USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 27 CYS SG : rot 174:sc= 0.00332 USER MOD Set 1.2: A 30 SER OG : rot -51:sc= 1.22 USER MOD Set 2.1: A 7 SER OG : rot 73:sc= 0.886 USER MOD Set 2.2: A 56 GLN : amide:sc= -1.15 K(o=-0.27,f=0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.054 (180deg=-0.313) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0515) USER MOD Single : A 6 SER OG : rot 180:sc= -2.66! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 70:sc= -0.383 USER MOD Single : A 21 MET CE :methyl 159:sc= -10! (180deg=-12.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 40 SER OG : rot 6:sc= 0.429 USER MOD Single : A 41 SER OG : rot -130:sc= -0.0115 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -5.25! C(o=-5.2!,f=-6.3!) USER MOD Single : A 57 CYS SG : rot -21:sc= 0.469 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 3:sc= 0.682 USER MOD Single : A 68 MET CE :methyl 153:sc= -3.64! (180deg=-4.46!) USER MOD Single : A 72 GLN : amide:sc= -0.736 K(o=-0.74,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot -52:sc= 0.643 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.8!) USER MOD Single : A 82 SER OG : rot 19:sc= 1.04 USER MOD Single : A 83 MET CE :methyl 149:sc= -4.05 (180deg=-7.54!) USER MOD Single : A 89 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.034) USER MOD Single : A 90 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.629) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.344 1.244 7.671 1.00 0.00 N ATOM 2 CA MET A 1 16.080 0.259 6.642 1.00 0.00 C ATOM 3 C MET A 1 14.584 -0.007 6.550 1.00 0.00 C ATOM 4 O MET A 1 14.198 -1.101 6.141 1.00 0.00 O ATOM 5 CB MET A 1 16.838 -1.027 6.964 1.00 0.00 C ATOM 6 CG MET A 1 18.000 -1.190 5.989 1.00 0.00 C ATOM 7 SD MET A 1 19.561 -1.657 6.776 1.00 0.00 S ATOM 8 CE MET A 1 20.294 -0.012 6.961 1.00 0.00 C ATOM 0 H1 MET A 1 17.364 1.273 7.870 1.00 0.00 H new ATOM 0 H2 MET A 1 16.028 2.180 7.345 1.00 0.00 H new ATOM 0 H3 MET A 1 15.829 0.987 8.537 1.00 0.00 H new ATOM 0 HA MET A 1 16.421 0.636 5.678 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.210 -0.996 7.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.168 -1.884 6.894 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.737 -1.947 5.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.143 -0.253 5.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.272 -0.101 7.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.406 0.449 5.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.646 0.607 7.581 1.00 0.00 H new ATOM 20 N LEU A 2 13.783 0.979 6.926 1.00 0.00 N ATOM 21 CA LEU A 2 12.339 0.830 6.877 1.00 0.00 C ATOM 22 C LEU A 2 11.782 1.670 5.726 1.00 0.00 C ATOM 23 O LEU A 2 11.209 2.735 5.950 1.00 0.00 O ATOM 24 CB LEU A 2 11.721 1.163 8.236 1.00 0.00 C ATOM 25 CG LEU A 2 10.443 0.402 8.596 1.00 0.00 C ATOM 26 CD1 LEU A 2 10.510 -0.137 10.027 1.00 0.00 C ATOM 27 CD2 LEU A 2 9.204 1.270 8.368 1.00 0.00 C ATOM 0 H LEU A 2 14.107 1.884 7.266 1.00 0.00 H new ATOM 0 HA LEU A 2 12.069 -0.207 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.465 0.970 9.009 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.504 2.231 8.262 1.00 0.00 H new ATOM 0 HG LEU A 2 10.360 -0.458 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.590 -0.673 10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.358 -0.815 10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.630 0.693 10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.310 0.705 8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.266 2.163 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.152 1.562 7.319 1.00 0.00 H new ATOM 39 N VAL A 3 11.972 1.160 4.518 1.00 0.00 N ATOM 40 CA VAL A 3 11.496 1.850 3.331 1.00 0.00 C ATOM 41 C VAL A 3 11.216 0.826 2.229 1.00 0.00 C ATOM 42 O VAL A 3 11.492 -0.362 2.395 1.00 0.00 O ATOM 43 CB VAL A 3 12.503 2.921 2.910 1.00 0.00 C ATOM 44 CG1 VAL A 3 13.485 2.373 1.873 1.00 0.00 C ATOM 45 CG2 VAL A 3 11.788 4.168 2.383 1.00 0.00 C ATOM 0 H VAL A 3 12.449 0.277 4.336 1.00 0.00 H new ATOM 0 HA VAL A 3 10.559 2.367 3.539 1.00 0.00 H new ATOM 0 HB VAL A 3 13.074 3.209 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.190 3.155 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.029 1.529 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.936 2.044 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.526 4.914 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.180 3.901 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.148 4.578 3.164 1.00 0.00 H new ATOM 55 N ALA A 4 10.673 1.322 1.128 1.00 0.00 N ATOM 56 CA ALA A 4 10.353 0.466 -0.002 1.00 0.00 C ATOM 57 C ALA A 4 9.174 -0.436 0.366 1.00 0.00 C ATOM 58 O ALA A 4 9.366 -1.583 0.767 1.00 0.00 O ATOM 59 CB ALA A 4 11.595 -0.333 -0.404 1.00 0.00 C ATOM 0 H ALA A 4 10.446 2.307 0.994 1.00 0.00 H new ATOM 0 HA ALA A 4 10.055 1.063 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.356 -0.975 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.395 0.353 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.920 -0.947 0.436 1.00 0.00 H new ATOM 65 N LYS A 5 7.979 0.116 0.217 1.00 0.00 N ATOM 66 CA LYS A 5 6.768 -0.625 0.528 1.00 0.00 C ATOM 67 C LYS A 5 6.069 -1.021 -0.774 1.00 0.00 C ATOM 68 O LYS A 5 6.458 -0.574 -1.853 1.00 0.00 O ATOM 69 CB LYS A 5 5.880 0.176 1.483 1.00 0.00 C ATOM 70 CG LYS A 5 6.510 0.260 2.875 1.00 0.00 C ATOM 71 CD LYS A 5 5.630 -0.433 3.918 1.00 0.00 C ATOM 72 CE LYS A 5 4.290 0.289 4.071 1.00 0.00 C ATOM 73 NZ LYS A 5 4.470 1.566 4.797 1.00 0.00 N ATOM 0 H LYS A 5 7.823 1.068 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 5 7.011 -1.548 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.727 1.180 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.898 -0.292 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.496 -0.204 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.653 1.305 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.458 -1.468 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.147 -0.456 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.859 0.480 3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.587 -0.347 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.539 1.969 5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.999 1.394 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.998 2.233 4.200 1.00 0.00 H new ATOM 87 N SER A 6 5.050 -1.856 -0.631 1.00 0.00 N ATOM 88 CA SER A 6 4.293 -2.318 -1.782 1.00 0.00 C ATOM 89 C SER A 6 2.866 -2.676 -1.361 1.00 0.00 C ATOM 90 O SER A 6 2.558 -2.716 -0.171 1.00 0.00 O ATOM 91 CB SER A 6 4.970 -3.522 -2.440 1.00 0.00 C ATOM 92 OG SER A 6 4.175 -4.078 -3.484 1.00 0.00 O ATOM 0 H SER A 6 4.731 -2.225 0.265 1.00 0.00 H new ATOM 0 HA SER A 6 4.257 -1.511 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.936 -3.219 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.164 -4.285 -1.686 1.00 0.00 H new ATOM 0 HG SER A 6 4.643 -4.843 -3.879 1.00 0.00 H new ATOM 98 N SER A 7 2.034 -2.928 -2.361 1.00 0.00 N ATOM 99 CA SER A 7 0.648 -3.281 -2.109 1.00 0.00 C ATOM 100 C SER A 7 0.276 -4.537 -2.900 1.00 0.00 C ATOM 101 O SER A 7 0.840 -4.796 -3.963 1.00 0.00 O ATOM 102 CB SER A 7 -0.289 -2.129 -2.474 1.00 0.00 C ATOM 103 OG SER A 7 -1.659 -2.521 -2.435 1.00 0.00 O ATOM 0 H SER A 7 2.293 -2.895 -3.347 1.00 0.00 H new ATOM 0 HA SER A 7 0.535 -3.482 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.130 -1.300 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.044 -1.765 -3.472 1.00 0.00 H new ATOM 0 HG SER A 7 -1.941 -2.631 -1.503 1.00 0.00 H new ATOM 109 N ILE A 8 -0.670 -5.286 -2.350 1.00 0.00 N ATOM 110 CA ILE A 8 -1.123 -6.508 -2.991 1.00 0.00 C ATOM 111 C ILE A 8 -2.647 -6.598 -2.888 1.00 0.00 C ATOM 112 O ILE A 8 -3.198 -6.614 -1.788 1.00 0.00 O ATOM 113 CB ILE A 8 -0.394 -7.721 -2.407 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.120 -7.586 -2.578 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.926 -9.022 -3.010 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.785 -7.164 -1.266 1.00 0.00 C ATOM 0 H ILE A 8 -1.134 -5.069 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.875 -6.496 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.594 -7.757 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.538 -8.536 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.338 -6.851 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.392 -9.868 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.990 -9.116 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.776 -9.011 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.861 -7.075 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.383 -6.203 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.586 -7.913 -0.500 1.00 0.00 H new ATOM 128 N LEU A 9 -3.284 -6.655 -4.048 1.00 0.00 N ATOM 129 CA LEU A 9 -4.733 -6.743 -4.103 1.00 0.00 C ATOM 130 C LEU A 9 -5.151 -8.215 -4.112 1.00 0.00 C ATOM 131 O LEU A 9 -4.831 -8.948 -5.046 1.00 0.00 O ATOM 132 CB LEU A 9 -5.274 -5.942 -5.289 1.00 0.00 C ATOM 133 CG LEU A 9 -6.792 -5.750 -5.332 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.238 -4.681 -4.334 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.265 -5.441 -6.754 1.00 0.00 C ATOM 0 H LEU A 9 -2.823 -6.642 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.176 -6.292 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.803 -4.959 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.964 -6.438 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.264 -6.686 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.321 -4.565 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.953 -4.982 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.759 -3.733 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.347 -5.309 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.787 -4.527 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.998 -6.267 -7.414 1.00 0.00 H new ATOM 147 N LEU A 10 -5.859 -8.603 -3.062 1.00 0.00 N ATOM 148 CA LEU A 10 -6.324 -9.974 -2.938 1.00 0.00 C ATOM 149 C LEU A 10 -7.753 -10.074 -3.475 1.00 0.00 C ATOM 150 O LEU A 10 -8.432 -9.061 -3.636 1.00 0.00 O ATOM 151 CB LEU A 10 -6.174 -10.462 -1.495 1.00 0.00 C ATOM 152 CG LEU A 10 -5.419 -11.779 -1.308 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.913 -11.579 -1.490 1.00 0.00 C ATOM 154 CD2 LEU A 10 -5.752 -12.416 0.042 1.00 0.00 C ATOM 0 H LEU A 10 -6.122 -7.992 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.709 -10.641 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.663 -9.688 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.169 -10.572 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.748 -12.473 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.400 -12.531 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.715 -11.202 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.550 -10.861 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.202 -13.351 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.470 -11.735 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.822 -12.617 0.096 1.00 0.00 H new ATOM 166 N ASP A 11 -8.168 -11.305 -3.738 1.00 0.00 N ATOM 167 CA ASP A 11 -9.503 -11.551 -4.255 1.00 0.00 C ATOM 168 C ASP A 11 -9.981 -12.926 -3.784 1.00 0.00 C ATOM 169 O ASP A 11 -9.771 -13.927 -4.466 1.00 0.00 O ATOM 170 CB ASP A 11 -9.512 -11.546 -5.785 1.00 0.00 C ATOM 171 CG ASP A 11 -10.747 -10.906 -6.421 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.812 -10.811 -5.795 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.581 -10.488 -7.631 1.00 0.00 O ATOM 0 H ASP A 11 -7.602 -12.143 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.157 -10.760 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.626 -11.018 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.432 -12.574 -6.137 1.00 0.00 H new ATOM 178 N VAL A 12 -10.617 -12.930 -2.621 1.00 0.00 N ATOM 179 CA VAL A 12 -11.127 -14.165 -2.050 1.00 0.00 C ATOM 180 C VAL A 12 -12.593 -14.341 -2.455 1.00 0.00 C ATOM 181 O VAL A 12 -13.282 -13.364 -2.743 1.00 0.00 O ATOM 182 CB VAL A 12 -10.921 -14.166 -0.535 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.580 -15.388 0.107 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.433 -14.098 -0.185 1.00 0.00 C ATOM 0 H VAL A 12 -10.791 -12.097 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.577 -15.022 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.402 -13.275 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.419 -15.364 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.650 -15.375 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.142 -16.297 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.314 -14.100 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.920 -14.962 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.004 -13.184 -0.596 1.00 0.00 H new ATOM 194 N LYS A 13 -13.025 -15.593 -2.463 1.00 0.00 N ATOM 195 CA LYS A 13 -14.395 -15.910 -2.827 1.00 0.00 C ATOM 196 C LYS A 13 -15.117 -16.501 -1.614 1.00 0.00 C ATOM 197 O LYS A 13 -14.564 -17.342 -0.907 1.00 0.00 O ATOM 198 CB LYS A 13 -14.427 -16.812 -4.061 1.00 0.00 C ATOM 199 CG LYS A 13 -15.534 -16.383 -5.027 1.00 0.00 C ATOM 200 CD LYS A 13 -15.016 -16.328 -6.466 1.00 0.00 C ATOM 201 CE LYS A 13 -16.171 -16.186 -7.459 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.065 -17.207 -8.525 1.00 0.00 N ATOM 0 H LYS A 13 -12.450 -16.401 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.933 -15.005 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.463 -16.775 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.587 -17.846 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.368 -17.082 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.916 -15.404 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.330 -15.488 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.450 -17.233 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.122 -16.293 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.160 -15.189 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.856 -17.097 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.166 -17.086 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.098 -18.156 -8.101 1.00 0.00 H new ATOM 216 N PRO A 14 -16.373 -16.025 -1.404 1.00 0.00 N ATOM 217 CA PRO A 14 -17.176 -16.496 -0.289 1.00 0.00 C ATOM 218 C PRO A 14 -17.717 -17.901 -0.559 1.00 0.00 C ATOM 219 O PRO A 14 -17.915 -18.284 -1.711 1.00 0.00 O ATOM 220 CB PRO A 14 -18.275 -15.458 -0.128 1.00 0.00 C ATOM 221 CG PRO A 14 -18.323 -14.695 -1.442 1.00 0.00 C ATOM 222 CD PRO A 14 -17.060 -15.027 -2.221 1.00 0.00 C ATOM 0 HA PRO A 14 -16.601 -16.593 0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.233 -15.933 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.061 -14.788 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.208 -14.974 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.387 -13.622 -1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.296 -15.419 -3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.441 -14.142 -2.369 1.00 0.00 H new ATOM 230 N TRP A 15 -17.939 -18.634 0.523 1.00 0.00 N ATOM 231 CA TRP A 15 -18.453 -19.989 0.417 1.00 0.00 C ATOM 232 C TRP A 15 -19.836 -19.921 -0.232 1.00 0.00 C ATOM 233 O TRP A 15 -20.290 -20.891 -0.839 1.00 0.00 O ATOM 234 CB TRP A 15 -18.466 -20.677 1.784 1.00 0.00 C ATOM 235 CG TRP A 15 -17.352 -21.709 1.972 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.497 -21.822 2.997 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.005 -22.775 1.063 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.627 -22.878 2.817 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.947 -23.476 1.603 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.568 -23.136 -0.174 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.359 -24.582 0.976 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.969 -24.242 -0.789 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.903 -24.959 -0.258 1.00 0.00 C ATOM 0 H TRP A 15 -17.772 -18.315 1.477 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.805 -20.600 -0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.380 -19.918 2.562 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.429 -21.168 1.923 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.489 -21.168 3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.886 -23.167 3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.397 -22.602 -0.