 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.974 11.454 -10.821 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.245 9.774 -10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.602 9.224 -12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.176 10.923 -12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.047 11.594 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.923 10.522 -8.722 1.00 0.00 H new ATOM 656 N ARG A 42 -12.085 8.281 -13.666 1.00 0.00 N ATOM 657 CA ARG A 42 -12.266 6.837 -13.880 1.00 0.00 C ATOM 658 C ARG A 42 -10.897 6.195 -13.967 1.00 0.00 C ATOM 659 O ARG A 42 -9.929 6.862 -14.322 1.00 0.00 O ATOM 660 CB ARG A 42 -13.097 6.551 -15.153 1.00 0.00 C ATOM 661 CG ARG A 42 -14.336 5.693 -14.877 1.00 0.00 C ATOM 662 CD ARG A 42 -15.436 5.828 -15.942 1.00 0.00 C ATOM 663 NE ARG A 42 -16.624 5.027 -15.561 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.801 4.946 -16.204 1.00 0.00 C ATOM 665 NH1 ARG A 42 -18.009 5.614 -17.327 1.00 0.00 N ATOM 666 NH2 ARG A 42 -18.776 4.193 -15.716 1.00 0.00 N ATOM 0 H ARG A 42 -11.620 8.759 -14.438 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.823 6.413 -13.044 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.408 7.496 -15.598 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.468 6.046 -15.886 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.035 4.648 -14.810 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.748 5.968 -13.906 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.716 6.875 -16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.059 5.494 -16.908 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.538 4.472 -14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.271 6.200 -17.716 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.908 5.543 -17.804 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.634 3.673 -14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.668 4.133 -16.206 1.00 0.00 H new ATOM 680 N LEU A 43 -10.850 4.889 -13.723 1.00 0.00 N ATOM 681 CA LEU A 43 -9.636 4.104 -13.827 1.00 0.00 C ATOM 682 C LEU A 43 -9.931 2.968 -14.774 1.00 0.00 C ATOM 683 O LEU A 43 -10.925 2.269 -14.622 1.00 0.00 O ATOM 684 CB LEU A 43 -9.231 3.605 -12.425 1.00 0.00 C ATOM 685 CG LEU A 43 -7.750 3.847 -12.113 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.370 5.336 -12.167 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.465 3.339 -10.699 1.00 0.00 C ATOM 0 H LEU A 43 -11.666 4.345 -13.445 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.798 4.686 -14.211 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.842 4.107 -11.675 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.444 2.539 -12.348 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.164 3.321 -12.867 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.310 5.450 -11.938 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.570 5.726 -13.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.960 5.889 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.415 3.503 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.089 3.878 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.688 2.274 -10.643 1.00 0.00 H new ATOM 699 N ILE A 44 -9.087 2.819 -15.778 1.00 0.00 N ATOM 700 CA ILE A 44 -9.137 1.735 -16.751 1.00 0.00 C ATOM 701 C ILE A 44 -7.835 0.972 -16.601 1.00 0.00 C ATOM 702 O ILE A 44 -6.820 1.519 -16.181 1.00 0.00 O ATOM 703 CB ILE A 44 -9.417 2.310 -18.166 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.865 2.866 -18.137 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.275 1.304 -19.332 1.00 0.00 C ATOM 706 CD1 ILE A 44 -11.179 3.906 -19.208 1.00 0.00 C ATOM 0 H ILE A 44 -8.320 3.470 -15.947 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.955 1.034 -16.585 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.660 3.068 -18.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.560 2.033 -18.246 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.049 3.308 -17.158 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.492 1.807 -20.275 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.257 0.914 -19.354 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.976 0.481 -19.190 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.214 4.233 -19.105 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.514 4.762 -19.090 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.034 3.467 -20.195 1.00 0.00 H new ATOM 718 N PHE A 45 -7.866 -0.291 -16.982 1.00 0.00 N ATOM 719 CA PHE A 45 -6.712 -1.154 -17.020 1.00 0.00 C ATOM 720 C PHE A 45 -6.927 -2.074 -18.203 1.00 0.00 C ATOM 721 O PHE A 45 -7.934 -2.762 -18.250 1.00 0.00 O ATOM 722 CB PHE A 45 -6.658 -1.965 -15.720 1.00 0.00 C ATOM 723 CG PHE A 45 -5.633 -3.076 -15.739 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.291 -2.774 -16.029 1.00 0.00 C ATOM 725 CD2 PHE A 45 -6.016 -4.410 -15.503 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.326 -3.794 -16.048 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.051 -5.427 -15.501 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.704 -5.119 -15.759 1.00 0.00 C ATOM 0 H PHE A 45 -8.724 -0.754 -17.282 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.778 -0.600 -17.116 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.436 -1.292 -14.891 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.642 -2.393 -15.528 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.001 -1.755 -16.238 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.054 -4.650 -15.323 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.298 -3.563 -16.283 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.343 -6.447 -15.301 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.958 -5.900 -15.736 1.00 0.00 H new ATOM 738 N ALA A 46 -6.022 -2.055 -19.175 1.00 0.00 N ATOM 739 CA ALA A 46 -5.988 -3.042 -20.262 1.00 0.00 C ATOM 740 C ALA A 46 -7.311 -3.199 -21.035 1.00 0.00 C ATOM 741 O ALA A 46 -7.700 -4.296 -21.437 1.00 0.00 O ATOM 742 CB ALA A 46 -5.513 -4.367 -19.663 1.00 0.00 C ATOM 0 H ALA A 46 -5.285 -1.353 -19.237 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.296 -2.684 -21.024 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.475 -5.127 -20.444 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.519 -4.237 -19.235 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.206 -4.683 -18.883 1.00 0.00 H new ATOM 748 N GLY A 47 -8.011 -2.084 -21.213 1.00 0.00 N ATOM 749 CA GLY A 47 -9.288 -2.032 -21.928 1.00 0.00 C ATOM 750 C GLY A 47 -10.485 -2.420 -21.055 1.00 0.00 C ATOM 751 O GLY A 47 -11.571 -2.670 -21.578 1.00 0.00 O ATOM 0 H GLY A 47 -7.706 -1.177 -20.861 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.440 -1.024 -22.314 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.243 -2.700 -22.788 1.00 0.00 H new ATOM 755 N LYS A 48 -10.311 -2.453 -19.728 1.00 0.00 N ATOM 756 CA LYS A 48 -11.306 -2.863 -18.747 1.00 0.00 C ATOM 757 C LYS A 48 -11.352 -1.789 -17.667 1.00 0.00 C ATOM 758 O LYS A 48 -10.352 -1.480 -17.044 1.00 0.00 O ATOM 759 CB LYS A 48 -10.913 -4.271 -18.242 1.00 0.00 C ATOM 760 CG LYS A 48 -11.673 -4.735 -16.994 1.00 0.00 C ATOM 761 CD LYS A 48 -11.408 -6.205 -16.625 1.00 0.00 C ATOM 762 CE LYS A 48 -11.965 -7.186 -17.673 1.00 0.00 C ATOM 763 NZ LYS A 48 -11.787 -8.610 -17.269 1.00 0.00 N ATOM 0 H LYS A 48 -9.428 -2.180 -19.295 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.315 -2.948 -19.149 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.082 -4.991 -19.043 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.845 -4.280 -18.026 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.394 -4.101 -16.152 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.742 -4.597 -17.157 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.335 -6.362 -16.520 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.858 -6.420 -15.656 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.025 -6.985 -17.828 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.466 -7.017 -18.