USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 81 SER OG : rot 27:sc= 1.25 USER MOD Set 1.2: A 86 HIS : no HE2:sc= 1.04 K(o=2.3,f=-2.3!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= -0.181 USER MOD Set 2.2: A 49 GLN : amide:sc= 0.414 K(o=0.23,f=-4.6!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= 0.544 (180deg=-0.049) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0.75 (180deg=0.518) USER MOD Single : A 32 THR OG1 : rot -52:sc= 0.705 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -0.0103 (180deg=-0.105) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0051 X(o=-0.0051,f=-0.41) USER MOD Single : A 45 SER OG : rot -174:sc= -1.83! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 1.28 (180deg=-1.81!) USER MOD Single : A 55 SER OG : rot -26:sc= 0.479 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.08) USER MOD Single : A 59 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.298) USER MOD Single : A 60 SER OG : rot 6:sc= 0.138 USER MOD Single : A 61 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.085) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 64 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.01) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= 0.18 (180deg=-0.0138) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00324 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 83 HIS : no HD1:sc= -0.499 K(o=-0.5,f=-1.3) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc=-0.00338 (180deg=-0.0733) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -10.700 14.189 5.554 1.00 0.00 N ATOM 38 CA ILE A 25 -9.515 13.343 5.715 1.00 0.00 C ATOM 39 C ILE A 25 -8.909 13.091 4.310 1.00 0.00 C ATOM 40 O ILE A 25 -9.623 13.209 3.302 1.00 0.00 O ATOM 41 CB ILE A 25 -9.924 12.015 6.453 1.00 0.00 C ATOM 42 CG1 ILE A 25 -8.688 11.311 7.074 1.00 0.00 C ATOM 43 CG2 ILE A 25 -10.707 11.060 5.525 1.00 0.00 C ATOM 44 CD1 ILE A 25 -9.013 10.192 8.041 1.00 0.00 C ATOM 0 HA ILE A 25 -8.754 13.825 6.329 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.593 12.292 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.074 10.909 6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.085 12.057 7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.971 10.155 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.616 11.553 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.088 10.797 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.088 9.761 8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.599 10.587 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.587 9.421 7.526 1.00 0.00 H new ATOM 56 N MET A 26 -7.617 12.735 4.225 1.00 0.00 N ATOM 57 CA MET A 26 -6.931 12.622 2.920 1.00 0.00 C ATOM 58 C MET A 26 -7.296 11.290 2.265 1.00 0.00 C ATOM 59 O MET A 26 -6.853 10.222 2.713 1.00 0.00 O ATOM 60 CB MET A 26 -5.391 12.755 3.067 1.00 0.00 C ATOM 61 CG MET A 26 -4.932 14.138 3.527 1.00 0.00 C ATOM 62 SD MET A 26 -5.498 15.439 2.413 1.00 0.00 S ATOM 63 CE MET A 26 -4.723 16.890 3.104 1.00 0.00 C ATOM 0 H MET A 26 -7.029 12.522 5.031 1.00 0.00 H new ATOM 0 HA MET A 26 -7.265 13.443 2.285 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.038 12.010 3.780 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.923 12.527 2.109 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.309 14.330 4.531 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.844 14.158 3.586 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.991 17.764 2.510 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.063 17.031 4.130 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.640 16.763 3.095 1.00 0.00 H new ATOM 73 N LYS A 27 -8.149 11.379 1.225 1.00 0.00 N ATOM 74 CA LYS A 27 -8.603 10.221 0.460 1.00 0.00 C ATOM 75 C LYS A 27 -7.535 9.892 -0.582 1.00 0.00 C ATOM 76 O LYS A 27 -7.507 10.480 -1.666 1.00 0.00 O ATOM 77 CB LYS A 27 -9.984 10.496 -0.206 1.00 0.00 C ATOM 78 CG LYS A 27 -11.045 11.126 0.730 1.00 0.00 C ATOM 79 CD LYS A 27 -11.312 10.301 2.006 1.00 0.00 C ATOM 80 CE LYS A 27 -11.889 8.904 1.717 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.200 8.974 1.023 1.00 0.00 N ATOM 0 H LYS A 27 -8.539 12.263 0.898 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.743 9.367 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.834 11.158 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.376 9.557 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.717 12.126 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.979 11.242 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.381 10.194 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.005 10.848 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.185 8.341 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.004 8.359 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.912 8.451 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.493 9.968 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.115 8.552 0.076 1.00 0.00 H new ATOM 95 N VAL A 28 -6.605 9.018 -0.188 1.00 0.00 N ATOM 96 CA VAL A 28 -5.450 8.637 -1.004 1.00 0.00 C ATOM 97 C VAL A 28 -5.762 7.360 -1.783 1.00 0.00 C ATOM 98 O VAL A 28 -6.021 6.312 -1.182 1.00 0.00 O ATOM 99 CB VAL A 28 -4.181 8.408 -0.102 1.00 0.00 C ATOM 100 CG1 VAL A 28 -2.935 8.050 -0.947 1.00 0.00 C ATOM 101 CG2 VAL A 28 -3.934 9.637 0.802 1.00 0.00 C ATOM 0 H VAL A 28 -6.634 8.550 0.718 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.240 9.448 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.373 7.551 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.080 7.900 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.126 7.135 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.720 8.863 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.053 9.463 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.774 10.519 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.801 9.797 1.443 1.00 0.00 H new ATOM 111 N THR A 29 -5.727 7.451 -3.116 1.00 0.00 N ATOM 112 CA THR A 29 -5.862 6.280 -3.978 1.00 0.00 C ATOM 113 C THR A 29 -4.491 5.616 -4.118 1.00 0.00 C ATOM 114 O THR A 29 -3.464 6.285 -4.178 1.00 0.00 O ATOM 115 CB THR A 29 -6.436 6.660 -5.377 1.00 0.00 C ATOM 116 OG1 THR A 29 -7.687 7.328 -5.193 1.00 0.00 O ATOM 117 CG2 THR A 29 -6.651 5.425 -6.278 1.00 0.00 C ATOM 0 H THR A 29 -5.606 8.329 -3.620 1.00 0.00 H new ATOM 0 HA THR A 29 -6.568 5.584 -3.525 1.00 0.00 H new ATOM 0 HB THR A 29 -5.712 7.306 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.058 7.574 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.052 5.742 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.699 4.916 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.354 4.743 -5.799 1.00 0.00 H new ATOM 125 N VAL A 30 -4.490 4.297 -4.066 1.00 0.00 N ATOM 126 CA VAL A 30 -3.309 3.469 -4.213 1.00 0.00 C ATOM 127 C VAL A 30 -3.568 2.464 -5.345 1.00 0.00 C ATOM 128 O VAL A 30 -4.544 1.698 -5.304 1.00 0.00 O ATOM 129 CB VAL A 30 -2.973 2.749 -2.852 1.00 0.00 C ATOM 130 CG1 VAL A 30 -1.915 1.655 -3.016 1.00 0.00 C ATOM 131 CG2 VAL A 30 -2.525 3.780 -1.786 1.00 0.00 C ATOM 0 H VAL A 30 -5.341 3.755 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.442 4.077 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.888 2.263 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.719 1.190 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.277 0.901 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.994 2.094 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.297 3.264 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.636 4.303 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.326 4.499 -1.616 1.00 0.00 H new ATOM 141 N LYS A 31 -2.694 2.508 -6.356 1.00 0.00 N ATOM 142 CA LYS A 31 -2.742 1.632 -7.520 1.00 0.00 C ATOM 143 C LYS A 31 -1.801 0.458 -7.236 1.00 0.00 C ATOM 144 O LYS A 31 -0.601 0.648 -7.013 1.00 0.00 O ATOM 145 CB LYS A 31 -2.309 2.429 -8.800 1.00 0.00 C ATOM 146 CG LYS A 31 -2.516 1.699 -10.163 1.00 0.00 C ATOM 147 CD LYS A 31 -1.416 0.657 -10.508 1.00 0.00 C ATOM 148 CE LYS A 31 -1.761 -0.192 -11.741 1.00 0.00 C ATOM 149 NZ LYS A 31 -3.008 -0.974 -11.538 1.00 0.00 N ATOM 0 H LYS A 31 -1.918 3.170 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.749 1.259 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.864 3.367 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.254 2.685 -8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.483 1.197 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.555 2.444 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.473 1.176 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.264 -0.000 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.876 0.457 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.937 -0.871 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.093 -1.692 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.977 -1.442 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.828 -0.336 -11.576 1.00 0.00 H new ATOM 163 N THR A 32 -2.371 -0.746 -7.210 1.00 0.00 N ATOM 164 CA THR A 32 -1.629 -2.001 -7.050 1.00 0.00 C ATOM 165 C THR A 32 -1.804 -2.832 -8.330 1.00 0.00 C ATOM 166 O THR A 32 -2.738 -2.572 -9.102 1.00 0.00 O ATOM 167 CB THR A 32 -2.146 -2.805 -5.801 1.00 0.00 C ATOM 168 OG1 THR A 32 -3.426 -3.393 -6.068 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.274 -1.906 -4.573 1.00 0.00 C ATOM 0 H THR A 32 -3.378 -0.882 -7.301 1.00 0.00 H new ATOM 0 HA THR A 32 -0.574 -1.782 -6.885 1.00 0.00 H new ATOM 0 HB THR A 32 -1.412 -3.586 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.038 -2.706 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.634 -2.493 -3.