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.531 -25.115 1.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.363 -24.560 -1.743 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.496 -25.803 -0.795 1.00 0.00 H new ATOM 254 N ASP A 16 -20.469 -18.766 -0.082 1.00 0.00 N ATOM 255 CA ASP A 16 -21.792 -18.559 -0.647 1.00 0.00 C ATOM 256 C ASP A 16 -22.389 -17.273 -0.075 1.00 0.00 C ATOM 257 O ASP A 16 -21.718 -16.541 0.652 1.00 0.00 O ATOM 258 CB ASP A 16 -22.729 -19.715 -0.292 1.00 0.00 C ATOM 259 CG ASP A 16 -23.310 -20.468 -1.489 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.449 -21.126 -2.190 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.524 -20.430 -1.741 1.00 0.00 O ATOM 0 H ASP A 16 -20.090 -17.964 0.422 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.691 -18.497 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.187 -20.423 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.552 -19.325 0.307 1.00 0.00 H new ATOM 266 N ASP A 17 -23.646 -17.035 -0.424 1.00 0.00 N ATOM 267 CA ASP A 17 -24.342 -15.849 0.045 1.00 0.00 C ATOM 268 C ASP A 17 -24.433 -15.888 1.572 1.00 0.00 C ATOM 269 O ASP A 17 -24.723 -14.874 2.205 1.00 0.00 O ATOM 270 CB ASP A 17 -25.765 -15.790 -0.513 1.00 0.00 C ATOM 271 CG ASP A 17 -26.843 -16.369 0.405 1.00 0.00 C ATOM 272 OD1 ASP A 17 -27.120 -17.578 0.382 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.420 -15.512 1.178 1.00 0.00 O ATOM 0 H ASP A 17 -24.200 -17.644 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.786 -14.974 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.012 -14.750 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.790 -16.327 -1.461 1.00 0.00 H new ATOM 278 N GLU A 18 -24.180 -17.068 2.118 1.00 0.00 N ATOM 279 CA GLU A 18 -24.229 -17.251 3.559 1.00 0.00 C ATOM 280 C GLU A 18 -22.999 -16.623 4.217 1.00 0.00 C ATOM 281 O GLU A 18 -23.084 -16.102 5.328 1.00 0.00 O ATOM 282 CB GLU A 18 -24.347 -18.734 3.919 1.00 0.00 C ATOM 283 CG GLU A 18 -23.032 -19.468 3.652 1.00 0.00 C ATOM 284 CD GLU A 18 -23.158 -20.957 3.985 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.163 -21.554 3.438 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.328 -21.498 4.730 1.00 0.00 O ATOM 0 H GLU A 18 -23.941 -17.907 1.589 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.117 -16.746 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.618 -18.837 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.147 -19.191 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.750 -19.348 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.236 -19.024 4.249 1.00 0.00 H new ATOM 293 N THR A 19 -21.885 -16.694 3.504 1.00 0.00 N ATOM 294 CA THR A 19 -20.639 -16.138 4.005 1.00 0.00 C ATOM 295 C THR A 19 -20.730 -14.613 4.085 1.00 0.00 C ATOM 296 O THR A 19 -20.370 -13.915 3.139 1.00 0.00 O ATOM 297 CB THR A 19 -19.506 -16.632 3.104 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.254 -17.959 3.559 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.190 -15.895 3.360 1.00 0.00 C ATOM 0 H THR A 19 -21.819 -17.128 2.583 1.00 0.00 H new ATOM 0 HA THR A 19 -20.436 -16.474 5.022 1.00 0.00 H new ATOM 0 HB THR A 19 -19.794 -16.509 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 19 -20.007 -18.537 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.420 -16.284 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.327 -14.830 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.884 -16.045 4.395 1.00 0.00 H new ATOM 307 N ASP A 20 -21.213 -14.141 5.226 1.00 0.00 N ATOM 308 CA ASP A 20 -21.355 -12.711 5.443 1.00 0.00 C ATOM 309 C ASP A 20 -20.139 -11.987 4.860 1.00 0.00 C ATOM 310 O ASP A 20 -19.005 -12.262 5.247 1.00 0.00 O ATOM 311 CB ASP A 20 -21.428 -12.386 6.936 1.00 0.00 C ATOM 312 CG ASP A 20 -22.624 -11.527 7.352 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.503 -10.267 7.107 1.00 0.00 O ATOM 314 OD2 ASP A 20 -23.621 -12.038 7.885 1.00 0.00 O ATOM 0 H ASP A 20 -21.511 -14.723 6.009 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.275 -12.386 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -21.459 -13.321 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.512 -11.872 7.226 1.00 0.00 H new ATOM 319 N MET A 21 -20.418 -11.076 3.939 1.00 0.00 N ATOM 320 CA MET A 21 -19.361 -10.312 3.300 1.00 0.00 C ATOM 321 C MET A 21 -18.837 -9.215 4.230 1.00 0.00 C ATOM 322 O MET A 21 -17.665 -8.849 4.165 1.00 0.00 O ATOM 323 CB MET A 21 -19.897 -9.677 2.014 1.00 0.00 C ATOM 324 CG MET A 21 -20.591 -10.720 1.136 1.00 0.00 C ATOM 325 SD MET A 21 -19.409 -11.942 0.591 1.00 0.00 S ATOM 326 CE MET A 21 -18.896 -11.210 -0.953 1.00 0.00 C ATOM 0 H MET A 21 -21.360 -10.850 3.621 1.00 0.00 H new ATOM 0 HA MET A 21 -18.539 -10.989 3.068 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.599 -8.881 2.262 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.077 -9.219 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.393 -11.202 1.695 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.049 -10.235 0.274 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.927 -11.615 -1.244 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.631 -11.437 -1.725 1.00 0.00 H new ATOM 0 HE3 MET A 21 -18.816 -10.129 -0.835 1.00 0.00 H new ATOM 336 N ALA A 22 -19.732 -8.724 5.075 1.00 0.00 N ATOM 337 CA ALA A 22 -19.375 -7.677 6.017 1.00 0.00 C ATOM 338 C ALA A 22 -18.310 -8.206 6.980 1.00 0.00 C ATOM 339 O ALA A 22 -17.300 -7.545 7.219 1.00 0.00 O ATOM 340 CB ALA A 22 -20.631 -7.194 6.744 1.00 0.00 C ATOM 0 H ALA A 22 -20.703 -9.032 5.127 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.951 -6.819 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.363 -6.409 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.343 -6.802 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.083 -8.027 7.282 1.00 0.00 H new ATOM 346 N LYS A 23 -18.572 -9.393 7.507 1.00 0.00 N ATOM 347 CA LYS A 23 -17.649 -10.018 8.440 1.00 0.00 C ATOM 348 C LYS A 23 -16.353 -10.372 7.707 1.00 0.00 C ATOM 349 O LYS A 23 -15.265 -10.025 8.160 1.00 0.00 O ATOM 350 CB LYS A 23 -18.312 -11.212 9.130 1.00 0.00 C ATOM 351 CG LYS A 23 -19.158 -10.756 10.320 1.00 0.00 C ATOM 352 CD LYS A 23 -18.684 -11.418 11.615 1.00 0.00 C ATOM 353 CE LYS A 23 -19.259 -10.701 12.839 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.330 -9.648 13.308 1.00 0.00 N ATOM 0 H LYS A 23 -19.410 -9.939 7.306 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.385 -9.325 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.939 -11.747 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.548 -11.911 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.099 -9.672 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.205 -11.003 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.989 -12.464 11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.595 -11.403 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.223 -10.258 12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.436 -11.420 13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.736 -9.172 14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.419 -10.078 13.