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.177 -9.231 -18.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.774 -8.812 -17.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.285 -8.781 -16.372 1.00 0.00 H new ATOM 777 N GLN A 49 -12.494 -1.141 -17.496 1.00 0.00 N ATOM 778 CA GLN A 49 -12.740 -0.186 -16.414 1.00 0.00 C ATOM 779 C GLN A 49 -12.640 -0.924 -15.076 1.00 0.00 C ATOM 780 O GLN A 49 -13.027 -2.091 -14.978 1.00 0.00 O ATOM 781 CB GLN A 49 -14.160 0.360 -16.620 1.00 0.00 C ATOM 782 CG GLN A 49 -14.503 1.640 -15.843 1.00 0.00 C ATOM 783 CD GLN A 49 -16.015 1.851 -15.708 1.00 0.00 C ATOM 784 OE1 GLN A 49 -16.500 2.253 -14.654 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.804 1.628 -16.752 1.00 0.00 N ATOM 0 H GLN A 49 -13.295 -1.263 -18.115 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.016 0.629 -16.415 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.304 0.553 -17.683 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.872 -0.416 -16.338 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.055 1.591 -14.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.062 2.499 -16.349 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.406 1.294 -17.630 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.808 1.791 -16.676 1.00 0.00 H new ATOM 794 N LEU A 50 -12.186 -0.213 -14.044 1.00 0.00 N ATOM 795 CA LEU A 50 -12.179 -0.699 -12.664 1.00 0.00 C ATOM 796 C LEU A 50 -13.203 0.108 -11.868 1.00 0.00 C ATOM 797 O LEU A 50 -13.470 1.250 -12.250 1.00 0.00 O ATOM 798 CB LEU A 50 -10.776 -0.549 -12.044 1.00 0.00 C ATOM 799 CG LEU A 50 -9.554 -0.890 -12.927 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.268 -0.831 -12.093 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.669 -2.254 -13.607 1.00 0.00 C ATOM 0 H LEU A 50 -11.808 0.729 -14.144 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.439 -1.757 -12.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.668 0.482 -11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.734 -1.180 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.522 -0.142 -13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.413 -1.073 -12.725 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.145 0.172 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.331 -1.550 -11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.781 -2.435 -14.212 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.756 -3.032 -12.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.552 -2.269 -14.246 1.00 0.00 H new ATOM 813 N GLU A 51 -13.734 -0.408 -10.752 1.00 0.00 N ATOM 814 CA GLU A 51 -14.701 0.331 -9.935 1.00 0.00 C ATOM 815 C GLU A 51 -14.111 0.597 -8.554 1.00 0.00 C ATOM 816 O GLU A 51 -13.227 -0.127 -8.103 1.00 0.00 O ATOM 817 CB GLU A 51 -16.094 -0.326 -9.952 1.00 0.00 C ATOM 818 CG GLU A 51 -16.207 -1.634 -9.182 1.00 0.00 C ATOM 819 CD GLU A 51 -17.607 -2.252 -9.313 1.00 0.00 C ATOM 820 OE1 GLU A 51 -17.889 -2.933 -10.331 1.00 0.00 O ATOM 821 OE2 GLU A 51 -18.440 -2.076 -8.390 1.00 0.00 O ATOM 0 H GLU A 51 -13.509 -1.336 -10.395 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.885 1.312 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.816 0.381 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.379 -0.508 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.462 -2.339 -9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.984 -1.457 -8.130 1.00 0.00 H new ATOM 828 N ASP A 52 -14.585 1.655 -7.893 1.00 0.00 N ATOM 829 CA ASP A 52 -13.995 2.214 -6.671 1.00 0.00 C ATOM 830 C ASP A 52 -13.891 1.189 -5.552 1.00 0.00 C ATOM 831 O ASP A 52 -12.908 1.184 -4.809 1.00 0.00 O ATOM 832 CB ASP A 52 -14.810 3.430 -6.203 1.00 0.00 C ATOM 833 CG ASP A 52 -14.428 4.685 -6.988 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.244 5.076 -6.966 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.279 5.250 -7.710 1.00 0.00 O ATOM 0 H ASP A 52 -15.414 2.163 -8.201 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.979 2.524 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.874 3.229 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.641 3.597 -5.139 1.00 0.00 H new ATOM 840 N GLY A 53 -14.877 0.295 -5.467 1.00 0.00 N ATOM 841 CA GLY A 53 -14.996 -0.702 -4.413 1.00 0.00 C ATOM 842 C GLY A 53 -14.116 -1.936 -4.619 1.00 0.00 C ATOM 843 O GLY A 53 -14.275 -2.916 -3.890 1.00 0.00 O ATOM 0 H GLY A 53 -15.633 0.247 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.738 -0.240 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.037 -1.019 -4.343 1.00 0.00 H new ATOM 847 N ARG A 54 -13.225 -1.926 -5.614 1.00 0.00 N ATOM 848 CA ARG A 54 -12.407 -3.071 -6.006 1.00 0.00 C ATOM 849 C ARG A 54 -10.946 -2.746 -5.791 1.00 0.00 C ATOM 850 O ARG A 54 -10.630 -1.632 -5.387 1.00 0.00 O ATOM 851 CB ARG A 54 -12.724 -3.423 -7.464 1.00 0.00 C ATOM 852 CG ARG A 54 -14.173 -3.891 -7.683 1.00 0.00 C ATOM 853 CD ARG A 54 -14.591 -5.105 -6.859 1.00 0.00 C ATOM 854 NE ARG A 54 -15.938 -5.569 -7.233 1.00 0.00 N ATOM 855 CZ ARG A 54 -16.248 -6.432 -8.210 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.305 -6.991 -8.962 1.00 0.00 N ATOM 857 NH2 ARG A 54 -17.524 -6.740 -8.431 1.00 0.00 N ATOM 0 H ARG A 54 -13.050 -1.098 -6.183 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.633 -3.943 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.534 -2.551 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.044 -4.207 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.845 -3.065 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.308 -4.124 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.873 -5.912 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.573 -4.851 -5.799 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.717 -5.194 -6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.323 -6.765 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.563 -7.646 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.257 -6.320 -7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.769 -7.396 -9.173 1.00 0.00 H new ATOM 871 N THR A 55 -10.044 -3.682 -6.041 1.00 0.00 N ATOM 872 CA THR A 55 -8.635 -3.530 -5.725 1.00 0.00 C ATOM 873 C THR A 55 -7.811 -3.911 -6.927 1.00 0.00 C ATOM 874 O THR A 55 -8.309 -4.524 -7.868 1.00 0.00 O ATOM 875 CB THR A 55 -8.264 -4.421 -4.540 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.697 -5.748 -4.786 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.866 -3.957 -3.218 1.00 0.00 C ATOM 0 H THR A 55 -10.273 -4.577 -6.473 1.00 0.00 H new ATOM 0 HA THR A 55 -8.436 -2.492 -5.460 1.00 0.00 H new ATOM 0 HB THR A 55 -7.180 -4.365 -4.