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.300 -1.480 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.980 -1.102 -4.783 1.00 0.00 H new ATOM 177 N PRO A 33 -0.912 -3.835 -8.603 1.00 0.00 N ATOM 178 CA PRO A 33 -1.100 -4.769 -9.744 1.00 0.00 C ATOM 179 C PRO A 33 -2.402 -5.610 -9.621 1.00 0.00 C ATOM 180 O PRO A 33 -2.845 -6.215 -10.598 1.00 0.00 O ATOM 181 CB PRO A 33 0.181 -5.643 -9.705 1.00 0.00 C ATOM 182 CG PRO A 33 0.693 -5.522 -8.300 1.00 0.00 C ATOM 183 CD PRO A 33 0.361 -4.115 -7.875 1.00 0.00 C ATOM 0 HA PRO A 33 -1.225 -4.250 -10.694 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.041 -6.680 -9.956 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.920 -5.292 -10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.219 -6.253 -7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.767 -5.703 -8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.233 -4.039 -6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.147 -3.413 -8.153 1.00 0.00 H new ATOM 191 N LYS A 34 -2.995 -5.617 -8.408 1.00 0.00 N ATOM 192 CA LYS A 34 -4.263 -6.307 -8.100 1.00 0.00 C ATOM 193 C LYS A 34 -5.436 -5.468 -8.644 1.00 0.00 C ATOM 194 O LYS A 34 -6.197 -5.904 -9.514 1.00 0.00 O ATOM 195 CB LYS A 34 -4.440 -6.493 -6.547 1.00 0.00 C ATOM 196 CG LYS A 34 -3.456 -7.459 -5.836 1.00 0.00 C ATOM 197 CD LYS A 34 -1.974 -7.035 -5.932 1.00 0.00 C ATOM 198 CE LYS A 34 -1.045 -7.885 -5.057 1.00 0.00 C ATOM 199 NZ LYS A 34 -1.365 -9.331 -5.118 1.00 0.00 N ATOM 0 H LYS A 34 -2.598 -5.134 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.247 -7.291 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.352 -5.514 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.454 -6.846 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.734 -7.534 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.566 -8.454 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.649 -7.105 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.882 -5.989 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.013 -7.732 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.115 -7.545 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.611 -9.873 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.269 -9.507 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.439 -9.629 -6.112 1.00 0.00 H new ATOM 213 N GLU A 35 -5.527 -4.236 -8.117 1.00 0.00 N ATOM 214 CA GLU A 35 -6.651 -3.308 -8.343 1.00 0.00 C ATOM 215 C GLU A 35 -6.277 -1.907 -7.830 1.00 0.00 C ATOM 216 O GLU A 35 -5.146 -1.676 -7.401 1.00 0.00 O ATOM 217 CB GLU A 35 -7.927 -3.814 -7.608 1.00 0.00 C ATOM 218 CG GLU A 35 -7.757 -3.988 -6.083 1.00 0.00 C ATOM 219 CD GLU A 35 -9.061 -4.353 -5.366 1.00 0.00 C ATOM 220 OE1 GLU A 35 -9.522 -5.504 -5.505 1.00 0.00 O ATOM 221 OE2 GLU A 35 -9.634 -3.499 -4.660 1.00 0.00 O ATOM 0 H GLU A 35 -4.806 -3.848 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.858 -3.260 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.741 -3.113 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.226 -4.769 -8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.016 -4.765 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.364 -3.063 -5.660 1.00 0.00 H new ATOM 228 N LYS A 36 -7.234 -0.972 -7.877 1.00 0.00 N ATOM 229 CA LYS A 36 -7.104 0.339 -7.218 1.00 0.00 C ATOM 230 C LYS A 36 -8.021 0.377 -5.984 1.00 0.00 C ATOM 231 O LYS A 36 -9.095 -0.244 -5.968 1.00 0.00 O ATOM 232 CB LYS A 36 -7.432 1.491 -8.202 1.00 0.00 C ATOM 233 CG LYS A 36 -8.876 1.488 -8.766 1.00 0.00 C ATOM 234 CD LYS A 36 -9.127 2.646 -9.756 1.00 0.00 C ATOM 235 CE LYS A 36 -8.969 4.032 -9.109 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.013 5.117 -10.120 1.00 0.00 N ATOM 0 H LYS A 36 -8.118 -1.099 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.072 0.480 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.259 2.440 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.733 1.444 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.065 0.539 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.585 1.560 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.433 2.560 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.133 2.555 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.762 4.184 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.023 4.076 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.903 6.037 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.241 4.985 -10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.926 5.091 -10.618 1.00 0.00 H new ATOM 250 N GLU A 37 -7.579 1.100 -4.952 1.00 0.00 N ATOM 251 CA GLU A 37 -8.298 1.216 -3.674 1.00 0.00 C ATOM 252 C GLU A 37 -8.054 2.606 -3.077 1.00 0.00 C ATOM 253 O GLU A 37 -7.054 3.240 -3.379 1.00 0.00 O ATOM 254 CB GLU A 37 -7.824 0.101 -2.701 1.00 0.00 C ATOM 255 CG GLU A 37 -8.504 0.085 -1.317 1.00 0.00 C ATOM 256 CD GLU A 37 -10.028 -0.160 -1.363 1.00 0.00 C ATOM 257 OE1 GLU A 37 -10.459 -1.330 -1.378 1.00 0.00 O ATOM 258 OE2 GLU A 37 -10.810 0.811 -1.366 1.00 0.00 O ATOM 0 H GLU A 37 -6.706 1.627 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.368 1.092 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.989 -0.865 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.749 0.205 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.041 -0.690 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.315 1.037 -0.821 1.00 0.00 H new ATOM 265 N GLU A 38 -8.982 3.070 -2.233 1.00 0.00 N ATOM 266 CA GLU A 38 -8.902 4.369 -1.576 1.00 0.00 C ATOM 267 C GLU A 38 -8.748 4.172 -0.063 1.00 0.00 C ATOM 268 O GLU A 38 -9.372 3.285 0.534 1.00 0.00 O ATOM 269 CB GLU A 38 -10.164 5.181 -1.913 1.00 0.00 C ATOM 270 CG GLU A 38 -10.210 6.596 -1.312 1.00 0.00 C ATOM 271 CD GLU A 38 -11.415 7.384 -1.823 1.00 0.00 C ATOM 272 OE1 GLU A 38 -12.522 7.224 -1.267 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.273 8.136 -2.806 1.00 0.00 O ATOM 0 H GLU A 38 -9.820 2.542 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.032 4.921 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.247 5.261 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.037 4.627 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.252 6.529 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.293 7.129 -1.563 1.00 0.00 H new ATOM 280 N PHE A 39 -7.903 5.014 0.536 1.00 0.00 N ATOM 281 CA PHE A 39 -7.583 5.005 1.970 1.00 0.00 C ATOM 282 C PHE A 39 -7.860 6.393 2.550 1.00 0.00 C ATOM 283 O PHE A 39 -7.999 7.366 1.806 1.00 0.00 O ATOM 284 CB PHE A 39 -6.103 4.607 2.198 1.00 0.00 C ATOM 285 CG PHE A 39 -5.781 3.192 1.728 1.00 0.00 C ATOM 286 CD1 PHE A 39 -5.971 2.102 2.571 1.00 0.00 C ATOM 287 CD2 PHE A 39 -5.309 2.954 0.438 1.00 0.00 C ATOM 288 CE1 PHE A 39 -5.710 0.818 2.139 1.00 0.00 C ATOM 289 CE2 PHE A 39 -5.043 1.667 0.007 1.00 0.00 C ATOM 290 CZ PHE A 39 -5.240 0.600 0.859 1.00 0.00 C ATOM 0 H PHE A 39 -7.407 5.743 0.024 1.00 0.00 H new ATOM 0 HA PHE A 39 -8.207 4.268 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.459 5.312 1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.870 4.692 3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.328 2.263 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.149 3.785 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.874 -0.018 2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.681 1.497 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.027 -0.405 0.525 1.00 0.00 H new ATOM 300 N ALA A 40 -7.948 6.471 3.876 1.00 0.00 N ATOM 301 CA ALA A 40 -8.246 7.713 4.593 1.00 0.00 C ATOM 302 C ALA A 40 -7.208 7.923 5.702 1.00 0.00 C ATOM 303 O ALA A 40 -7.152 7.147 6.660 1.00 0.00 O ATOM 304 CB ALA A 40 -9.671 7.629 5.156 1.00 0.00 C ATOM 0 H ALA A 40 -7.814 5.668 4.490 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.192 8.570 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.905 8.548 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.378 7.496 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.743 6.782 5.839 1.00 0.00 H new ATOM 310 N VAL A 41 -6.369 8.971 5.554 1.00 0.00 N ATOM 311 CA VAL A 41 -5.283 9.298 6.510 1.00 0.00 C ATOM 312 C VAL A 41 -5.329 10.795 6.877 1.00 0.00 C