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.181 -8.953 12.549 1.00 0.00 H new ATOM 368 N LEU A 24 -16.514 -11.060 6.586 1.00 0.00 N ATOM 369 CA LEU A 24 -15.371 -11.465 5.786 1.00 0.00 C ATOM 370 C LEU A 24 -14.508 -10.239 5.479 1.00 0.00 C ATOM 371 O LEU A 24 -13.281 -10.312 5.524 1.00 0.00 O ATOM 372 CB LEU A 24 -15.830 -12.222 4.538 1.00 0.00 C ATOM 373 CG LEU A 24 -15.203 -13.600 4.320 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.617 -14.183 2.967 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.683 -13.542 4.478 1.00 0.00 C ATOM 0 H LEU A 24 -17.419 -11.347 6.213 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.746 -12.164 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.912 -12.341 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.617 -11.606 3.665 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.581 -14.273 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.158 -15.163 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.702 -14.283 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.287 -13.519 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.262 -14.535 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.267 -12.849 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.434 -13.200 5.483 1.00 0.00 H new ATOM 387 N GLU A 25 -15.184 -9.142 5.173 1.00 0.00 N ATOM 388 CA GLU A 25 -14.495 -7.901 4.859 1.00 0.00 C ATOM 389 C GLU A 25 -13.844 -7.322 6.117 1.00 0.00 C ATOM 390 O GLU A 25 -12.628 -7.143 6.165 1.00 0.00 O ATOM 391 CB GLU A 25 -15.450 -6.890 4.221 1.00 0.00 C ATOM 392 CG GLU A 25 -14.714 -5.600 3.850 1.00 0.00 C ATOM 393 CD GLU A 25 -15.700 -4.447 3.649 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.134 -3.904 4.736 1.00 0.00 O ATOM 395 OE2 GLU A 25 -16.023 -4.101 2.504 1.00 0.00 O ATOM 0 H GLU A 25 -16.202 -9.086 5.136 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.710 -8.117 4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.903 -7.324 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.262 -6.664 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.003 -5.343 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.138 -5.755 2.937 1.00 0.00 H new ATOM 402 N GLU A 26 -14.683 -7.046 7.105 1.00 0.00 N ATOM 403 CA GLU A 26 -14.204 -6.491 8.359 1.00 0.00 C ATOM 404 C GLU A 26 -13.088 -7.366 8.935 1.00 0.00 C ATOM 405 O GLU A 26 -11.994 -6.878 9.213 1.00 0.00 O ATOM 406 CB GLU A 26 -15.349 -6.334 9.361 1.00 0.00 C ATOM 407 CG GLU A 26 -16.364 -5.296 8.876 1.00 0.00 C ATOM 408 CD GLU A 26 -15.860 -3.875 9.132 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.186 -3.378 10.276 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.190 -3.290 8.267 1.00 0.00 O ATOM 0 H GLU A 26 -15.691 -7.196 7.062 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.797 -5.499 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.845 -7.294 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.950 -6.033 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.549 -5.434 7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.315 -5.446 9.387 1.00 0.00 H new ATOM 417 N CYS A 27 -13.404 -8.642 9.097 1.00 0.00 N ATOM 418 CA CYS A 27 -12.441 -9.588 9.635 1.00 0.00 C ATOM 419 C CYS A 27 -11.080 -9.304 8.997 1.00 0.00 C ATOM 420 O CYS A 27 -10.108 -9.026 9.697 1.00 0.00 O ATOM 421 CB CYS A 27 -12.885 -11.035 9.411 1.00 0.00 C ATOM 422 SG CYS A 27 -11.895 -12.163 10.458 1.00 0.00 S ATOM 0 H CYS A 27 -14.313 -9.043 8.865 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.368 -9.462 10.715 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.944 -11.140 9.649 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.766 -11.302 8.361 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.364 -13.371 10.358 1.00 0.00 H new ATOM 428 N VAL A 28 -11.054 -9.383 7.674 1.00 0.00 N ATOM 429 CA VAL A 28 -9.828 -9.137 6.934 1.00 0.00 C ATOM 430 C VAL A 28 -9.124 -7.909 7.515 1.00 0.00 C ATOM 431 O VAL A 28 -7.941 -7.967 7.848 1.00 0.00 O ATOM 432 CB VAL A 28 -10.137 -8.999 5.443 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.058 -8.176 4.733 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.299 -10.372 4.786 1.00 0.00 C ATOM 0 H VAL A 28 -11.862 -9.614 7.096 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.145 -9.981 7.034 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.084 -8.467 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.302 -8.093 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.011 -7.180 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.092 -8.668 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.518 -10.244 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.376 -10.941 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.118 -10.910 5.264 1.00 0.00 H new ATOM 444 N ARG A 29 -9.881 -6.827 7.620 1.00 0.00 N ATOM 445 CA ARG A 29 -9.344 -5.586 8.155 1.00 0.00 C ATOM 446 C ARG A 29 -8.906 -5.781 9.608 1.00 0.00 C ATOM 447 O ARG A 29 -7.950 -5.154 10.061 1.00 0.00 O ATOM 448 CB ARG A 29 -10.381 -4.464 8.088 1.00 0.00 C ATOM 449 CG ARG A 29 -9.857 -3.283 7.269 1.00 0.00 C ATOM 450 CD ARG A 29 -9.462 -2.117 8.179 1.00 0.00 C ATOM 451 NE ARG A 29 -9.807 -0.831 7.533 1.00 0.00 N ATOM 452 CZ ARG A 29 -11.060 -0.423 7.293 1.00 0.00 C ATOM 453 NH1 ARG A 29 -12.096 -1.197 7.644 1.00 0.00 N ATOM 454 NH2 ARG A 29 -11.278 0.760 6.702 1.00 0.00 N ATOM 0 H ARG A 29 -10.862 -6.783 7.344 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.484 -5.307 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.302 -4.841 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.628 -4.131 9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.995 -3.598 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.622 -2.956 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.976 -2.202 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.393 -2.153 8.387 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.042 -0.217 7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.931 -2.097 8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.050 -0.886 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.490 1.350 6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.232 1.071 6.519 1.00 0.00 H new ATOM 468 N SER A 30 -9.626 -6.654 10.298 1.00 0.00 N ATOM 469 CA SER A 30 -9.324 -6.939 11.691 1.00 0.00 C ATOM 470 C SER A 30 -7.946 -7.594 11.802 1.00 0.00 C ATOM 471 O SER A 30 -7.300 -7.514 12.846 1.00 0.00 O ATOM 472 CB SER A 30 -10.392 -7.840 12.312 1.00 0.00 C ATOM 473 OG SER A 30 -10.022 -9.216 12.269 1.00 0.00 O ATOM 0 H SER A 30 -10.418 -7.173 9.918 1.00 0.00 H new ATOM 0 HA SER A 30 -9.318 -5.998 12.241 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.560 -7.542 13.347 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.335 -7.702 11.783 1.00 0.00 H new ATOM 0 HG SER A 30 -9.756 -9.455 11.357 1.00 0.00 H new ATOM 479 N ILE A 31 -7.536 -8.228 10.714 1.00 0.00 N ATOM 480 CA ILE A 31 -6.247 -8.897 10.677 1.00 0.00 C ATOM 481 C ILE A 31 -5.133 -7.854 10.791 1.00 0.00 C ATOM 482 O ILE A 31 -5.123 -6.868 10.055 1.00 0.00 O ATOM 483 CB ILE A 31 -6.137 -9.780 9.433 1.00 0.00 C ATOM 484 CG1 ILE A 31 -7.290 -10.783 9.369 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.773 -10.471 9.370 1.00 0.00 C ATOM 486 CD1 ILE A 31 -7.049 -11.957 10.321 1.00 0.00 C ATOM 0 H ILE A 31 -8.074 -8.293 9.850 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.143 -9.570 11.528 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.216 -9.142 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.224 -10.285 9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.399 -11.153 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.721 -11.093 8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.985 -9.719 9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.640 -11.095 10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.883 -12.655 10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.127 -12.467 10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.965 -11.586 11.342 1.00 0.00 H new ATOM 498 N GLN A 32 -4.222 -8.106 11.720 1.00 0.00 N ATOM 499 CA GLN A 32 -3.107 -7.202 11.940 1.00 0.00 C ATOM 500 C GLN A 32 -1.780 -7.952 11.807 1.00 0.00 C ATOM 501 O GLN A 32 -1.754 -9.182 11.828 1.00 0.00 O ATOM 502 CB GLN A 32 -3.216 -6.518 13.304 1.00 0.00 C ATOM 503 CG GLN A 32 -3.377 -5.005 13.149 1.00 0.00 C ATOM 504 CD GLN A 32 -3.943 -4.379 14.426 1.00 0.00 C ATOM 505 OE1 GLN A 32 -3.826 -4.917 15.515 1.00 0.00 O ATOM 506 NE2 GLN A 32 -4.558 -3.216 14.231 