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.925 -6.351 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.561 -4.636 -2.421 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.515 -2.950 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.953 -3.953 -3.295 1.00 0.00 H new ATOM 885 N LEU A 56 -6.526 -3.581 -6.894 1.00 0.00 N ATOM 886 CA LEU A 56 -5.638 -3.914 -8.008 1.00 0.00 C ATOM 887 C LEU A 56 -5.586 -5.438 -8.199 1.00 0.00 C ATOM 888 O LEU A 56 -5.664 -5.942 -9.318 1.00 0.00 O ATOM 889 CB LEU A 56 -4.254 -3.276 -7.779 1.00 0.00 C ATOM 890 CG LEU A 56 -4.296 -1.776 -7.442 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.882 -1.224 -7.317 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.020 -0.983 -8.541 1.00 0.00 C ATOM 0 H LEU A 56 -6.077 -3.090 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.023 -3.499 -8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.753 -3.805 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.649 -3.418 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.832 -1.669 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.926 -0.161 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.354 -1.753 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.353 -1.362 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.035 0.074 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.497 -1.113 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.043 -1.347 -8.639 1.00 0.00 H new ATOM 904 N SER A 57 -5.564 -6.170 -7.095 1.00 0.00 N ATOM 905 CA SER A 57 -5.633 -7.616 -7.028 1.00 0.00 C ATOM 906 C SER A 57 -6.937 -8.180 -7.587 1.00 0.00 C ATOM 907 O SER A 57 -6.904 -9.254 -8.190 1.00 0.00 O ATOM 908 CB SER A 57 -5.470 -8.036 -5.570 1.00 0.00 C ATOM 909 OG SER A 57 -6.291 -7.270 -4.698 1.00 0.00 O ATOM 0 H SER A 57 -5.493 -5.743 -6.171 1.00 0.00 H new ATOM 0 HA SER A 57 -4.833 -8.020 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.719 -9.092 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.426 -7.925 -5.276 1.00 0.00 H new ATOM 0 HG SER A 57 -6.158 -7.571 -3.775 1.00 0.00 H new ATOM 915 N ASP A 58 -8.065 -7.467 -7.459 1.00 0.00 N ATOM 916 CA ASP A 58 -9.341 -7.907 -8.030 1.00 0.00 C ATOM 917 C ASP A 58 -9.267 -7.957 -9.561 1.00 0.00 C ATOM 918 O ASP A 58 -10.025 -8.684 -10.209 1.00 0.00 O ATOM 919 CB ASP A 58 -10.474 -6.986 -7.593 1.00 0.00 C ATOM 920 CG ASP A 58 -11.835 -7.553 -8.039 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.235 -8.625 -7.525 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.541 -6.891 -8.836 1.00 0.00 O ATOM 0 H ASP A 58 -8.117 -6.578 -6.961 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.543 -8.912 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.459 -6.871 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.329 -5.994 -8.021 1.00 0.00 H new ATOM 927 N TYR A 59 -8.284 -7.243 -10.118 1.00 0.00 N ATOM 928 CA TYR A 59 -7.996 -7.153 -11.543 1.00 0.00 C ATOM 929 C TYR A 59 -6.640 -7.779 -11.903 1.00 0.00 C ATOM 930 O TYR A 59 -6.176 -7.668 -13.037 1.00 0.00 O ATOM 931 CB TYR A 59 -8.104 -5.686 -11.958 1.00 0.00 C ATOM 932 CG TYR A 59 -9.465 -5.090 -11.674 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.586 -5.510 -12.414 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.621 -4.150 -10.638 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.859 -4.981 -12.140 1.00 0.00 C ATOM 936 CE2 TYR A 59 -10.890 -3.651 -10.332 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.014 -4.042 -11.095 1.00 0.00 C ATOM 938 OH TYR A 59 -13.217 -3.450 -10.865 1.00 0.00 O ATOM 0 H TYR A 59 -7.639 -6.687 -9.556 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.726 -7.736 -12.104 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.344 -5.108 -11.432 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.890 -5.599 -13.023 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.467 -6.244 -13.198 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.760 -3.814 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.713 -5.290 -12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.013 -2.963 -9.508 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.937 -4.060 -11.128 1.00 0.00 H new ATOM 948 N ASN A 60 -6.029 -8.482 -10.943 1.00 0.00 N ATOM 949 CA ASN A 60 -4.788 -9.244 -11.059 1.00 0.00 C ATOM 950 C ASN A 60 -3.574 -8.392 -11.450 1.00 0.00 C ATOM 951 O ASN A 60 -2.553 -8.912 -11.902 1.00 0.00 O ATOM 952 CB ASN A 60 -4.990 -10.477 -11.961 1.00 0.00 C ATOM 953 CG ASN A 60 -4.179 -11.660 -11.446 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.162 -12.054 -12.012 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.633 -12.245 -10.342 1.00 0.00 N ATOM 0 H ASN A 60 -6.418 -8.535 -10.002 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.540 -9.607 -10.062 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.047 -10.741 -11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.689 -10.240 -12.982 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.134 -13.041 -9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.480 -11.898 -9.892 1.00 0.00 H new ATOM 962 N ILE A 61 -3.684 -7.077 -11.265 1.00 0.00 N ATOM 963 CA ILE A 61 -2.593 -6.123 -11.373 1.00 0.00 C ATOM 964 C ILE A 61 -1.605 -6.459 -10.249 1.00 0.00 C ATOM 965 O ILE A 61 -2.017 -6.807 -9.136 1.00 0.00 O ATOM 966 CB ILE A 61 -3.195 -4.714 -11.213 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.172 -4.357 -12.350 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.125 -3.611 -11.094 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.198 -3.314 -11.905 1.00 0.00 C ATOM 0 H ILE A 61 -4.572 -6.635 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.071 -6.164 -12.329 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.748 -4.754 -10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.613 -3.976 -13.205 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.689 -5.257 -12.683 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.612 -2.642 -10.984 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.499 -3.804 -10.223 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.506 -3.606 -11.991 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.869 -3.088 -12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.775 -3.705 -11.067 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.682 -2.404 -11.597 1.00 0.00 H new ATOM 981 N GLN A 62 -0.315 -6.300 -10.528 1.00 0.00 N ATOM 982 CA GLN A 62 0.773 -6.500 -9.580 1.00 0.00 C ATOM 983 C GLN A 62 1.632 -5.229 -9.594 1.00 0.00 C ATOM 984 O GLN A 62 1.234 -4.202 -10.143 1.00 0.00 O ATOM 985 CB GLN A 62 1.566 -7.764 -9.986 1.00 0.00 C ATOM 986 CG GLN A 62 0.684 -9.022 -10.046 1.00 0.00 C ATOM 987 CD GLN A 62 1.464 -10.262 -10.495 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.499 -10.615 -9.931 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.985 -10.955 -11.519 1.00 0.00 N ATOM 0 H GLN A 62 0.012 -6.019 -11.452 1.00 0.00 H new ATOM 0 HA GLN A 62 0.414 -6.663 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.027 -7.602 -10.960 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.375 -7.926 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.250 -9.205 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.145 -8.849 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.126 -10.655 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.475 -11.788 -11.845 1.00 0.00 H new ATOM 998 N LYS A 63 2.801 -5.259 -8.958 1.00 0.00 N ATOM 999 CA LYS A 63 3.792 -4.196 -9.012 1.00 0.00 C ATOM 1000 C LYS A 63 4.244 -3.939 -10.441 1.00 0.00 C ATOM 1001 O LYS A 63 4.074 -4.779 -11.324 1.00 0.00 O ATOM 1002 CB LYS A 63 4.985 -4.580 -8.116 1.00 0.00 C ATOM 1003 CG LYS A 63 5.884 -5.672 -8.694 1.00 0.00 C ATOM 1004 CD LYS A 63 6.868 -6.165 -7.622 1.00 0.00 C ATOM 1005 CE LYS A 63 7.932 -7.070 -8.252 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.865 -7.639 -7.242 1.00 0.00 N ATOM 0 H LYS A 63 3.089 -6.046 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 63 3.347 -3.271 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.587 -3.690 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.606 -4.913 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.276 -6.503 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.433 -5.286 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.346 -5.313 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.329 -6.711 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.442 -7.883 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.500 -6.500 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.565 -8.243 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.354 -6.866 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.329 -8.206 -6.554 1.00 0.00 H new ATOM 1020 N GLU A 64 4.875 -2.777 -10.598 1.00 0.00 N ATOM 1021 CA GLU A 64 5.456 -2.255 -11.826 1.00 0.00 C ATOM 1022 C GLU A 64 4.543 -2.557 -13.021 1.00 0.00 C ATOM 1023 O GLU A 64 4.962 -3.061 -14.067 1.00 0.00 O ATOM 1024 CB GLU A 64 6.954 -2.630 -11.934 1.00 0.00 C ATOM 1025 CG GLU A 64 7.313 -4.066 -12.323 1.00 0.00 C ATOM 1026 CD GLU A 64 8.806 -4.353 -12.072 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.637 -4.121 -12.986 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.162 -4.833 -10.970 1.00 0.00 O ATOM 0 H GLU A 64 5.000 -2.135 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 64 5.493 -1.166 -11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.413 -1.963 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.420 -2.419 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.704 -4.764 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.080 -4.230 -13.375 1.00 0.00 H new ATOM 1035 N SER A 65 3.258 -2.260 -12.810 1.00 0.00 N ATOM 1036 CA SER A 65 2.203 -2.541 -13.783 1.00 0.00 C ATOM 1037 C SER A 65 1.511 -1.237 -14.144 1.00 0.00 C ATOM 1038 O SER A 65 1.495 -0.307 -13.338 1.00 0.00 O ATOM 1039 CB SER A 65 1.214 -3.578 -13.238 1.00 0.00 C ATOM 1040 OG SER A 65 1.834 -4.839 -13.042 1.00 0.00 O ATOM 0 H SER A 65 2.921 -1.816 -11.956 1.00 0.00 H new ATOM 0 HA SER A 65 2.639 -2.971 -14.685 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.800 -3.225 -12.294 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.380 -3.686 -13.932 1.00 0.00 H new ATOM 0 HG SER A 65 2.609 -4.734 -12.452 1.00 0.00 H new ATOM 1046 N THR A 66 0.937 -1.171 -15.337 1.00 0.00 N ATOM 1047 CA THR A 66 0.433 0.067 -15.911 1.00 0.00 C ATOM 1048 C THR A 66 -1.087 0.091 -15.816 1.00 0.00 C ATOM 1049 O THR A 66 -1.745 -0.939 -15.907 1.00 0.00 O ATOM 1050 CB THR A 66 0.930 0.218 -17.371 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.336 0.027 -17.401 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.610 1.575 -18.020 1.00 0.00 C ATOM 0 H THR A 66 0.807 -1.984 -15.939 1.00 0.00 H new ATOM 0 HA THR A 66 0.815 0.920 -15.350 1.00 0.00 H new ATOM 0 HB THR A 66 0.395 -0.535 -17.949 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.659 0.119 -18.322 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.995 1.590 -19.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.470 1.724 -18.037 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.078 2.373 -17.444 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.634 1.292 -15.661 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.045 1.627 -15.545 1.00 0.00 C ATOM 1062 C LEU A 67 -3.357 2.804 -16.464 1.00 0.00 C ATOM 1063 O LEU A 67 -2.437 3.412 -17.000 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.292 2.024 -14.081 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.431 1.270 -13.415 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.071 -0.203 -13.241 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.683 1.876 -12.039 1.00 0.00 C ATOM 0 H LEU A 67 -1.049 2.126 -15.609 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.680 0.788 -15.829 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.378 1.856 -13.512 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.503 3.092 -14.037 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.320 1.347 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.899 -0.726 -12.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.876 -0.648 -14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.180 -0.289 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.499 1.343 -11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.781 1.792 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.950 2.927 -12.148 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.626 3.198 -16.561 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.068 4.340 -17.365 1.00 0.00 C ATOM 1081 C HIS A 68 -5.919 5.272 -16.490 1.00 0.00 C ATOM 1082 O HIS A 68 -6.824 4.778 -15.815 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.888 3.826 -18.567 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.104 3.542 -19.823 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.464 2.370 -20.174 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.022 4.372 -20.902 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -4.009 2.499 -21.437 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.319 3.715 -21.915 1.00 0.00 N ATOM 0 H HIS A 68 -5.389 2.726 -16.076 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.207 4.895 -17.738 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.402 2.913 -18.268 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.657 4.563 -18.800 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.354 1.548 -19.580 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.432 5.369 -20.963 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.474 1.736 -21.984 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.687 6.594 -16.505 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.523 7.579 -15.804 1.00 0.00 C ATOM 1097 C LEU A 69 -7.361 8.263 -16.853 1.00 0.00 C ATOM 1098 O LEU A 69 -6.791 8.694 -17.852 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.572 8.618 -15.173 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.047 9.963 -14.608 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.405 11.040 -15.635 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -7.186 9.773 -13.634 1.00 0.00 C ATOM 0 H LEU A 69 -4.906 7.013 -17.