ATOM 313 O VAL A 41 -5.524 11.633 5.998 1.00 0.00 O ATOM 314 CB VAL A 41 -3.858 8.915 5.951 1.00 0.00 C ATOM 315 CG1 VAL A 41 -3.694 7.387 5.877 1.00 0.00 C ATOM 316 CG2 VAL A 41 -3.575 9.567 4.573 1.00 0.00 C ATOM 0 H VAL A 41 -6.424 9.617 4.767 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.449 8.700 7.406 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.121 9.311 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.704 7.146 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.807 6.960 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.454 6.971 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.583 9.274 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.322 9.234 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.621 10.652 4.668 1.00 0.00 H new ATOM 326 N PRO A 42 -5.207 11.163 8.192 1.00 0.00 N ATOM 327 CA PRO A 42 -5.318 12.573 8.662 1.00 0.00 C ATOM 328 C PRO A 42 -4.029 13.410 8.425 1.00 0.00 C ATOM 329 O PRO A 42 -3.528 14.048 9.352 1.00 0.00 O ATOM 330 CB PRO A 42 -5.618 12.372 10.168 1.00 0.00 C ATOM 331 CG PRO A 42 -4.847 11.142 10.528 1.00 0.00 C ATOM 332 CD PRO A 42 -4.990 10.228 9.335 1.00 0.00 C ATOM 0 HA PRO A 42 -6.074 13.146 8.124 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.297 13.231 10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.685 12.242 10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.800 11.375 10.723 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.244 10.678 11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.098 9.619 9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.829 9.542 9.455 1.00 0.00 H new ATOM 340 N GLU A 43 -3.509 13.379 7.167 1.00 0.00 N ATOM 341 CA GLU A 43 -2.347 14.189 6.652 1.00 0.00 C ATOM 342 C GLU A 43 -1.065 14.127 7.532 1.00 0.00 C ATOM 343 O GLU A 43 -0.116 14.890 7.311 1.00 0.00 O ATOM 344 CB GLU A 43 -2.760 15.677 6.383 1.00 0.00 C ATOM 345 CG GLU A 43 -2.994 16.543 7.642 1.00 0.00 C ATOM 346 CD GLU A 43 -3.335 17.999 7.333 1.00 0.00 C ATOM 347 OE1 GLU A 43 -4.501 18.293 7.031 1.00 0.00 O ATOM 348 OE2 GLU A 43 -2.434 18.861 7.382 1.00 0.00 O ATOM 0 H GLU A 43 -3.897 12.768 6.448 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.077 13.712 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.984 16.147 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.673 15.680 5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.803 16.106 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.099 16.513 8.264 1.00 0.00 H new ATOM 355 N ASN A 44 -1.024 13.193 8.487 1.00 0.00 N ATOM 356 CA ASN A 44 0.067 13.095 9.474 1.00 0.00 C ATOM 357 C ASN A 44 0.522 11.634 9.630 1.00 0.00 C ATOM 358 O ASN A 44 1.541 11.359 10.282 1.00 0.00 O ATOM 359 CB ASN A 44 -0.423 13.690 10.825 1.00 0.00 C ATOM 360 CG ASN A 44 0.669 13.838 11.893 1.00 0.00 C ATOM 361 OD1 ASN A 44 1.839 14.069 11.585 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.290 13.719 13.159 1.00 0.00 N ATOM 0 H ASN A 44 -1.745 12.481 8.602 1.00 0.00 H new ATOM 0 HA ASN A 44 0.931 13.665 9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.864 14.669 10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.215 13.055 11.220 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.975 13.819 13.908 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.686 13.527 13.383 1.00 0.00 H new ATOM 369 N SER A 45 -0.241 10.699 9.027 1.00 0.00 N ATOM 370 CA SER A 45 0.109 9.280 9.020 1.00 0.00 C ATOM 371 C SER A 45 1.382 9.042 8.192 1.00 0.00 C ATOM 372 O SER A 45 1.507 9.524 7.059 1.00 0.00 O ATOM 373 CB SER A 45 -1.058 8.435 8.464 1.00 0.00 C ATOM 374 OG SER A 45 -2.237 8.640 9.216 1.00 0.00 O ATOM 0 H SER A 45 -1.109 10.913 8.537 1.00 0.00 H new ATOM 0 HA SER A 45 0.301 8.971 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.237 8.698 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.789 7.379 8.484 1.00 0.00 H new ATOM 0 HG SER A 45 -2.934 8.026 8.905 1.00 0.00 H new ATOM 380 N SER A 46 2.332 8.343 8.802 1.00 0.00 N ATOM 381 CA SER A 46 3.529 7.851 8.133 1.00 0.00 C ATOM 382 C SER A 46 3.196 6.578 7.350 1.00 0.00 C ATOM 383 O SER A 46 2.091 6.039 7.485 1.00 0.00 O ATOM 384 CB SER A 46 4.621 7.604 9.191 1.00 0.00 C ATOM 385 OG SER A 46 4.795 8.746 10.018 1.00 0.00 O ATOM 0 H SER A 46 2.291 8.099 9.791 1.00 0.00 H new ATOM 0 HA SER A 46 3.900 8.586 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.351 6.744 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.562 7.361 8.698 1.00 0.00 H new ATOM 0 HG SER A 46 5.492 8.565 10.683 1.00 0.00 H new ATOM 391 N VAL A 47 4.139 6.097 6.529 1.00 0.00 N ATOM 392 CA VAL A 47 3.960 4.837 5.786 1.00 0.00 C ATOM 393 C VAL A 47 3.893 3.649 6.770 1.00 0.00 C ATOM 394 O VAL A 47 3.175 2.689 6.520 1.00 0.00 O ATOM 395 CB VAL A 47 5.074 4.629 4.707 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.920 3.278 3.959 1.00 0.00 C ATOM 397 CG2 VAL A 47 5.104 5.819 3.710 1.00 0.00 C ATOM 0 H VAL A 47 5.033 6.558 6.361 1.00 0.00 H new ATOM 0 HA VAL A 47 3.015 4.894 5.246 1.00 0.00 H new ATOM 0 HB VAL A 47 6.029 4.594 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.715 3.178 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.983 2.457 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.953 3.248 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.886 5.653 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.139 5.898 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.308 6.743 4.252 1.00 0.00 H new ATOM 407 N GLN A 48 4.606 3.757 7.915 1.00 0.00 N ATOM 408 CA GLN A 48 4.479 2.800 9.043 1.00 0.00 C ATOM 409 C GLN A 48 3.041 2.712 9.590 1.00 0.00 C ATOM 410 O GLN A 48 2.657 1.686 10.133 1.00 0.00 O ATOM 411 CB GLN A 48 5.460 3.121 10.203 1.00 0.00 C ATOM 412 CG GLN A 48 5.386 4.544 10.771 1.00 0.00 C ATOM 413 CD GLN A 48 6.384 4.804 11.907 1.00 0.00 C ATOM 414 OE1 GLN A 48 6.718 3.907 12.676 1.00 0.00 O ATOM 415 NE2 GLN A 48 6.880 6.023 12.009 1.00 0.00 N ATOM 0 H GLN A 48 5.281 4.503 8.084 1.00 0.00 H new ATOM 0 HA GLN A 48 4.743 1.829 8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.275 2.417 11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.477 2.943 9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.569 5.257 9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.376 4.728 11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.585 6.750 11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.558 6.238 12.740 1.00 0.00 H new ATOM 424 N GLN A 49 2.275 3.803 9.464 1.00 0.00 N ATOM 425 CA GLN A 49 0.865 3.866 9.904 1.00 0.00 C ATOM 426 C GLN A 49 -0.099 3.528 8.743 1.00 0.00 C ATOM 427 O GLN A 49 -1.232 3.092 8.966 1.00 0.00 O ATOM 428 CB GLN A 49 0.571 5.290 10.452 1.00 0.00 C ATOM 429 CG GLN A 49 1.455 5.698 11.649 1.00 0.00 C ATOM 430 CD GLN A 49 1.199 7.126 12.141 1.00 0.00 C ATOM 431 OE1 GLN A 49 1.845 8.072 11.695 1.00 0.00 O ATOM 432 NE2 GLN A 49 0.248 7.297 13.044 1.00 0.00 N ATOM 0 H GLN A 49 2.612 4.673 9.053 1.00 0.00 H new ATOM 0 HA GLN A 49 0.706 3.127 10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.710 6.013 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.476 5.344 10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.283 5.003 12.471 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.503 5.603 11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.272 6.493 13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.034 8.233 13.388 1.00 0.00 H new ATOM 441 N PHE A 50 0.390 3.708 7.512 1.00 0.00 N ATOM 442 CA PHE A 50 -0.429 3.655 6.284 1.00 0.00 C ATOM 443 C PHE A 50 -0.522 2.219 5.732 1.00 0.00 C ATOM 444 O PHE A 50 -1.598 1.770 5.327 1.00 0.00 O ATOM 445 CB PHE A 50 0.178 4.622 5.230 1.00 0.00 C ATOM 446 CG PHE A 50 -0.600 4.743 3.916 1.00 0.00 C ATOM 447 CD1 PHE A 50 -1.917 5.182 3.909 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.011 4.435 2.695 1.00 0.00 C ATOM 449 CE1 PHE A 50 -2.621 5.308 2.730 1.00 0.00 C ATOM 450 CE2 PHE A 50 -0.715 4.561 1.511 1.00 0.00 C ATOM 451 CZ PHE A 50 -2.021 4.999 1.532 1.00 0.00 C ATOM 0 H PHE A 50 1.376 3.897 7.332 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.446 3.969 6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.258 5.613 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.192 4.292 5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.399 5.429 4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.013 4.092 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.645 5.650 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.242 4.316 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.573 5.100 0.609 1.00 0.00 H new ATOM 461 N LYS A 51 0.618 1.502 5.731 1.00 0.00 N ATOM 462 CA LYS A 51 0.702 0.126 5.198 1.00 0.00 C ATOM 463 C LYS A 51 -0.022 -0.875 6.137 1.00 0.00 C ATOM 464 O LYS A 51 -0.330 -1.994 5.749 1.00 0.00 O ATOM 465 CB LYS A 51 2.189 -0.263 4.864 1.00 0.00 C ATOM 466 CG LYS A 51 3.007 -1.061 5.912 1.00 0.00 C ATOM 467 CD LYS