1.00 0.00 N ATOM 0 H GLN A 32 -4.234 -8.924 12.329 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.140 -6.424 11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.067 -6.923 13.851 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.326 -6.734 13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.412 -4.555 12.916 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.039 -4.790 12.310 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.619 -2.823 13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.968 -2.717 15.021 1.00 0.00 H new ATOM 515 N ALA A 33 -0.712 -7.180 11.672 1.00 0.00 N ATOM 516 CA ALA A 33 0.615 -7.757 11.535 1.00 0.00 C ATOM 517 C ALA A 33 1.655 -6.635 11.519 1.00 0.00 C ATOM 518 O ALA A 33 1.331 -5.488 11.217 1.00 0.00 O ATOM 519 CB ALA A 33 0.669 -8.621 10.273 1.00 0.00 C ATOM 0 H ALA A 33 -0.738 -6.160 11.655 1.00 0.00 H new ATOM 0 HA ALA A 33 0.841 -8.404 12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.664 -9.054 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.068 -9.420 10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.449 -8.005 9.401 1.00 0.00 H new ATOM 525 N ASP A 34 2.885 -7.006 11.847 1.00 0.00 N ATOM 526 CA ASP A 34 3.974 -6.045 11.873 1.00 0.00 C ATOM 527 C ASP A 34 4.244 -5.547 10.452 1.00 0.00 C ATOM 528 O ASP A 34 4.067 -6.289 9.487 1.00 0.00 O ATOM 529 CB ASP A 34 5.259 -6.684 12.402 1.00 0.00 C ATOM 530 CG ASP A 34 6.424 -5.715 12.612 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.463 -4.968 13.602 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.332 -5.747 11.697 1.00 0.00 O ATOM 0 H ASP A 34 3.151 -7.959 12.097 1.00 0.00 H new ATOM 0 HA ASP A 34 3.683 -5.224 12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.039 -7.175 13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.574 -7.461 11.706 1.00 0.00 H new ATOM 537 N GLY A 35 4.668 -4.294 10.369 1.00 0.00 N ATOM 538 CA GLY A 35 4.963 -3.689 9.082 1.00 0.00 C ATOM 539 C GLY A 35 3.803 -3.884 8.104 1.00 0.00 C ATOM 540 O GLY A 35 3.990 -3.810 6.891 1.00 0.00 O ATOM 0 H GLY A 35 4.814 -3.682 11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.158 -2.625 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.870 -4.130 8.668 1.00 0.00 H new ATOM 544 N LEU A 36 2.631 -4.131 8.669 1.00 0.00 N ATOM 545 CA LEU A 36 1.440 -4.337 7.862 1.00 0.00 C ATOM 546 C LEU A 36 0.554 -3.092 7.940 1.00 0.00 C ATOM 547 O LEU A 36 0.221 -2.630 9.031 1.00 0.00 O ATOM 548 CB LEU A 36 0.728 -5.625 8.278 1.00 0.00 C ATOM 549 CG LEU A 36 -0.332 -6.150 7.306 1.00 0.00 C ATOM 550 CD1 LEU A 36 0.183 -7.369 6.538 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.644 -6.446 8.035 1.00 0.00 C ATOM 0 H LEU A 36 2.480 -4.193 9.676 1.00 0.00 H new ATOM 0 HA LEU A 36 1.709 -4.472 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.479 -6.402 8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.255 -5.459 9.246 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.538 -5.371 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.590 -7.722 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.071 -7.092 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.435 -8.163 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.380 -6.818 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.471 -7.199 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.017 -5.533 8.499 1.00 0.00 H new ATOM 563 N VAL A 37 0.196 -2.585 6.769 1.00 0.00 N ATOM 564 CA VAL A 37 -0.645 -1.403 6.692 1.00 0.00 C ATOM 565 C VAL A 37 -1.813 -1.674 5.740 1.00 0.00 C ATOM 566 O VAL A 37 -1.609 -1.862 4.541 1.00 0.00 O ATOM 567 CB VAL A 37 0.192 -0.191 6.281 1.00 0.00 C ATOM 568 CG1 VAL A 37 -0.703 0.988 5.892 1.00 0.00 C ATOM 569 CG2 VAL A 37 1.168 0.204 7.390 1.00 0.00 C ATOM 0 H VAL A 37 0.473 -2.971 5.867 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.069 -1.172 7.669 1.00 0.00 H new ATOM 0 HB VAL A 37 0.777 -0.471 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.082 1.836 5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.338 0.702 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.327 1.267 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.750 1.068 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.611 0.455 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.839 -0.629 7.598 1.00 0.00 H new ATOM 579 N TRP A 38 -3.009 -1.687 6.310 1.00 0.00 N ATOM 580 CA TRP A 38 -4.207 -1.932 5.527 1.00 0.00 C ATOM 581 C TRP A 38 -4.484 -0.686 4.683 1.00 0.00 C ATOM 582 O TRP A 38 -3.709 0.269 4.707 1.00 0.00 O ATOM 583 CB TRP A 38 -5.382 -2.316 6.429 1.00 0.00 C ATOM 584 CG TRP A 38 -5.458 -3.810 6.750 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.418 -4.399 7.953 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.588 -4.888 5.798 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.513 -5.772 7.848 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.620 -6.079 6.496 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.676 -4.858 4.396 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.741 -7.327 5.876 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.797 -6.115 3.790 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.831 -7.322 4.478 1.00 0.00 C ATOM 0 H TRP A 38 -3.173 -1.532 7.305 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.064 -2.781 4.858 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.308 -1.758 7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.311 -2.011 5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.323 -3.866 8.888 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.506 -6.439 8.620 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.652 -3.938 3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.764 -8.245 6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.869 -6.149 2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.926 -8.252 3.937 1.00 0.00 H new ATOM 603 N GLY A 39 -5.592 -0.736 3.957 1.00 0.00 N ATOM 604 CA GLY A 39 -5.980 0.377 3.108 1.00 0.00 C ATOM 605 C GLY A 39 -7.502 0.450 2.961 1.00 0.00 C ATOM 606 O GLY A 39 -8.187 0.987 3.830 1.00 0.00 O ATOM 0 H GLY A 39 -6.233 -1.530 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.607 1.309 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.521 0.267 2.126 1.00 0.00 H new ATOM 610 N SER A 40 -7.985 -0.098 1.856 1.00 0.00 N ATOM 611 CA SER A 40 -9.412 -0.101 1.584 1.00 0.00 C ATOM 612 C SER A 40 -9.766 -1.271 0.663 1.00 0.00 C ATOM 613 O SER A 40 -9.090 -1.505 -0.338 1.00 0.00 O ATOM 614 CB SER A 40 -9.857 1.221 0.958 1.00 0.00 C ATOM 615 OG SER A 40 -9.784 2.301 1.884 1.00 0.00 O ATOM 0 H SER A 40 -7.413 -0.543 1.138 1.00 0.00 H new ATOM 0 HA SER A 40 -9.940 -0.218 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.231 1.442 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.880 1.124 0.594 1.00 0.00 H new ATOM 0 HG SER A 40 -9.377 1.989 2.719 1.00 0.00 H new ATOM 621 N SER A 41 -10.826 -1.975 1.033 1.00 0.00 N ATOM 622 CA SER A 41 -11.277 -3.114 0.253 1.00 0.00 C ATOM 623 C SER A 41 -12.335 -2.669 -0.759 1.00 0.00 C ATOM 624 O SER A 41 -12.963 -1.625 -0.588 1.00 0.00 O ATOM 625 CB SER A 41 -11.839 -4.214 1.157 1.00 0.00 C ATOM 626 OG SER A 41 -12.939 -3.754 1.937 1.00 0.00 O ATOM 0 H SER A 41 -11.385 -1.778 1.863 1.00 0.00 H new ATOM 0 HA SER A 41 -10.419 -3.523 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.156 -5.059 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.052 -4.577 1.818 1.00 0.00 H new ATOM 0 HG SER A 41 -12.796 -3.993 2.877 1.00 0.00 H new ATOM 632 N LYS A 42 -12.499 -3.481 -1.792 1.00 0.00 N ATOM 633 CA LYS A 42 -13.469 -3.184 -2.832 1.00 0.00 C ATOM 634 C LYS A 42 -14.415 -4.375 -2.997 1.00 0.00 C ATOM 635 O LYS A 42 -14.080 -5.496 -2.615 1.00 0.00 O ATOM 636 CB LYS A 42 -12.761 -2.778 -4.126 1.00 0.00 C ATOM 637 CG LYS A 42 -11.531 -1.916 -3.830 1.00 0.00 C ATOM 638 CD LYS A 42 -11.567 -0.615 -4.635 1.00 0.00 C ATOM 639 CE LYS A 42 -11.675 -0.900 -6.134 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.415 -0.537 -6.822 1.00 0.00 N ATOM 0 H LYS A 42 -11.976 -4.346 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.080 -2.327 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.461 -3.670 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.451 -2.227 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.490 -1.688 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.626 -2.473 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.414 -0.008 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.666 -0.035 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.893 -1.956 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.504 -0.335 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.505 -0.737 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.223 0.476 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.631 -1.095 -6.428 1.00 0.00 H new ATOM 654 N LEU A 43 -15.577 -4.093 -3.567 1.00 0.00 N ATOM 655 CA LEU A 43 -16.573 -5.127 -3.788 1.00 0.00 C ATOM 656 C LEU A 43 -16.838 -5.263 -5.288 1.00 0.00 C ATOM 657 O LEU A 43 -16.645 -4.312 -6.044 1.00 0.00 O ATOM 658 CB LEU A 43 -17.832 -4.843 -2.964 1.00 0.00 C ATOM 659 CG LEU A 43 -17.933 -5.571 -1.622 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.682 -7.070 -1.791 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.995 -4.946 -0.587 1.00 0.00 C ATOM 0 H LEU A 43 -15.851 -3.163 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.203 -6.092 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.886 -3.770 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.703 -5.107 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.950 -5.455 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.760 -7.563 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.423 -7.489 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.684 -7.228 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.086 -5.482 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.967 -5.010 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.263 -3.900 -0.438 1.00 0.00 H new ATOM 673 N VAL A 44 -17.277 -6.451 -5.675 1.00 0.00 N ATOM 674 CA VAL A 44 -17.570 -6.724 -7.071 1.00 0.00 C ATOM 675 C VAL A 44 -18.637 -7.817 -7.160 1.00 0.00 C ATOM 676 O VAL A 44 -18.345 -8.993 -6.953 1.00 0.00 O ATOM 677 CB VAL A 44 -16.283 -7.084 -7.816 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.589 -7.872 -9.091 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.463 -5.830 -8.129 1.00 0.00 C ATOM 0 H VAL A 44 -17.437 -7.237 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.973 -5.835 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.685 -7.722 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.657 -8.115 -9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.112 -8.793 -8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.216 -7.270 -9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.553 -6.113 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.051 -5.157 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.200 -5.326 -7.199 1.00 0.00 H new ATOM 689 N PRO A 45 -19.885 -7.378 -7.476 1.00 0.00 N ATOM 690 CA PRO A 45 -20.997 -8.305 -7.596 1.00 0.00 C ATOM 691 C PRO A 45 -20.909 -9.103 -8.899 1.00 0.00 C ATOM 692 O PRO A 45 -20.624 -8.542 -9.956 1.00 0.00 O ATOM 693 CB PRO A 45 -22.243 -7.438 -7.513 1.00 0.00 C ATOM 694 CG PRO A 45 -21.785 -6.021 -7.818 1.00 0.00 C ATOM 695 CD PRO A 45 -20.268 -5.991 -7.730 1.00 0.00 C ATOM 0 HA PRO A 45 -21.001 -9.061 -6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.997 -7.767 -8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.695 -7.498 -6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.116 -5.719 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.222 -5.318 -7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.825 -5.620 -8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.930 -5.334 -6.929 1.00 0.00 H new ATOM 703 N VAL A 46 -21.160 -10.398 -8.781 1.00 0.00 N ATOM 704 CA VAL A 46 -21.113 -11.277 -9.935 1.00 0.00 C ATOM 705 C VAL A 46 -22.527 -11.766 -10.258 1.00 0.00 C ATOM 706 O VAL A 46 -23.137 -11.315 -11.226 1.00 0.00 O ATOM 707 CB VAL A 46 -20.129 -12.422 -9.682 1.00 0.00 C ATOM 708 CG1 VAL A 46 -20.293 -13.528 -10.727 1.00 0.00 C ATOM 709 CG2 VAL A 46 -18.688 -11.908 -9.649 1.00 0.00 C ATOM 0 H VAL A 46 -21.397 -10.860 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.747 -10.738 -10.809 1.00 0.00 H new ATOM 0 HB VAL A 46 -20.356 -12.849 -8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.582 -14.329 -10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -21.308 -13.923 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.106 -13.120 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.009 -12.741 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.445 -11.443 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.582 -11.173 -8.851 1.00 0.00 H new ATOM 719 N GLY A 47 -23.007 -12.681 -9.428 1.00 0.00 N ATOM 720 CA GLY A 47 -24.336 -13.235 -9.612 1.00 0.00 C ATOM 721 C GLY A 47 -24.980 -13.576 -8.266 1.00 0.00 C ATOM 722 O GLY A 47 -24.281 -13.819 -7.284 1.00 0.00 O ATOM 0 H GLY A 47 -22.498 -13.052 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.961 -12.520 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.278 -14.132 -10.229 1.00 0.00 H new ATOM 726 N TYR A 48 -26.305 -13.582 -8.266 1.00 0.00 N ATOM 727 CA TYR A 48 -27.051 -13.889 -7.056 1.00 0.00 C ATOM 728 C TYR A 48 -26.608 -12.994 -5.897 1.00 0.00 C ATOM 729 O TYR A 48 -25.995 -11.949 -6.113 1.00 0.00 O ATOM 730 CB TYR A 48 -26.722 -15.344 -6.716 1.00 0.00 C ATOM 731 CG TYR A 48 -27.924 -16.288 -6.796 1.00 0.00 C ATOM 732 CD1 TYR A 48 -28.960 -16.164 -5.893 1.00 0.00 C ATOM 733 CD2 TYR A 48 -27.971 -17.264 -7.770 1.00 0.00 C ATOM 734 CE1 TYR A 48 -30.091 -17.052 -5.967 1.00 0.00 C ATOM 735 CE2 TYR A 48 -29.102 -18.152 -7.845 1.00 0.00 C ATOM 736 CZ TYR A 48 -30.106 -18.003 -6.940 1.00 0.00 C ATOM 737 OH TYR A 48 -31.174 -18.841 -7.011 1.00 0.00 O ATOM 0 H TYR A 48 -26.881 -13.380 -9.083 1.00 0.00 H new ATOM 0 HA TYR A 48 -28.118 -13.727 -7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -25.948 -15.699 -7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -26.306 -15.386 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -28.922 -15.400 -5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -27.160 -17.362 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.908 -16.965 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.152 -18.919 -8.603 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.049 -19.468 -7.754 1.00 0.00 H new ATOM 747 N GLY A 49 -26.935 -13.436 -4.692 1.00 0.00 N ATOM 748 CA GLY A 49 -26.579 -12.688 -3.498 1.00 0.00 C ATOM 749 C GLY A 49 -25.128 -12.957 -3.096 1.00 0.00 C ATOM 750 O GLY A 49 -24.846 -13.257 -1.937 1.00 0.00 O ATOM 0 H GLY A 49 -27.443 -14.303 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -26.719 -11.622 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.244 -12.964 -2.680 1.00 0.00 H new ATOM 754 N ILE A 50 -24.243 -12.840 -4.076 1.00 0.00 N ATOM 755 CA ILE A 50 -22.828 -13.066 -3.839 1.00 0.00 C ATOM 756 C ILE A 50 -22.033 -11.856 -4.334 1.00 0.00 C ATOM 757 O ILE A 50 -22.530 -11.068 -5.136 1.00 0.00 O ATOM 758 CB ILE A 50 -22.385 -14.390 -4.463 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.053 -15.577 -3.765 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.860 -14.512 -4.468 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.319 -16.716 -4.751 1.00 0.00 C ATOM 0 H ILE A 50 -24.480 -12.591 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.631 -13.162 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.712 -14.403 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.415 -15.933 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.992 -15.256 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.573 -15.463 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.431 -13.693 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.488 -14.467 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.794 -17.546 