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.152 7.122 -15.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.055 8.108 -14.360 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.823 8.850 -15.931 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.166 10.351 -14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.726 11.944 -15.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.531 11.264 -16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.213 10.681 -16.273 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.502 10.743 -13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.023 9.294 -14.142 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.856 9.145 -12.806 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.656 8.449 -16.606 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.506 9.294 -17.448 1.00 0.00 C ATOM 1116 C VAL A 70 -10.336 10.188 -16.542 1.00 0.00 C ATOM 1117 O VAL A 70 -10.498 9.908 -15.354 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.388 8.445 -18.397 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.665 7.226 -18.963 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.659 7.884 -17.757 1.00 0.00 C ATOM 0 H VAL A 70 -9.146 8.021 -15.820 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.886 9.915 -18.095 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.637 9.170 -19.172 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.339 6.675 -19.619 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.792 7.551 -19.529 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.347 6.580 -18.145 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.213 7.304 -18.495 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.391 7.242 -16.918 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.280 8.706 -17.401 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.945 11.210 -17.125 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.947 12.017 -16.455 1.00 0.00 C ATOM 1132 C LEU A 71 -13.283 11.379 -16.771 1.00 0.00 C ATOM 1133 O LEU A 71 -13.520 11.051 -17.924 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.954 13.404 -17.100 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.866 14.414 -16.396 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -12.246 14.899 -15.086 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -13.215 15.520 -17.395 1.00 0.00 C ATOM 0 H LEU A 71 -10.754 11.503 -18.083 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.755 12.087 -15.384 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.936 13.794 -17.110 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.269 13.309 -18.139 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.804 13.952 -16.087 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.916 15.615 -14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.090 14.050 -14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.289 15.379 -15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.865 16.252 -16.915 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.301 16.010 -17.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.728 15.086 -18.253 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.193 11.322 -15.816 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.586 10.944 -16.063 1.00 0.00 C ATOM 1151 C ARG A 72 -16.580 11.910 -15.452 1.00 0.00 C ATOM 1152 O ARG A 72 -17.712 11.524 -15.204 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.836 9.484 -15.671 1.00 0.00 C ATOM 1154 CG ARG A 72 -15.965 9.229 -14.151 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.161 8.323 -13.838 1.00 0.00 C ATOM 1156 NE ARG A 72 -18.449 8.891 -14.289 1.00 0.00 N ATOM 1157 CZ ARG A 72 -19.652 8.298 -14.238 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -19.792 7.094 -13.692 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -20.711 8.906 -14.755 1.00 0.00 N ATOM 0 H ARG A 72 -13.993 11.537 -14.839 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.757 11.018 -17.137 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.748 9.143 -16.160 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.020 8.874 -16.059 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.050 8.769 -13.778 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.079 10.179 -13.629 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.011 7.354 -14.315 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.205 8.146 -12.763 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.421 9.833 -14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.980 6.611 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.711 6.653 -13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.611 9.823 -15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.626 8.457 -14.717 1.00 0.00 H new ATOM 1331 N ILE B 683 -5.853 15.145 -21.726 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.316 14.112 -22.609 1.00 0.00 C ATOM 1333 C ILE B 683 -5.625 14.336 -23.960 1.00 0.00 C ATOM 1334 O ILE B 683 -5.497 15.472 -24.425 1.00 0.00 O ATOM 1335 CB ILE B 683 -7.855 14.182 -22.701 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.659 14.662 -21.452 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.376 12.815 -23.075 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -8.704 13.761 -20.204 1.00 0.00 C ATOM 0 HA ILE B 683 -6.070 13.112 -22.252 1.00 0.00 H new ATOM 0 HB ILE B 683 -8.021 14.962 -23.444 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.251 15.626 -21.148 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.687 14.837 -21.769 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.463 12.847 -23.144 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -7.959 12.518 -24.037 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.082 12.093 -22.314 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.303 14.241 -19.430 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.150 12.801 -20.464 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.691 13.602 -19.833 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.173 13.247 -24.584 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.403 13.210 -25.828 1.00 0.00 C ATOM 1352 C ASP B 684 -4.931 12.050 -26.682 1.00 0.00 C ATOM 1353 O ASP B 684 -5.137 10.957 -26.133 1.00 0.00 O ATOM 1354 CB ASP B 684 -2.900 13.001 -25.560 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.131 12.893 -26.887 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.043 11.774 -27.444 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.629 13.932 -27.373 1.00 0.00 O ATOM 0 H ASP B 684 -5.345 12.313 -24.213 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.519 14.164 -26.342 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.510 13.832 -24.972 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.751 12.096 -24.971 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.179 12.251 -27.992 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.703 11.238 -28.898 1.00 0.00 C ATOM 1364 C PRO B 685 -5.079 9.850 -28.779 1.00 0.00 