A 51 3.181 -0.371 7.287 1.00 0.00 C ATOM 468 CE LYS A 51 4.277 -1.043 8.138 1.00 0.00 C ATOM 469 NZ LYS A 51 4.306 -0.541 9.532 1.00 0.00 N ATOM 0 H LYS A 51 1.502 1.856 6.097 1.00 0.00 H new ATOM 0 HA LYS A 51 0.170 0.077 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.179 -0.844 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.732 0.659 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.523 -2.025 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.995 -1.263 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.432 0.679 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.235 -0.398 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.114 -2.121 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.248 -0.871 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.282 -0.291 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.700 0.301 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.956 -1.280 10.175 1.00 0.00 H new ATOM 483 N GLU A 52 -0.280 -0.430 7.382 1.00 0.00 N ATOM 484 CA GLU A 52 -1.141 -1.145 8.349 1.00 0.00 C ATOM 485 C GLU A 52 -2.590 -1.210 7.828 1.00 0.00 C ATOM 486 O GLU A 52 -3.281 -2.226 7.970 1.00 0.00 O ATOM 487 CB GLU A 52 -1.104 -0.412 9.713 1.00 0.00 C ATOM 488 CG GLU A 52 0.303 -0.257 10.308 1.00 0.00 C ATOM 489 CD GLU A 52 0.910 -1.565 10.836 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.378 -2.128 11.812 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.934 -2.028 10.293 1.00 0.00 O ATOM 0 H GLU A 52 0.105 0.441 7.749 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.769 -2.162 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.546 0.577 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.728 -0.956 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.964 0.156 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.264 0.467 11.122 1.00 0.00 H new ATOM 498 N GLU A 53 -3.034 -0.089 7.241 1.00 0.00 N ATOM 499 CA GLU A 53 -4.359 0.030 6.613 1.00 0.00 C ATOM 500 C GLU A 53 -4.420 -0.760 5.301 1.00 0.00 C ATOM 501 O GLU A 53 -5.479 -1.270 4.922 1.00 0.00 O ATOM 502 CB GLU A 53 -4.704 1.525 6.369 1.00 0.00 C ATOM 503 CG GLU A 53 -4.840 2.364 7.654 1.00 0.00 C ATOM 504 CD GLU A 53 -5.870 1.769 8.642 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.082 1.784 8.336 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.467 1.245 9.709 1.00 0.00 O ATOM 0 H GLU A 53 -2.481 0.766 7.188 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.099 -0.394 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.930 1.966 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.638 1.583 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.869 2.433 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.137 3.379 7.392 1.00 0.00 H new ATOM 513 N ILE A 54 -3.271 -0.850 4.618 1.00 0.00 N ATOM 514 CA ILE A 54 -3.145 -1.609 3.368 1.00 0.00 C ATOM 515 C ILE A 54 -3.177 -3.136 3.633 1.00 0.00 C ATOM 516 O ILE A 54 -3.752 -3.874 2.848 1.00 0.00 O ATOM 517 CB ILE A 54 -1.833 -1.227 2.591 1.00 0.00 C ATOM 518 CG1 ILE A 54 -1.801 0.301 2.239 1.00 0.00 C ATOM 519 CG2 ILE A 54 -1.659 -2.092 1.322 1.00 0.00 C ATOM 520 CD1 ILE A 54 -0.523 0.771 1.556 1.00 0.00 C ATOM 0 H ILE A 54 -2.405 -0.400 4.916 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.001 -1.345 2.747 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.991 -1.433 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.648 0.528 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.938 0.874 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.743 -1.803 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.601 -3.143 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.511 -1.940 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.592 1.839 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.329 0.581 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.391 0.230 0.619 1.00 0.00 H new ATOM 532 N SER A 55 -2.563 -3.594 4.744 1.00 0.00 N ATOM 533 CA SER A 55 -2.423 -5.045 5.044 1.00 0.00 C ATOM 534 C SER A 55 -3.783 -5.721 5.292 1.00 0.00 C ATOM 535 O SER A 55 -3.976 -6.886 4.938 1.00 0.00 O ATOM 536 CB SER A 55 -1.492 -5.257 6.257 1.00 0.00 C ATOM 537 OG SER A 55 -1.978 -4.575 7.396 1.00 0.00 O ATOM 0 H SER A 55 -2.154 -2.984 5.452 1.00 0.00 H new ATOM 0 HA SER A 55 -1.981 -5.515 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.409 -6.322 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.490 -4.902 6.017 1.00 0.00 H new ATOM 0 HG SER A 55 -2.528 -3.815 7.112 1.00 0.00 H new ATOM 543 N LYS A 56 -4.712 -4.985 5.917 1.00 0.00 N ATOM 544 CA LYS A 56 -6.076 -5.487 6.181 1.00 0.00 C ATOM 545 C LYS A 56 -6.965 -5.384 4.924 1.00 0.00 C ATOM 546 O LYS A 56 -7.897 -6.176 4.740 1.00 0.00 O ATOM 547 CB LYS A 56 -6.723 -4.715 7.360 1.00 0.00 C ATOM 548 CG LYS A 56 -6.873 -3.191 7.136 1.00 0.00 C ATOM 549 CD LYS A 56 -7.625 -2.474 8.282 1.00 0.00 C ATOM 550 CE LYS A 56 -6.856 -2.450 9.615 1.00 0.00 C ATOM 551 NZ LYS A 56 -5.604 -1.658 9.532 1.00 0.00 N ATOM 0 H LYS A 56 -4.547 -4.036 6.252 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.995 -6.540 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.709 -5.138 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.123 -4.879 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.883 -2.748 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.404 -3.019 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.837 -1.449 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.585 -2.966 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.496 -2.033 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.618 -3.471 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.080 -1.742 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.017 -2.017 8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.836 -0.659 9.359 1.00 0.00 H new ATOM 565 N ARG A 57 -6.653 -4.397 4.069 1.00 0.00 N ATOM 566 CA ARG A 57 -7.451 -4.064 2.874 1.00 0.00 C ATOM 567 C ARG A 57 -7.132 -5.080 1.759 1.00 0.00 C ATOM 568 O ARG A 57 -8.020 -5.719 1.184 1.00 0.00 O ATOM 569 CB ARG A 57 -7.114 -2.610 2.429 1.00 0.00 C ATOM 570 CG ARG A 57 -8.221 -1.888 1.645 1.00 0.00 C ATOM 571 CD ARG A 57 -9.450 -1.563 2.515 1.00 0.00 C ATOM 572 NE ARG A 57 -10.421 -0.731 1.781 1.00 0.00 N ATOM 573 CZ ARG A 57 -11.036 0.361 2.259 1.00 0.00 C ATOM 574 NH1 ARG A 57 -10.897 0.736 3.529 1.00 0.00 N ATOM 575 NH2 ARG A 57 -11.814 1.077 1.457 1.00 0.00 N ATOM 0 H ARG A 57 -5.833 -3.802 4.187 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.517 -4.118 3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.878 -2.022 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.214 -2.635 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.821 -0.964 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.530 -2.510 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.929 -2.489 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.131 -1.043 3.418 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.645 -1.010 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.313 0.189 4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.375 1.570 3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.941 0.796 0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.285 1.909 1.813 1.00 0.00 H new ATOM 589 N PHE A 58 -5.829 -5.196 1.496 1.00 0.00 N ATOM 590 CA PHE A 58 -5.209 -6.235 0.686 1.00 0.00 C ATOM 591 C PHE A 58 -4.574 -7.213 1.677 1.00 0.00 C ATOM 592 O PHE A 58 -3.480 -6.949 2.182 1.00 0.00 O ATOM 593 CB PHE A 58 -4.111 -5.648 -0.255 1.00 0.00 C ATOM 594 CG PHE A 58 -4.585 -4.552 -1.200 1.00 0.00 C ATOM 595 CD1 PHE A 58 -4.603 -3.217 -0.795 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.989 -4.854 -2.499 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.014 -2.223 -1.655 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.401 -3.860 -3.357 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.412 -2.544 -2.939 1.00 0.00 C ATOM 0 H PHE A 58 -5.147 -4.532 1.863 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.948 -6.716 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.303 -5.251 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.691 -6.460 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.290 -2.960 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.979 -5.880 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.025 -1.194 -1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.716 -4.110 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.732 -1.765 -3.616 1.00 0.00 H new ATOM 609 N LYS A 59 -5.356 -8.243 2.037 1.00 0.00 N ATOM 610 CA LYS A 59 -4.942 -9.401 2.887 1.00 0.00 C ATOM 611 C LYS A 59 -3.524 -9.947 2.540 1.00 0.00 C ATOM 612 O LYS A 59 -3.372 -10.954 1.835 1.00 0.00 O ATOM 613 CB LYS A 59 -6.010 -10.539 2.780 1.00 0.00 C ATOM 614 CG LYS A 59 -7.487 -10.097 3.048 1.00 0.00 C ATOM 615 CD LYS A 59 -8.016 -10.263 4.507 1.00 0.00 C ATOM 616 CE LYS A 59 -7.197 -9.546 5.602 1.00 0.00 C ATOM 617 NZ LYS A 59 -6.080 -10.392 6.108 1.00 0.00 N ATOM 0 H LYS A 59 -6.330 -8.307 1.741 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.882 -9.039 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.954 -10.975 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.750 -11.327 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.584 -9.048 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.138 -10.665 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.041 -9.895 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.050 -11.327 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.794 -8.615 5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.854 -9.280 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.173 -10.511 7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.114 -11.324 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.172 -9.933 5.893 1.00 0.00 H new ATOM 631 N SER A 60 -2.508 -9.237 3.048 1.00 0.00 N ATOM 632 CA SER A 60 -1.079 -9.566 2.911 1.00 0.00 C ATOM 633 C SER A 60 -0.325 -9.036 4.134 1.00 0.00 C ATOM 634 O SER A 60 -0.873 -8.252 4.930 1.00 0.00 O ATOM 635 CB SER A 60 -0.475 -8.961 1.611 1.00 0.00 C ATOM 636 OG SER A 60 -0.986 -9.588 0.454 1.00 0.00 O ATOM 0 H SER A 60 -2.663 -8.385 3.587 1.00 0.00 H new ATOM 0 HA SER A 60 -0.978 -10.649 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.692 -7.894 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.610 -9.065 1.632 1.00 0.00 H new ATOM 0 HG SER A 60 -1.697 -10.213 0.708 1.00 0.00 H new ATOM 642 N HIS A 61 0.936 -9.472 4.277 1.00 0.00 N ATOM 643 CA HIS A 61 1.812 -9.041 5.378 1.00 0.00 C ATOM 644 C HIS A 61 2.397 -7.653 5.044 1.00 0.00 C ATOM 645 O HIS A 61 2.650 -7.366 3.874 1.00 0.00 O ATOM 646 CB HIS A 61 2.933 -10.095 5.605 1.00 0.00 C ATOM 647 CG HIS A 61 3.741 -9.887 6.865 1.00 0.00 C ATOM 648 ND1 HIS A 61 3.161 -9.746 8.106 1.00 0.00 N ATOM 649 CD2 HIS A 61 5.075 -9.790 7.071 1.00 0.00 C ATOM 650 CE1 HIS A 61 4.097 -9.571 9.011 1.00 0.00 C ATOM 651 NE2 HIS A 61 5.267 -9.593 8.411 1.00 0.00 N ATOM 0 H HIS A 61 1.376 -10.131 3.635 1.00 0.00 H new ATOM 0 HA HIS A 61 1.242 -8.961 6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.481 -11.086 5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.608 -10.080 4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.845 -9.856 6.317 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.933 -9.432 10.069 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.171 -9.481 8.870 1.00 0.00 H new ATOM 660 N THR A 62 2.607 -6.808 6.071 1.00 0.00 N ATOM 661 CA THR A 62 3.089 -5.420 5.900 1.00 0.00 C ATOM 662 C THR A 62 4.464 -5.342 5.188 1.00 0.00 C ATOM 663 O THR A 62 4.735 -4.376 4.473 1.00 0.00 O ATOM 664 CB THR A 62 3.129 -4.679 7.277 1.00 0.00 C ATOM 665 OG1 THR A 62 3.677 -5.549 8.285 1.00 0.00 O ATOM 666 CG2 THR A 62 1.733 -4.195 7.723 1.00 0.00 C ATOM 0 H THR A 62 2.448 -7.067 7.045 1.00 0.00 H new ATOM 0 HA THR A 62 2.376 -4.916 5.248 1.00 0.00 H new ATOM 0 HB THR A 62 3.761 -3.800 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.701 -5.079 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.814 -3.687 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.333 -3.505 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.065 -5.051 7.820 1.00 0.00 H new ATOM 674 N ASP A 63 5.299 -6.384 5.376 1.00 0.00 N ATOM 675 CA ASP A 63 6.619 -6.509 4.708 1.00 0.00 C ATOM 676 C ASP A 63 6.485 -6.660 3.171 1.00 0.00 C ATOM 677 O ASP A 63 7.363 -6.220 2.422 1.00 0.00 O ATOM 678 CB ASP A 63 7.402 -7.709 5.309 1.00 0.00 C ATOM 679 CG ASP A 63 8.770 -7.963 4.647 1.00 0.00 C ATOM 680 OD1 ASP A 63 9.659 -7.095 4.747 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.954 -9.019 4.000 1.00 0.00 O ATOM 0 H ASP A 63 5.081 -7.165 5.995 1.00 0.00 H new ATOM 0 HA ASP A 63 7.172 -5.588 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.553 -7.534 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.793 -8.609 5.217 1.00 0.00 H new ATOM 686 N GLN A 64 5.373 -7.263 2.710 1.00 0.00 N ATOM 687 CA GLN A 64 5.102 -7.477 1.265 1.00 0.00 C ATOM 688 C GLN A 64 4.752 -6.149 0.553 1.00 0.00 C ATOM 689 O GLN A 64 4.897 -6.030 -0.669 1.00 0.00 O ATOM 690 CB GLN A 64 3.940 -8.497 1.082 1.00 0.00 C ATOM 691 CG GLN A 64 4.202 -9.905 1.651 1.00 0.00 C ATOM 692 CD GLN A 64 5.381 -10.615 0.982 1.00 0.00 C ATOM 693 OE1 GLN A 64 6.517 -10.537 1.446 1.00 0.00 O ATOM 694 NE2 GLN A 64 5.120 -11.285 -0.130 1.00 0.00 N ATOM 0 H GLN A 64 4.637 -7.616 3.321 1.00 0.00 H new ATOM 0 HA GLN A 64 6.009 -7.876 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.046 -8.092 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.723 -8.588 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.393 -9.828 2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.305 -10.512 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.165 -11.329 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.874 -11.757 -0.630 1.00 0.00 H new ATOM 703 N LEU A 65 4.298 -5.162 1.343 1.00 0.00 N ATOM 704 CA LEU A 65 3.750 -3.892 0.843 1.00 0.00 C ATOM 705 C LEU A 65 4.866 -2.831 0.713 1.00 0.00 C ATOM 706 O LEU A 65 5.317 -2.283 1.729 1.00 0.00 O ATOM 707 CB LEU A 65 2.654 -3.387 1.838 1.00 0.00 C ATOM 708 CG LEU A 65 1.660 -4.461 2.381 1.00 0.00 C ATOM 709 CD1 LEU A 65 0.777 -3.882 3.493 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.803 -5.082 1.265 1.00 0.00 C ATOM 0 H LEU A 65 4.302 -5.226 2.361 1.00 0.00 H new ATOM 0 HA LEU A 65 3.314 -4.053 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.153 -2.923 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.076 -2.607 1.342 1.00 0.00 H new ATOM 0 HG LEU A 65 2.263 -5.265 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.094 -4.651 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.405 -3.540 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.203 -3.042 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.128 -5.823 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.221 -4.301 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.452 -5.563 0.533 1.00 0.00 H new ATOM 722 N VAL A 66 5.327 -2.547 -0.525 1.00 0.00 N ATOM 723 CA VAL A 66 6.271 -1.432 -0.782 1.00 0.00 C ATOM 724 C VAL A 66 5.621 -0.395 -1.720 1.00 0.00 C ATOM 725 O VAL A 66 5.208 -0.717 -2.838 1.00 0.00 O ATOM 726 CB VAL A 66 7.671 -1.922 -1.350 1.00 0.00 C ATOM 727 CG1 VAL A 66 8.448 -2.736 -0.283 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.527 -2.738 -2.659 1.00 0.00 C ATOM 0 H VAL A 66 5.063 -3.071 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 66 6.485 -0.962 0.178 1.00 0.00 H new ATOM 0 HB VAL A 66 8.242 -1.026 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.403 -3.060 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.625 -2.112 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.863 -3.609 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.513 -3.049 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.914 -3.620 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.053 -2.121 -3.422 1.00 0.00 H new ATOM 738 N LEU A 67 5.483 0.843 -1.225 1.00 0.00 N ATOM 739 CA LEU A 67 5.013 1.985 -2.027 1.00 0.00 C ATOM 740 C LEU A 67 6.204 2.525 -2.818 1.00 0.00 C ATOM 741 O LEU A 67 7.334 2.390 -2.378 1.00 0.00 O ATOM 742 CB LEU A 67 4.469 3.102 -1.111 1.00 0.00 C ATOM 743 CG LEU A 67 3.280 2.746 -0.173 1.00 0.00 C ATOM 744 CD1 LEU A 67 3.000 3.904 0.802 1.00 0.00 C ATOM 745 CD2 LEU A 67 2.006 2.389 -0.972 1.00 0.00 C ATOM 0 H LEU A 67 5.694 1.083 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 67 4.213 1.662 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.291 3.459 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.161 3.935 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 67 3.565 1.863 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.165 3.639 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.886 4.091 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.750 4.802 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.199 2.147 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.713 3.239 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.206 1.529 -1.611 1.00 0.00 H new ATOM 757 N ILE A 68 5.949 3.108 -3.990 1.00 0.00 N ATOM 758 CA ILE A 68 6.987 3.709 -4.846 1.00 0.00 C ATOM 759 C ILE A 68 6.546 5.130 -5.211 1.00 0.00 C ATOM 760 O ILE A 68 5.402 5.343 -5.640 1.00 0.00 O ATOM 761 CB ILE A 68 7.294 2.876 -6.168 1.00 0.00 C ATOM 762 CG1 ILE A 68 7.971 1.488 -5.845 1.00 0.00 C ATOM 763 CG2 ILE A 68 8.172 3.692 -7.172 1.00 0.00 C ATOM 764 CD1 ILE A 68 7.031 0.363 -5.426 1.00 0.00 C ATOM 0 H ILE A 68 5.009 3.180 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 68 7.918 3.713 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 68 6.333 2.677 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.523 1.163 