C ATOM 1365 O PRO B 685 -5.823 8.876 -28.815 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.501 11.804 -30.306 1.00 0.00 C ATOM 1367 CG PRO B 685 -5.676 13.303 -30.086 1.00 0.00 C ATOM 1368 CD PRO B 685 -5.040 13.514 -28.714 1.00 0.00 C ATOM 0 HA PRO B 685 -6.747 11.057 -28.643 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -4.514 11.564 -30.702 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -6.232 11.409 -31.011 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -5.176 13.887 -30.859 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -6.726 13.594 -30.095 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.990 13.791 -28.812 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.535 14.324 -28.178 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.756 9.719 -28.643 1.00 0.00 N ATOM 1377 CA GLN B 686 -3.129 8.407 -28.743 1.00 0.00 C ATOM 1378 C GLN B 686 -3.538 7.525 -27.561 1.00 0.00 C ATOM 1379 O GLN B 686 -3.911 6.368 -27.765 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.604 8.563 -28.857 1.00 0.00 C ATOM 1381 CG GLN B 686 -0.850 7.228 -28.968 1.00 0.00 C ATOM 1382 CD GLN B 686 -1.249 6.383 -30.185 1.00 0.00 C ATOM 1383 OE1 GLN B 686 -0.678 6.518 -31.265 1.00 0.00 O ATOM 1384 NE2 GLN B 686 -2.229 5.499 -30.044 1.00 0.00 N ATOM 0 H GLN B 686 -3.113 10.491 -28.467 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.476 7.906 -29.647 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.375 9.173 -29.731 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.237 9.105 -27.985 1.00 0.00 H new ATOM 0 HG2 GLN B 686 0.220 7.430 -29.014 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -1.026 6.647 -28.062 1.00 0.00 H new ATOM 0 HE21 GLN B 686 -2.696 5.395 -29.143 1.00 0.00 H new ATOM 0 HE22 GLN B 686 -2.515 4.924 -30.836 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.508 8.044 -26.332 1.00 0.00 N ATOM 1394 CA VAL B 687 -3.919 7.247 -25.176 1.00 0.00 C ATOM 1395 C VAL B 687 -5.416 6.997 -25.237 1.00 0.00 C ATOM 1396 O VAL B 687 -5.909 5.905 -24.980 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.593 7.965 -23.866 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.892 7.009 -22.708 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.141 8.434 -23.820 1.00 0.00 C ATOM 0 H VAL B 687 -3.209 8.995 -26.114 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.374 6.304 -25.205 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.210 8.860 -23.786 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.666 7.501 -21.762 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.945 6.730 -22.729 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.277 6.114 -22.807 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -1.952 8.939 -22.873 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.478 7.574 -23.912 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -1.955 9.125 -24.643 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.157 8.031 -25.595 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.583 7.995 -25.783 1.00 0.00 C ATOM 1411 C PHE B 688 -7.979 6.984 -26.886 1.00 0.00 C ATOM 1412 O PHE B 688 -9.113 6.523 -26.877 1.00 0.00 O ATOM 1413 CB PHE B 688 -7.972 9.449 -25.995 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.448 9.709 -26.257 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.426 9.453 -25.275 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -9.854 10.181 -27.521 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.791 9.663 -25.553 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.216 10.394 -27.797 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.184 10.133 -26.816 1.00 0.00 C ATOM 0 H PHE B 688 -5.758 8.953 -25.768 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.147 7.609 -24.934 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.673 10.017 -25.114 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.399 9.840 -26.836 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.127 9.093 -24.302 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.114 10.380 -28.282 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.534 9.463 -24.795 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.518 10.760 -28.767 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.230 10.293 -27.032 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.050 6.561 -27.758 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.227 5.477 -28.724 1.00 0.00 C ATOM 1431 C TYR B 689 -6.799 4.112 -28.151 1.00 0.00 C ATOM 1432 O TYR B 689 -7.366 3.083 -28.520 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.423 5.805 -29.992 1.00 0.00 C ATOM 1434 CG TYR B 689 -6.907 5.081 -31.232 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -7.896 5.680 -32.032 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.390 3.816 -31.577 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -8.382 5.017 -33.174 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -6.871 3.145 -32.717 1.00 0.00 C ATOM 1439 CZ TYR B 689 -7.873 3.743 -33.518 1.00 0.00 C ATOM 1440 OH TYR B 689 -8.337 3.083 -34.620 1.00 0.00 O ATOM 0 H TYR B 689 -6.123 6.983 -27.807 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.288 5.398 -28.962 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -6.467 6.879 -30.170 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -5.376 5.553 -29.822 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -8.284 6.653 -31.769 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.624 3.361 -30.966 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -9.142 5.480 -33.786 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -6.476 2.175 -32.980 1.00 0.00 H new ATOM 0 HH TYR B 689 -7.875 2.223 -34.705 1.00 0.00 H new ATOM 1450 N GLU B 690 -5.830 4.097 -27.226 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.437 2.933 -26.407 1.00 0.00 C ATOM 1452 C GLU B 690 -6.639 2.442 -25.579 1.00 0.00 C ATOM 1453 O GLU B 690 -6.751 1.270 -25.218 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.296 3.372 -25.471 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.192 2.318 -25.305 1.00 0.00 C ATOM 1456 CD GLU B 690 -1.974 2.857 -24.525 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -1.548 4.021 -24.740 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -1.385 2.089 -23.723 1.00 0.00 O ATOM 0 H GLU B 690 -5.274 4.926 -27.016 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.106 2.115 -27.047 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -3.854 4.290 -25.858 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.712 3.607 -24.491 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -3.598 1.450 -24.785 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -2.868 1.978 -26.288 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.522 3.388 -25.278 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.699 3.293 -24.439 1.00 0.00 C ATOM 1467 C LEU B 691 -9.806 2.428 -25.075 1.00 0.00 C ATOM 1468 O LEU B 691 -9.923 2.388 -26.299 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.169 4.757 -24.266 1.00 0.00 C ATOM 1470 CG LEU B 691 -9.690 5.154 -22.897 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -8.661 4.836 -21.800 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -10.035 6.637 -22.889 1.00 0.00 C ATOM 0 H LEU B 691 -7.416 4.330 -25.655 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.473 2.807 -23.490 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -8.335 5.413 -24.515 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -9.954 4.950 -24.997 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.590 4.575 -22.687 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -9.061 5.131 -20.830 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -8.452 3.766 -21.796 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -7.740 5.385 -21.995 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.409 6.918 -21.904 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.143 7.219 -23.118 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -10.801 6.836 -23.638 1.00 0.00 H new ATOM 1484 N PRO B 692 -10.696 1.798 -24.282 1.00 0.00 N ATOM 1485 CA PRO B 692 -11.865 1.071 -24.790 1.00 0.00 C ATOM 1486 C PRO B 692 -12.866 2.043 -25.417 1.00 0.00 C ATOM 1487 O PRO B 692 -12.971 3.193 -24.993 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.462 0.362 -23.569 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.045 1.273 -22.416 1.00 0.00 C ATOM 1490 CD PRO B 692 -10.645 1.689 -22.834 1.00 0.00 C ATOM 0 HA PRO B 692 -11.601 0.358 -25.571 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -13.546 0.272 -23.643 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.066 -0.647 -23.452 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -12.711 2.129 -22.311 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.047 0.749 -21.460 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.363 2.638 -22.377 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -9.905 0.952 -22.520 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.629 1.593 -26.407 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.525 2.453 -27.183 1.00 0.00 C ATOM 1500 C GLU B 693 -15.714 2.919 -26.344 1.00 0.00 C ATOM 1501 O GLU B 693 -16.126 4.072 -26.441 1.00 0.00 O ATOM 1502 CB GLU B 693 -14.972 1.677 -28.435 1.00 0.00 C ATOM 1503 CG GLU B 693 -15.733 2.522 -29.472 1.00 0.00 C ATOM 1504 CD GLU B 693 -14.917 3.696 -30.052 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -13.701 3.544 -30.313 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -15.523 4.770 -30.286 1.00 0.00 O ATOM 0 H GLU B 693 -13.646 0.616 -26.698 1.00 0.00 H new ATOM 0 HA GLU B 693 -14.000 3.358 -27.489 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -14.093 1.245 -28.912 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -15.607 0.847 -28.125 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -16.049 1.875 -30.290 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -16.638 2.916 -29.009 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.256 2.048 -25.488 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.466 2.367 -24.730 1.00 0.00 C ATOM 1515 C ALA B 694 -17.187 3.414 -23.653 1.00 0.00 C ATOM 1516 O ALA B 694 -17.965 4.347 -23.466 1.00 0.00 O ATOM 1517 CB ALA B 694 -18.024 1.085 -24.114 1.00 0.00 C ATOM 0 H ALA B 694 -15.876 1.119 -25.304 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.206 2.794 -25.407 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -18.926 1.316 -23.548 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -18.265 0.376 -24.906 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -17.280 0.647 -23.448 1.00 0.00 H new ATOM 1523 N VAL B 695 -16.042 3.310 -22.965 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.716 4.294 -21.929 1.00 0.00 C ATOM 1525 C VAL B 695 -15.344 5.620 -22.603 1.00 0.00 C ATOM 1526 O VAL B 695 -15.728 6.671 -22.100 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.663 3.779 -20.926 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.756 4.587 -19.622 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -14.860 2.304 -20.535 1.00 0.00 C ATOM 0 H VAL B 695 -15.346 2.577 -23.102 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.595 4.470 -21.308 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.701 3.888 -21.426 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -14.012 4.222 -18.914 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.571 5.640 -19.833 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.751 4.472 -19.193 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.085 2.008 -19.828 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.840 2.178 -20.074 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -14.795 1.680 -21.426 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.706 5.598 -23.788 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.531 6.823 -24.568 1.00 0.00 C ATOM 1541 C GLN B 696 -15.891 7.441 -24.881 1.00 0.00 C ATOM 1542 O GLN B 696 -16.026 8.651 -24.785 1.00 0.00 O ATOM 1543 CB GLN B 696 -13.835 6.561 -25.911 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.355 6.208 -25.865 1.00 0.00 C ATOM 1545 CD GLN B 696 -11.935 5.752 -27.268 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -11.968 6.521 -28.229 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.602 4.481 -27.439 1.00 0.00 N ATOM 0 H GLN B 696 -14.312 4.759 -24.214 1.00 0.00 H new ATOM 0 HA GLN B 696 -13.915 7.489 -23.964 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.361 5.749 -26.413 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -13.952 7.449 -26.532 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.767 7.071 -25.552 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.174 5.417 -25.137 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.576 3.848 -26.639 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.371 4.135 -28.370 1.00 0.00 H new ATOM 1556 N LYS B 697 -16.897 6.631 -25.230 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.259 7.102 -25.508 1.00 0.00 C ATOM 1558 C LYS B 697 -18.792 7.940 -24.347 1.00 0.00 C ATOM 1559 O LYS B 697 -19.313 9.031 -24.588 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.202 5.909 -25.786 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.221 6.180 -26.907 1.00 0.00 C ATOM 1562 CD LYS B 697 -19.855 5.457 -28.217 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.472 5.851 -28.763 1.00 0.00 C ATOM 1564 NZ LYS B 697 -18.231 5.282 -30.116 1.00 0.00 N ATOM 0 H LYS B 697 -16.788 5.622 -25.328 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.223 7.731 -26.397 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.604 5.038 -26.053 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -19.739 5.659 -24.871 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -21.210 5.858 -26.581 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -20.279 7.253 -27.091 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -19.878 4.380 -28.048 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -20.612 5.678 -28.970 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -18.394 6.937 -28.806 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -17.698 5.503 -28.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -17.208 5.175 -30.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -18.691 4.352 -30.