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.701 1.639 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.361 3.091 -8.062 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.648 4.605 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.120 3.949 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.609 -0.540 -5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.495 0.654 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.316 0.170 -6.225 1.00 0.00 H new ATOM 776 N PHE A 69 7.471 6.076 -5.019 1.00 0.00 N ATOM 777 CA PHE A 69 7.294 7.497 -5.338 1.00 0.00 C ATOM 778 C PHE A 69 8.671 8.181 -5.241 1.00 0.00 C ATOM 779 O PHE A 69 9.481 7.803 -4.389 1.00 0.00 O ATOM 780 CB PHE A 69 6.277 8.167 -4.366 1.00 0.00 C ATOM 781 CG PHE A 69 5.826 9.572 -4.781 1.00 0.00 C ATOM 782 CD1 PHE A 69 6.531 10.709 -4.386 1.00 0.00 C ATOM 783 CD2 PHE A 69 4.692 9.749 -5.577 1.00 0.00 C ATOM 784 CE1 PHE A 69 6.119 11.967 -4.772 1.00 0.00 C ATOM 785 CE2 PHE A 69 4.279 11.012 -5.958 1.00 0.00 C ATOM 786 CZ PHE A 69 4.995 12.121 -5.555 1.00 0.00 C ATOM 0 H PHE A 69 8.389 5.869 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 69 6.891 7.602 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.398 7.527 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.725 8.222 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.411 10.603 -3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.129 8.886 -5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.679 12.836 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.397 11.131 -6.570 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.675 13.109 -5.853 1.00 0.00 H new ATOM 796 N ALA A 70 8.920 9.172 -6.122 1.00 0.00 N ATOM 797 CA ALA A 70 10.185 9.953 -6.165 1.00 0.00 C ATOM 798 C ALA A 70 11.405 9.074 -6.537 1.00 0.00 C ATOM 799 O ALA A 70 12.552 9.425 -6.221 1.00 0.00 O ATOM 800 CB ALA A 70 10.413 10.719 -4.836 1.00 0.00 C ATOM 0 H ALA A 70 8.246 9.459 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 70 10.081 10.691 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.345 11.281 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.585 11.407 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.470 10.008 -4.012 1.00 0.00 H new ATOM 806 N GLY A 71 11.139 7.950 -7.238 1.00 0.00 N ATOM 807 CA GLY A 71 12.188 7.024 -7.686 1.00 0.00 C ATOM 808 C GLY A 71 12.730 6.123 -6.575 1.00 0.00 C ATOM 809 O GLY A 71 13.792 5.508 -6.727 1.00 0.00 O ATOM 0 H GLY A 71 10.196 7.666 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.791 6.400 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.012 7.599 -8.109 1.00 0.00 H new ATOM 813 N LYS A 72 11.984 6.034 -5.459 1.00 0.00 N ATOM 814 CA LYS A 72 12.368 5.242 -4.274 1.00 0.00 C ATOM 815 C LYS A 72 11.133 4.569 -3.666 1.00 0.00 C ATOM 816 O LYS A 72 9.997 4.904 -4.009 1.00 0.00 O ATOM 817 CB LYS A 72 13.138 6.133 -3.238 1.00 0.00 C ATOM 818 CG LYS A 72 12.476 7.485 -2.841 1.00 0.00 C ATOM 819 CD LYS A 72 11.354 7.358 -1.780 1.00 0.00 C ATOM 820 CE LYS A 72 11.842 6.811 -0.431 1.00 0.00 C ATOM 821 NZ LYS A 72 12.835 7.689 0.218 1.00 0.00 N ATOM 0 H LYS A 72 11.090 6.513 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 72 13.053 4.450 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.284 5.548 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.127 6.346 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.246 8.155 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.063 7.950 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.901 8.337 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.572 6.704 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.988 6.683 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.280 5.824 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.719 7.162 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.021 8.512 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.466 8.013 1.135 1.00 0.00 H new ATOM 835 N ILE A 73 11.377 3.622 -2.749 1.00 0.00 N ATOM 836 CA ILE A 73 10.316 2.900 -2.038 1.00 0.00 C ATOM 837 C ILE A 73 10.000 3.617 -0.714 1.00 0.00 C ATOM 838 O ILE A 73 10.888 3.815 0.124 1.00 0.00 O ATOM 839 CB ILE A 73 10.626 1.359 -1.781 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.959 1.095 -0.980 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.616 0.579 -3.114 1.00 0.00 C ATOM 842 CD1 ILE A 73 13.263 1.204 -1.766 1.00 0.00 C ATOM 0 H ILE A 73 12.318 3.336 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 73 9.446 2.911 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 73 9.825 0.992 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.002 1.799 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.904 0.096 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.829 -0.472 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.636 0.671 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.376 0.988 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.105 1.001 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.259 0.480 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.358 2.210 -2.176 1.00 0.00 H new ATOM 854 N LEU A 74 8.739 4.061 -0.569 1.00 0.00 N ATOM 855 CA LEU A 74 8.250 4.714 0.652 1.00 0.00 C ATOM 856 C LEU A 74 8.179 3.677 1.783 1.00 0.00 C ATOM 857 O LEU A 74 7.411 2.701 1.703 1.00 0.00 O ATOM 858 CB LEU A 74 6.853 5.363 0.438 1.00 0.00 C ATOM 859 CG LEU A 74 6.688 6.295 -0.801 1.00 0.00 C ATOM 860 CD1 LEU A 74 5.262 6.893 -0.862 1.00 0.00 C ATOM 861 CD2 LEU A 74 7.765 7.396 -0.832 1.00 0.00 C ATOM 0 H LEU A 74 8.031 3.976 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 74 8.944 5.512 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.116 4.563 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.607 5.939 1.330 1.00 0.00 H new ATOM 0 HG LEU A 74 6.829 5.684 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.175 7.539 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.532 6.087 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.073 7.475 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.617 8.025 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.688 8.005 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.753 6.937 -0.877 1.00 0.00 H new ATOM 873 N LYS A 75 9.021 3.876 2.800 1.00 0.00 N ATOM 874 CA LYS A 75 9.137 2.970 3.953 1.00 0.00 C ATOM 875 C LYS A 75 8.652 3.654 5.236 1.00 0.00 C ATOM 876 O LYS A 75 8.174 4.788 5.194 1.00 0.00 O ATOM 877 CB LYS A 75 10.609 2.491 4.092 1.00 0.00 C ATOM 878 CG LYS A 75 11.143 1.700 2.872 1.00 0.00 C ATOM 879 CD LYS A 75 10.327 0.422 2.563 1.00 0.00 C ATOM 880 CE LYS A 75 10.331 -0.594 3.720 1.00 0.00 C ATOM 881 NZ LYS A 75 9.583 -1.829 3.377 1.00 0.00 N ATOM 0 H LYS A 75 9.649 4.678 2.850 1.00 0.00 H new ATOM 0 HA LYS A 75 8.501 2.100 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.247 3.360 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.692 1.865 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.134 2.348 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.182 1.424 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.298 0.701 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.732 -0.053 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.359 -0.851 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.890 -0.137 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.610 -2.486 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.595 -1.588 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.019 -2.280 2.547 1.00 0.00 H new ATOM 895 N ASP A 76 8.799 2.951 6.368 1.00 0.00 N ATOM 896 CA ASP A 76 8.327 3.398 7.703 1.00 0.00 C ATOM 897 C ASP A 76 8.919 4.768 8.122 1.00 0.00 C ATOM 898 O ASP A 76 8.305 5.511 8.897 1.00 0.00 O ATOM 899 CB ASP A 76 8.680 2.314 8.759 1.00 0.00 C ATOM 900 CG ASP A 76 8.013 0.945 8.480 1.00 0.00 C ATOM 901 OD1 ASP A 76 8.272 0.361 7.406 1.00 0.00 O ATOM 902 OD2 ASP A 76 7.247 0.438 9.335 1.00 0.00 O ATOM 0 H ASP A 76 9.256 2.039 6.391 1.00 0.00 H new ATOM 0 HA ASP A 76 7.247 3.532 7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.762 2.184 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.375 2.665 9.745 1.00 0.00 H new ATOM 907 N GLN A 77 10.113 5.072 7.585 1.00 0.00 N ATOM 908 CA GLN A 77 10.838 6.345 7.815 1.00 0.00 C ATOM 909 C GLN A 77 10.208 7.524 7.030 1.00 0.00 C ATOM 910 O GLN A 77 10.316 8.684 7.445 1.00 0.00 O ATOM 911 CB GLN A 77 12.328 6.163 7.423 1.00 0.00 C ATOM 912 CG GLN A 77 12.560 5.654 5.980 1.00 0.00 C ATOM 913 CD GLN A 77 14.032 5.380 5.648 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.940 6.014 6.189 1.00 0.00 O ATOM 915 NE2 GLN A 77 14.281 4.451 4.741 1.00 0.00 N ATOM 0 H GLN A 77 10.614 4.433 6.968 1.00 0.00 H new ATOM 0 HA GLN A 77 10.763 6.594 8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.840 7.117 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.790 5.463 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.988 4.738 5.832 