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -18.625 5.921 -30.836 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.602 7.451 -23.110 1.00 0.00 N ATOM 1579 CA GLU B 698 -19.004 8.188 -21.905 1.00 0.00 C ATOM 1580 C GLU B 698 -18.330 9.550 -21.947 1.00 0.00 C ATOM 1581 O GLU B 698 -18.974 10.587 -21.879 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.578 7.503 -20.579 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.638 7.738 -19.491 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.664 6.598 -19.445 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.700 6.664 -20.148 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.423 5.634 -18.677 1.00 0.00 O ATOM 0 H GLU B 698 -18.171 6.546 -22.921 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.093 8.240 -21.912 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.445 6.433 -20.741 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.617 7.898 -20.251 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -19.150 7.828 -18.521 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.150 8.682 -19.679 1.00 0.00 H new ATOM 1593 N LEU B 699 -17.009 9.499 -22.075 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.111 10.618 -21.935 1.00 0.00 C ATOM 1595 C LEU B 699 -16.439 11.679 -22.957 1.00 0.00 C ATOM 1596 O LEU B 699 -16.824 12.755 -22.553 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.686 10.083 -22.089 1.00 0.00 C ATOM 1598 CG LEU B 699 -14.012 9.635 -20.786 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.942 9.042 -19.717 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.933 8.627 -21.184 1.00 0.00 C ATOM 0 H LEU B 699 -16.521 8.630 -22.290 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.213 11.090 -20.958 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.704 9.239 -22.779 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.072 10.857 -22.549 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.612 10.524 -20.298 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.357 8.761 -18.841 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.688 9.784 -19.432 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.441 8.160 -20.118 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.418 8.273 -20.291 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.395 7.782 -21.695 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.216 9.106 -21.850 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.355 11.389 -24.251 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.571 12.381 -25.296 1.00 0.00 C ATOM 1614 C LEU B 700 -17.951 13.011 -25.185 1.00 0.00 C ATOM 1615 O LEU B 700 -18.061 14.229 -25.326 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.280 11.811 -26.695 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.145 10.600 -27.095 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.323 10.977 -27.998 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.285 9.541 -27.794 1.00 0.00 C ATOM 0 H LEU B 700 -16.135 10.458 -24.604 1.00 0.00 H new ATOM 0 HA LEU B 700 -15.851 13.186 -25.146 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.425 12.602 -27.431 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.230 11.521 -26.742 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.560 10.199 -26.171 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -18.893 10.082 -28.245 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -18.967 11.686 -27.478 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -17.948 11.432 -28.915 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -16.908 8.691 -28.071 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -15.837 9.970 -28.690 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.497 9.208 -27.118 1.00 0.00 H new ATOM 1631 N ALA B 701 -18.992 12.217 -24.900 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.344 12.746 -24.836 1.00 0.00 C ATOM 1633 C ALA B 701 -20.503 13.645 -23.612 1.00 0.00 C ATOM 1634 O ALA B 701 -20.988 14.766 -23.734 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.340 11.588 -24.829 1.00 0.00 C ATOM 0 H ALA B 701 -18.917 11.217 -24.713 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.545 13.360 -25.714 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.355 11.982 -24.781 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.221 11.000 -25.739 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.155 10.954 -23.962 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.053 13.201 -22.445 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.114 13.991 -21.229 1.00 0.00 C ATOM 1643 C GLU B 702 -19.220 15.206 -21.322 1.00 0.00 C ATOM 1644 O GLU B 702 -19.602 16.260 -20.823 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.668 13.162 -20.026 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.640 12.077 -19.583 1.00 0.00 C ATOM 1647 CD GLU B 702 -21.977 12.665 -19.088 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.871 12.928 -19.927 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -22.137 12.863 -17.859 1.00 0.00 O ATOM 0 H GLU B 702 -19.635 12.279 -22.318 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.149 14.308 -21.104 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.712 12.695 -20.263 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.495 13.835 -19.187 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.829 11.398 -20.414 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.186 11.487 -18.786 1.00 0.00 H new ATOM 1656 N TRP B 703 -18.047 15.095 -21.946 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.087 16.176 -21.991 1.00 0.00 C ATOM 1658 C TRP B 703 -17.733 17.353 -22.734 1.00 0.00 C ATOM 1659 O TRP B 703 -17.739 18.471 -22.224 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.785 15.736 -22.698 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.831 14.756 -22.038 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.786 14.391 -20.734 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.801 13.934 -22.678 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.810 13.428 -20.535 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.114 13.167 -21.687 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.384 13.751 -24.013 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.052 12.296 -21.988 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.384 12.821 -24.345 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.728 12.092 -23.338 1.00 0.00 C ATOM 0 H TRP B 703 -17.744 14.250 -22.431 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.817 16.471 -20.977 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -16.072 15.306 -23.657 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.216 16.641 -22.912 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.421 14.794 -19.959 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.631 12.970 -19.641 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -13.842 14.337 -24.796 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.502 11.799 -21.203 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -12.118 12.665 -25.380 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.970 11.370 -23.605 1.00 0.00 H new