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.170 6.391 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.511 3.941 4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.243 4.244 4.474 1.00 0.00 H new ATOM 924 N ASP A 78 9.568 7.208 5.893 1.00 0.00 N ATOM 925 CA ASP A 78 8.846 8.187 5.054 1.00 0.00 C ATOM 926 C ASP A 78 7.402 8.323 5.545 1.00 0.00 C ATOM 927 O ASP A 78 6.868 7.428 6.216 1.00 0.00 O ATOM 928 CB ASP A 78 8.808 7.732 3.560 1.00 0.00 C ATOM 929 CG ASP A 78 10.195 7.522 2.949 1.00 0.00 C ATOM 930 OD1 ASP A 78 10.746 6.406 3.060 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.751 8.470 2.359 1.00 0.00 O ATOM 0 H ASP A 78 9.535 6.258 5.524 1.00 0.00 H new ATOM 0 HA ASP A 78 9.373 9.138 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.243 6.803 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.271 8.479 2.975 1.00 0.00 H new ATOM 936 N THR A 79 6.771 9.457 5.211 1.00 0.00 N ATOM 937 CA THR A 79 5.312 9.601 5.257 1.00 0.00 C ATOM 938 C THR A 79 4.854 9.909 3.822 1.00 0.00 C ATOM 939 O THR A 79 5.587 10.568 3.069 1.00 0.00 O ATOM 940 CB THR A 79 4.826 10.724 6.263 1.00 0.00 C ATOM 941 OG1 THR A 79 4.818 12.005 5.655 1.00 0.00 O ATOM 942 CG2 THR A 79 5.703 10.809 7.522 1.00 0.00 C ATOM 0 H THR A 79 7.258 10.298 4.902 1.00 0.00 H new ATOM 0 HA THR A 79 4.868 8.679 5.632 1.00 0.00 H new ATOM 0 HB THR A 79 3.814 10.434 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.512 12.673 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.325 11.595 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.678 9.855 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.729 11.038 7.236 1.00 0.00 H new ATOM 950 N LEU A 80 3.685 9.396 3.421 1.00 0.00 N ATOM 951 CA LEU A 80 3.098 9.706 2.098 1.00 0.00 C ATOM 952 C LEU A 80 2.850 11.229 1.952 1.00 0.00 C ATOM 953 O LEU A 80 3.136 11.823 0.910 1.00 0.00 O ATOM 954 CB LEU A 80 1.791 8.895 1.828 1.00 0.00 C ATOM 955 CG LEU A 80 0.550 9.113 2.770 1.00 0.00 C ATOM 956 CD1 LEU A 80 -0.726 8.533 2.131 1.00 0.00 C ATOM 957 CD2 LEU A 80 0.750 8.508 4.179 1.00 0.00 C ATOM 0 H LEU A 80 3.121 8.763 3.989 1.00 0.00 H new ATOM 0 HA LEU A 80 3.822 9.400 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.473 9.114 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.048 7.836 1.862 1.00 0.00 H new ATOM 0 HG LEU A 80 0.443 10.191 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.573 8.694 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.914 9.030 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.595 7.464 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.139 8.690 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.917 7.434 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.613 8.973 4.655 1.00 0.00 H new ATOM 969 N SER A 81 2.388 11.842 3.057 1.00 0.00 N ATOM 970 CA SER A 81 2.076 13.281 3.146 1.00 0.00 C ATOM 971 C SER A 81 3.337 14.158 2.949 1.00 0.00 C ATOM 972 O SER A 81 3.244 15.259 2.394 1.00 0.00 O ATOM 973 CB SER A 81 1.416 13.566 4.517 1.00 0.00 C ATOM 974 OG SER A 81 1.057 14.935 4.665 1.00 0.00 O ATOM 0 H SER A 81 2.218 11.342 3.930 1.00 0.00 H new ATOM 0 HA SER A 81 1.386 13.540 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.527 12.945 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.103 13.284 5.315 1.00 0.00 H new ATOM 0 HG SER A 81 0.888 15.326 3.782 1.00 0.00 H new ATOM 980 N GLN A 82 4.505 13.628 3.382 1.00 0.00 N ATOM 981 CA GLN A 82 5.840 14.266 3.214 1.00 0.00 C ATOM 982 C GLN A 82 6.178 14.395 1.726 1.00 0.00 C ATOM 983 O GLN A 82 6.747 15.395 1.282 1.00 0.00 O ATOM 984 CB GLN A 82 6.926 13.398 3.920 1.00 0.00 C ATOM 985 CG GLN A 82 8.371 13.947 3.902 1.00 0.00 C ATOM 986 CD GLN A 82 9.407 12.935 4.413 1.00 0.00 C ATOM 987 OE1 GLN A 82 9.103 12.059 5.229 1.00 0.00 O ATOM 988 NE2 GLN A 82 10.641 13.059 3.955 1.00 0.00 N ATOM 0 H GLN A 82 4.551 12.731 3.866 1.00 0.00 H new ATOM 0 HA GLN A 82 5.817 15.259 3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.628 13.258 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.930 12.413 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.629 14.240 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.419 14.847 4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.864 13.792 3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.370 12.422 4.275 1.00 0.00 H new ATOM 997 N HIS A 83 5.781 13.365 0.964 1.00 0.00 N ATOM 998 CA HIS A 83 6.032 13.270 -0.482 1.00 0.00 C ATOM 999 C HIS A 83 4.919 13.955 -1.303 1.00 0.00 C ATOM 1000 O HIS A 83 4.828 13.757 -2.515 1.00 0.00 O ATOM 1001 CB HIS A 83 6.202 11.776 -0.871 1.00 0.00 C ATOM 1002 CG HIS A 83 7.482 11.169 -0.350 1.00 0.00 C ATOM 1003 ND1 HIS A 83 8.551 10.868 -1.165 1.00 0.00 N ATOM 1004 CD2 HIS A 83 7.878 10.849 0.907 1.00 0.00 C ATOM 1005 CE1 HIS A 83 9.540 10.403 -0.440 1.00 0.00 C ATOM 1006 NE2 HIS A 83 9.160 10.382 0.821 1.00 0.00 N ATOM 0 H HIS A 83 5.271 12.565 1.339 1.00 0.00 H new ATOM 0 HA HIS A 83 6.953 13.804 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.355 11.208 -0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.180 11.685 -1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.290 10.945 1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.504 10.090 -0.814 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.730 10.068 1.606 1.00 0.00 H new ATOM 1015 N GLY A 84 4.092 14.779 -0.625 1.00 0.00 N ATOM 1016 CA GLY A 84 3.062 15.599 -1.280 1.00 0.00 C ATOM 1017 C GLY A 84 1.824 14.811 -1.681 1.00 0.00 C ATOM 1018 O GLY A 84 0.971 15.315 -2.423 1.00 0.00 O ATOM 0 H GLY A 84 4.123 14.891 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.768 16.405 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.490 16.065 -2.168 1.00 0.00 H new ATOM 1022 N ILE A 85 1.718 13.574 -1.173 1.00 0.00 N ATOM 1023 CA ILE A 85 0.602 12.678 -1.471 1.00 0.00 C ATOM 1024 C ILE A 85 -0.518 12.924 -0.450 1.00 0.00 C ATOM 1025 O ILE A 85 -0.385 12.594 0.737 1.00 0.00 O ATOM 1026 CB ILE A 85 1.048 11.177 -1.433 1.00 0.00 C ATOM 1027 CG1 ILE A 85 2.268 10.928 -2.391 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -0.141 10.247 -1.773 1.00 0.00 C ATOM 1029 CD1 ILE A 85 2.955 9.590 -2.193 1.00 0.00 C ATOM 0 H ILE A 85 2.410 13.170 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 85 0.242 12.887 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 85 1.376 10.941 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.924 10.997 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.999 11.723 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.189 9.209 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.939 10.396 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.511 10.480 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.785 9.500 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.332 9.522 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.242 8.785 -2.370 1.00 0.00 H new ATOM 1041 N HIS A 86 -1.597 13.554 -0.926 1.00 0.00 N ATOM 1042 CA HIS A 86 -2.757 13.940 -0.107 1.00 0.00 C ATOM 1043 C HIS A 86 -4.057 13.507 -0.814 1.00 0.00 C ATOM 1044 O HIS A 86 -4.036 12.608 -1.665 1.00 0.00 O ATOM 1045 CB HIS A 86 -2.719 15.481 0.146 1.00 0.00 C ATOM 1046 CG HIS A 86 -1.505 15.953 0.909 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -0.657 16.932 0.444 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -0.989 15.553 2.097 1.00 0.00 C ATOM 1049 CE1 HIS A 86 0.328 17.104 1.300 1.00 0.00 C ATOM 1050 NE2 HIS A 86 0.151 16.282 2.311 1.00 0.00 N ATOM 0 H HIS A 86 -1.693 13.816 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 86 -2.722 13.438 0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.754 15.996 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.615 15.770 0.696 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -0.774 17.445 -0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.400 14.800 2.753 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.144 17.803 1.190 1.00 0.00 H new ATOM 1059 N ASP A 87 -5.182 14.126 -0.418 1.00 0.00 N ATOM 1060 CA ASP A 87 -6.505 13.916 -1.034 1.00 0.00 C ATOM 1061 C ASP A 87 -6.486 14.257 -2.543 1.00 0.00 C ATOM 1062 O ASP A 87 -6.242 15.412 -2.923 1.00 0.00 O ATOM 1063 CB ASP A 87 -7.551 14.780 -0.278 1.00 0.00 C ATOM 1064 CG ASP A 87 -8.959 14.743 -0.886 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -9.576 13.670 -0.891 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.455 15.784 -1.367 1.00 0.00 O ATOM 0 H ASP A 87 -5.199 14.797 0.350 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.775 12.863 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.606 14.441 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.204 15.813 -0.257 1.00 0.00 H new ATOM 1071 N GLY A 88 -6.719 13.231 -3.384 1.00 0.00 N ATOM 1072 CA GLY A 88 -6.739 13.380 -4.846 1.00 0.00 C ATOM 1073 C GLY A 88 -5.457 12.914 -5.531 1.00 0.00 C ATOM 1074 O GLY A 88 -5.367 12.950 -6.764 1.00 0.00 O ATOM 0 H GLY A 88 -6.898 12.278 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.580 12.815 -5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.911 14.428 -5.093 1.00 0.00 H new ATOM 1078 N LEU A 89 -4.457 12.484 -4.738 1.00 0.00 N ATOM 1079 CA LEU A 89 -3.185 11.927 -5.255 1.00 0.00 C ATOM 1080 C LEU A 89 -3.221 10.385 -5.197 1.00 0.00 C ATOM 1081 O LEU A 89 -3.945 9.794 -4.379 1.00 0.00 O ATOM 1082 CB LEU A 89 -1.952 12.469 -4.453 1.00 0.00 C ATOM 1083 CG LEU A 89 -1.542 13.972 -4.671 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -1.261 14.273 -6.159 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -2.575 14.955 -4.074 1.00 0.00 C ATOM 0 H LEU A 89 -4.505 12.512 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.075 12.247 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.154 12.327 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.091 11.847 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.612 14.127 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.981 15.320 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.447 13.640 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.157 14.072 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.247 15.979 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.544 14.798 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.664 14.782 -3.001 1.00 0.00 H new ATOM 1097 N THR A 90 -2.432 9.753 -6.091 1.00 0.00 N ATOM 1098 CA THR A 90 -2.287 8.287 -6.172 1.00 0.00 C ATOM 1099 C THR A 90 -0.844 7.872 -5.801 1.00 0.00 C ATOM 1100 O THR A 90 0.110 8.624 -6.048 1.00 0.00 O ATOM 1101 CB THR A 90 -2.650 7.767 -7.612 1.00 0.00 C ATOM 1102 OG1 THR A 90 -3.927 8.296 -8.016 1.00 0.00 O ATOM 1103 CG2 THR A 90 -2.715 6.221 -7.680 1.00 0.00 C ATOM 0 H THR A 90 -1.873 10.252 -6.783 1.00 0.00 H new ATOM 0 HA THR A 90 -2.979 7.835 -5.461 1.00 0.00 H new ATOM 0 HB THR A 90 -1.860 8.107 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.147 7.970 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.969 5.912 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.746 5.804 -7.405 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.476 5.858 -6.989 1.00 0.00 H new ATOM 1111 N VAL A 91 -0.696 6.686 -5.183 1.00 0.00 N ATOM 1112 CA VAL A 91 0.620 6.051 -4.932 1.00 0.00 C ATOM 1113 C VAL A 91 0.690 4.740 -5.726 1.00 0.00 C ATOM 1114 O VAL A 91 -0.328 4.067 -5.878 1.00 0.00 O ATOM 1115 CB VAL A 91 0.868 5.712 -3.402 1.00 0.00 C ATOM 1116 CG1 VAL A 91 2.371 5.466 -3.119 1.00 0.00 C ATOM 1117 CG2 VAL A 91 0.291 6.791 -2.469 1.00 0.00 C ATOM 0 H VAL A 91 -1.484 6.136 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 91 1.384 6.764 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 91 0.331 4.788 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.509 5.236 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.722 4.629 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.940 6.360 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.484 6.517 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.763 7.749 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.784 6.873 -2.628 1.00 0.00 H new ATOM 1127 N HIS A 92 1.875 4.375 -6.229 1.00 0.00 N ATOM 1128 CA HIS A 92 2.086 3.055 -6.843 1.00 0.00 C ATOM 1129 C HIS A 92 2.613 2.084 -5.784 1.00 0.00 C ATOM 1130 O HIS A 92 3.766 2.156 -5.379 1.00 0.00 O ATOM 1131 CB HIS A 92 3.062 3.144 -8.045 1.00 0.00 C ATOM 1132 CG HIS A 92 2.439 3.780 -9.250 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.823 3.050 -10.244 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.315 5.076 -9.609 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.348 3.870 -11.153 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.635 5.102 -10.794 1.00 0.00 N ATOM 0 H HIS A 92 2.702 4.972 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 92 1.134 2.688 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.942 3.716 -7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.405 2.142 -8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.684 5.931 -9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.812 3.581 -12.045 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.389 5.943 -11.317 1.00 0.00 H new ATOM 1145 N LEU A 93 1.735 1.182 -5.350 1.00 0.00 N ATOM 1146 CA LEU A 93 2.072 0.094 -4.433 1.00 0.00 C ATOM 1147 C LEU A 93 2.311 -1.171 -5.237 1.00 0.00 C ATOM 1148 O LEU A 93 1.534 -1.505 -6.143 1.00 0.00 O ATOM 1149 CB LEU A 93 0.925 -0.141 -3.431 1.00 0.00 C ATOM 1150 CG LEU A 93 1.040 -1.382 -2.480 1.00 0.00 C ATOM 1151 CD1 LEU A 93 2.240 -1.291 -1.528 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.257 -1.580 -1.694 1.00 0.00 C ATOM 0 H LEU A 93 0.754 1.186 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 93 2.970 0.360 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.831 0.751 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.002 -0.235 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 93 1.208 -2.251 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.269 -2.177 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.161 -1.229 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.144 -0.402 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.157 -2.446 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.458 -0.693 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.082 -1.743 -2.388 1.00 0.00 H new ATOM 1164 N VAL A 94 3.386 -1.867 -4.898 1.00 0.00 N ATOM 1165 CA VAL A 94 3.708 -3.167 -5.463 1.00 0.00 C ATOM 1166 C VAL A 94 3.820 -4.167 -4.308 1.00 0.00 C ATOM 1167 O VAL A 94 4.712 -4.059 -3.452 1.00 0.00 O ATOM 1168 CB VAL A 94 5.033 -3.119 -6.314 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.367 -4.499 -6.925 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.950 -2.026 -7.412 1.00 0.00 C ATOM 0 H VAL A 94 4.068 -1.539 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 94 2.920 -3.477 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 94 5.847 -2.856 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.287 -4.427 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.498 -5.229 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.552 -4.816 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.877 -2.014 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.115 -2.242 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.799 -1.052 -6.946 1.00 0.00 H new ATOM 1180 N ILE A 95 2.849 -5.086 -4.253 1.00 0.00 N ATOM 1181 CA ILE A 95 2.849 -6.199 -3.304 1.00 0.00 C ATOM 1182 C ILE A 95 3.370 -7.425 -4.052 1.00 0.00 C ATOM 1183 O ILE A 95 2.851 -7.739 -5.139 1.00 0.00 O ATOM 1184 CB ILE A 95 1.406 -6.507 -2.753 1.00 0.00 C ATOM 1185 CG1 ILE A 95 0.633 -5.199 -2.398 1.00 0.00 C ATOM 1186 CG2 ILE A 95 1.477 -7.459 -1.533 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -0.811 -5.421 -1.974 1.00 0.00 C ATOM 0 H ILE A 95 2.037 -5.076 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 95 3.473 -5.942 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 95 0.850 -7.007 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.161 -4.686 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.648 -4.536 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.469 -7.659 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.948 -8.396 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.064 -6.993 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.275 -4.461 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.358 -5.904 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.837 -6.056 -1.089 1.00 0.00 H new ATOM 1199 N LYS A 96 4.387 -8.107 -3.503 1.00 0.00 N ATOM 1200 CA LYS A 96 4.923 -9.337 -4.113 1.00 0.00 C ATOM 1201 C LYS A 96 4.088 -10.553 -3.654 1.00 0.00 C ATOM 1202 O LYS A 96 4.571 -11.444 -2.948 1.00 0.00 O ATOM 1203 CB LYS A 96 6.443 -9.497 -3.791 1.00 0.00 C ATOM 1204 CG LYS A 96 7.164 -10.620 -4.590 1.00 0.00 C ATOM 1205 CD LYS A 96 7.072 -10.420 -6.122 1.00 0.00 C ATOM 1206 CE LYS A 96 7.734 -11.557 -6.920 1.00 0.00 C ATOM 1207 NZ LYS A 96 7.102 -12.879 -6.663 1.00 0.00 N ATOM 0 H LYS A 96 4.855 -7.830 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 96 4.841 -9.272 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.944 -8.550 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.555 -9.699 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.213 -10.653 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.728 -11.584 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.024 -10.345 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.545 -9.474 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.675 -11.331 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.792 -11.608 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.504 -13.587 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.283 -13.165 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.076 -12.810 -6.820 1.00 0.00 H new