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -23.977 -16.363 -5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.376 -17.051 -5.183 1.00 0.00 H new ATOM 773 N LYS A 51 -20.810 -11.747 -3.834 1.00 0.00 N ATOM 774 CA LYS A 51 -19.941 -10.647 -4.215 1.00 0.00 C ATOM 775 C LYS A 51 -18.482 -11.099 -4.122 1.00 0.00 C ATOM 776 O LYS A 51 -18.189 -12.147 -3.547 1.00 0.00 O ATOM 777 CB LYS A 51 -20.254 -9.404 -3.379 1.00 0.00 C ATOM 778 CG LYS A 51 -21.397 -8.599 -4.001 1.00 0.00 C ATOM 779 CD LYS A 51 -22.619 -8.583 -3.082 1.00 0.00 C ATOM 780 CE LYS A 51 -23.745 -7.736 -3.680 1.00 0.00 C ATOM 781 NZ LYS A 51 -25.063 -8.334 -3.372 1.00 0.00 N ATOM 0 H LYS A 51 -20.401 -12.403 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.121 -10.361 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.523 -9.701 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.364 -8.779 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.066 -7.578 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.668 -9.030 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.971 -9.602 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.339 -8.186 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.697 -6.723 -3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.617 -7.660 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.816 -7.747 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.112 -9.292 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.189 -8.384 -2.341 1.00 0.00 H new ATOM 795 N LYS A 52 -17.608 -10.288 -4.697 1.00 0.00 N ATOM 796 CA LYS A 52 -16.186 -10.591 -4.687 1.00 0.00 C ATOM 797 C LYS A 52 -15.559 -10.032 -3.408 1.00 0.00 C ATOM 798 O LYS A 52 -15.752 -8.863 -3.077 1.00 0.00 O ATOM 799 CB LYS A 52 -15.521 -10.088 -5.969 1.00 0.00 C ATOM 800 CG LYS A 52 -14.949 -11.250 -6.783 1.00 0.00 C ATOM 801 CD LYS A 52 -14.440 -10.769 -8.143 1.00 0.00 C ATOM 802 CE LYS A 52 -14.896 -11.707 -9.262 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.013 -11.572 -10.443 1.00 0.00 N ATOM 0 H LYS A 52 -17.856 -9.421 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.027 -11.669 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.248 -9.542 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.724 -9.388 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.134 -11.719 -6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.716 -12.011 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.807 -9.761 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.351 -10.715 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.885 -12.738 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.924 -11.477 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.336 -12.215 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.044 -10.592 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.037 -11.814 -10.176 1.00 0.00 H new ATOM 817 N LEU A 53 -14.821 -10.894 -2.723 1.00 0.00 N ATOM 818 CA LEU A 53 -14.165 -10.500 -1.489 1.00 0.00 C ATOM 819 C LEU A 53 -12.768 -9.963 -1.807 1.00 0.00 C ATOM 820 O LEU A 53 -11.765 -10.591 -1.471 1.00 0.00 O ATOM 821 CB LEU A 53 -14.164 -11.658 -0.489 1.00 0.00 C ATOM 822 CG LEU A 53 -14.919 -11.415 0.820 1.00 0.00 C ATOM 823 CD1 LEU A 53 -14.021 -10.727 1.851 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.209 -10.632 0.571 1.00 0.00 C ATOM 0 H LEU A 53 -14.663 -11.863 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.716 -9.692 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.594 -12.533 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.130 -11.903 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.204 -12.382 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.582 -10.566 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.156 -11.357 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.685 -9.767 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.726 -10.473 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.969 -9.668 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.853 -11.196 -0.104 1.00 0.00 H new ATOM 836 N GLN A 54 -12.746 -8.807 -2.453 1.00 0.00 N ATOM 837 CA GLN A 54 -11.489 -8.178 -2.822 1.00 0.00 C ATOM 838 C GLN A 54 -11.069 -7.166 -1.754 1.00 0.00 C ATOM 839 O GLN A 54 -11.908 -6.458 -1.200 1.00 0.00 O ATOM 840 CB GLN A 54 -11.590 -7.514 -4.196 1.00 0.00 C ATOM 841 CG GLN A 54 -10.393 -6.596 -4.451 1.00 0.00 C ATOM 842 CD GLN A 54 -9.895 -6.731 -5.892 1.00 0.00 C ATOM 843 OE1 GLN A 54 -9.082 -7.580 -6.217 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.426 -5.848 -6.733 1.00 0.00 N ATOM 0 H GLN A 54 -13.579 -8.289 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.723 -8.951 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.638 -8.279 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.514 -6.939 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.675 -5.562 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.587 -6.843 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.102 -5.164 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.157 -5.855 -7.717 1.00 0.00 H new ATOM 853 N ILE A 55 -9.769 -7.130 -1.497 1.00 0.00 N ATOM 854 CA ILE A 55 -9.228 -6.217 -0.505 1.00 0.00 C ATOM 855 C ILE A 55 -7.840 -5.751 -0.952 1.00 0.00 C ATOM 856 O ILE A 55 -7.205 -6.392 -1.788 1.00 0.00 O ATOM 857 CB ILE A 55 -9.242 -6.862 0.882 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.839 -7.316 1.292 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.255 -8.007 0.944 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.378 -8.504 0.445 1.00 0.00 C ATOM 0 H ILE A 55 -9.075 -7.718 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.854 -5.328 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.560 -6.110 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.138 -6.489 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.836 -7.593 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.245 -8.448 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.252 -7.623 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.991 -8.767 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.378 -8.807 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.068 -9.337 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.359 -8.216 -0.606 1.00 0.00 H new ATOM 872 N GLN A 56 -7.410 -4.639 -0.374 1.00 0.00 N ATOM 873 CA GLN A 56 -6.110 -4.080 -0.702 1.00 0.00 C ATOM 874 C GLN A 56 -5.327 -3.772 0.576 1.00 0.00 C ATOM 875 O GLN A 56 -5.905 -3.349 1.576 1.00 0.00 O ATOM 876 CB GLN A 56 -6.256 -2.827 -1.570 1.00 0.00 C ATOM 877 CG GLN A 56 -4.895 -2.173 -1.820 1.00 0.00 C ATOM 878 CD GLN A 56 -4.796 -0.825 -1.102 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.579 0.083 -1.321 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.789 -0.748 -0.236 1.00 0.00 N ATOM 0 H GLN A 56 -7.939 -4.110 0.319 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.553 -4.819 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.717 -3.091 -2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.921 -2.116 -1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.101 -2.834 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.747 -2.031 -2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.170 -1.547 -0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.636 0.110 0.293 1.00 0.00 H new ATOM 889 N CYS A 57 -4.024 -3.997 0.501 1.00 0.00 N ATOM 890 CA CYS A 57 -3.155 -3.749 1.640 1.00 0.00 C ATOM 891 C CYS A 57 -1.862 -3.111 1.128 1.00 0.00 C ATOM 892 O CYS A 57 -1.665 -2.982 -0.080 1.00 0.00 O ATOM 893 CB CYS A 57 -2.884 -5.029 2.433 1.00 0.00 C ATOM 894 SG CYS A 57 -2.538 -6.414 1.289 1.00 0.00 S ATOM 0 H CYS A 57 -3.548 -4.348 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.646 -3.066 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.037 -4.879 3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.745 -5.269 3.057 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.023 -6.138 0.115 1.00 0.00 H new ATOM 900 N VAL A 58 -1.014 -2.729 2.071 1.00 0.00 N ATOM 901 CA VAL A 58 0.254 -2.107 1.731 1.00 0.00 C ATOM 902 C VAL A 58 1.369 -2.745 2.563 1.00 0.00 C ATOM 903 O VAL A 58 1.711 -2.246 3.634 1.00 0.00 O ATOM 904 CB VAL A 58 0.161 -0.592 1.917 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.511 0.077 1.655 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.928 0.005 1.024 1.00 0.00 C ATOM 0 H VAL A 58 -1.180 -2.838 3.071 1.00 0.00 H new ATOM 0 HA VAL A 58 0.493 -2.277 0.681 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.113 -0.399 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.416 1.154 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.253 -0.315 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.827 -0.130 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.973 1.083 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.698 -0.205 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.891 -0.438 1.279 1.00 0.00 H new ATOM 916 N VAL A 59 1.904 -3.838 2.039 1.00 0.00 N ATOM 917 CA VAL A 59 2.973 -4.548 2.720 1.00 0.00 C ATOM 918 C VAL A 59 4.314 -3.902 2.368 1.00 0.00 C ATOM 919 O VAL A 59 4.369 -2.980 1.555 1.00 0.00 O ATOM 920 CB VAL A 59 2.917 -6.036 2.372 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.471 -6.527 2.291 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.667 -6.323 1.068 1.00 0.00 C ATOM 0 H VAL A 59 1.617 -4.249 1.151 1.00 0.00 H new ATOM 0 HA VAL A 59 2.851 -4.476 3.801 1.00 0.00 H new ATOM 0 HB VAL A 59 3.413 -6.585 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.460 -7.588 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.981 -6.375 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.940 -5.968 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.612 -7.388 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.213 -5.757 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.711 -6.029 1.176 1.00 0.00 H new ATOM 932 N GLU A 60 5.363 -4.410 2.998 1.00 0.00 N ATOM 933 CA GLU A 60 6.700 -3.893 2.762 1.00 0.00 C ATOM 934 C GLU A 60 7.302 -4.531 1.507 1.00 0.00 C ATOM 935 O GLU A 60 6.617 -5.252 0.784 1.00 0.00 O ATOM 936 CB GLU A 60 7.600 -4.123 3.978 1.00 0.00 C ATOM 937 CG GLU A 60 7.616 -2.892 4.888 1.00 0.00 C ATOM 938 CD GLU A 60 6.598 -3.037 6.022 1.00 0.00 C ATOM 939 OE1 GLU A 60 6.579 -4.192 6.594 1.00 0.00 O ATOM 940 OE2 GLU A 60 5.869 -2.080 6.325 1.00 0.00 O ATOM 0 H GLU A 60 5.314 -5.174 3.672 1.00 0.00 H new ATOM 0 HA GLU A 60 6.629 -2.817 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.247 -4.989 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.614 -4.349 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.614 -2.756 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.391 -2.000 4.304 1.00 0.00 H new ATOM 947 N ASP A 61 8.576 -4.241 1.288 1.00 0.00 N ATOM 948 CA ASP A 61 9.277 -4.777 0.134 1.00 0.00 C ATOM 949 C ASP A 61 9.613 -6.249 0.385 1.00 0.00 C ATOM 950 O ASP A 61 9.216 -7.120 -0.387 1.00 0.00 O ATOM 951 CB ASP A 61 10.589 -4.028 -0.111 1.00 0.00 C ATOM 952 CG ASP A 61 11.633 -4.799 -0.920 1.00 0.00 C ATOM 953 OD1 ASP A 61 11.298 -5.713 -1.690 1.00 0.00 O ATOM 954 OD2 ASP A 61 12.853 -4.425 -0.734 1.00 0.00 O ATOM 0 H ASP A 61 9.141 -3.642 1.890 1.00 0.00 H new ATOM 0 HA ASP A 61 8.630 -4.664 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.366 -3.095 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.023 -3.761 0.853 1.00 0.00 H new ATOM 959 N ASP A 62 10.342 -6.481 1.467 1.00 0.00 N ATOM 960 CA ASP A 62 10.736 -7.831 1.829 1.00 0.00 C ATOM 961 C ASP A 62 10.471 -8.052 3.320 1.00 0.00 C ATOM 962 O ASP A 62 11.107 -8.898 3.947 1.00 0.00 O ATOM 963 CB ASP A 62 12.227 -8.057 1.574 1.00 0.00 C ATOM 964 CG ASP A 62 12.704 -9.499 1.759 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.101 -9.904 2.861 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.655 -10.230 0.697 1.00 0.00 O ATOM 0 H ASP A 62 10.670 -5.756 2.105 1.00 0.00 H new ATOM 0 HA ASP A 62 10.158 -8.526 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.458 -7.742 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.796 -7.413 2.244 1.00 0.00 H new ATOM 971 N LYS A 63 9.532 -7.279 3.843 1.00 0.00 N ATOM 972 CA LYS A 63 9.176 -7.380 5.248 1.00 0.00 C ATOM 973 C LYS A 63 7.857 -8.143 5.382 1.00 0.00 C ATOM 974 O LYS A 63 7.691 -8.946 6.299 1.00 0.00 O ATOM 975 CB LYS A 63 9.153 -5.993 5.896 1.00 0.00 C ATOM 976 CG LYS A 63 10.038 -5.956 7.143 1.00 0.00 C ATOM 977 CD LYS A 63 11.459 -5.510 6.794 1.00 0.00 C ATOM 978 CE LYS A 63 12.497 -6.339 7.554 1.00 0.00 C ATOM 979 NZ LYS A 63 13.806 -5.651 7.561 1.00 0.00 N ATOM 0 H LYS A 63 9.006 -6.579 3.319 1.00 0.00 H new ATOM 0 HA LYS A 63 9.930 -7.949 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.497 -5.247 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.130 -5.730 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.609 -5.274 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.066 -6.944 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.622 -5.611 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.583 -4.455 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.161 -6.504 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.598 -7.320 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.498 -6.227 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.133 -5.516 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.709 -4.725 8.024 1.00 0.00 H new ATOM 993 N VAL A 64 6.953 -7.866 4.453 1.00 0.00 N ATOM 994 CA VAL A 64 5.654 -8.517 4.457 1.00 0.00 C ATOM 995 C VAL A 64 5.252 -8.850 3.018 1.00 0.00 C ATOM 996 O VAL A 64 5.602 -8.126 2.088 1.00 0.00 O ATOM 997 CB VAL A 64 4.630 -7.637 5.175 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.212 -8.182 4.988 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.972 -7.497 6.659 1.00 0.00 C ATOM 0 H VAL A 64 7.095 -7.200 3.693 1.00 0.00 H new ATOM 0 HA VAL A 64 5.699 -9.456 5.008 1.00 0.00 H new ATOM 0 HB VAL A 64 4.669 -6.644 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.503 -7.538 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.969 -8.206 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.153 -9.191 5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.228 -6.866 7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.975 -8.482 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.957 -7.043 6.764 1.00 0.00 H new ATOM 1009 N GLY A 65 4.522 -9.948 2.881 1.00 0.00 N ATOM 1010 CA GLY A 65 4.070 -10.386 1.571 1.00 0.00 C ATOM 1011 C GLY A 65 2.562 -10.650 1.573 1.00 0.00 C ATOM 1012 O GLY A 65 1.765 -9.714 1.561 1.00 0.00 O ATOM 0 H GLY A 65 4.233 -10.546 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.309 -9.626 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.602 -11.293 1.283 1.00 0.00 H new ATOM 1016 N THR A 66 2.218 -11.929 1.588 1.00 0.00 N ATOM 1017 CA THR A 66 0.821 -12.328 1.591 1.00 0.00 C ATOM 1018 C THR A 66 0.683 -13.787 2.030 1.00 0.00 C ATOM 1019 O THR A 66 -0.265 -14.468 1.644 1.00 0.00 O ATOM 1020 CB THR A 66 0.248 -12.056 0.198 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.008 -10.651 0.189 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.138 -12.673 0.004 1.00 0.00 C ATOM 0 H THR A 66 2.883 -12.703 1.598 1.00 0.00 H new ATOM 0 HA THR A 66 0.247 -11.748 2.314 1.00 0.00 H new ATOM 0 HB THR A 66 0.929 -12.449 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.320 -10.260 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.498 -12.450 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.077 -13.753 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.828 -12.256 0.738 1.00 0.00 H new ATOM 1030 N ASP A 67 1.644 -14.224 2.831 1.00 0.00 N ATOM 1031 CA ASP A 67 1.643 -15.589 3.327 1.00 0.00 C ATOM 1032 C ASP A 67 0.890 -15.643 4.658 1.00 0.00 C ATOM 1033 O ASP A 67 0.092 -16.551 4.887 1.00 0.00 O ATOM 1034 CB ASP A 67 3.068 -16.088 3.570 1.00 0.00 C ATOM 1035 CG ASP A 67 3.934 -15.174 4.439 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.415 -14.141 3.833 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.139 -15.435 5.634 1.00 0.00 O ATOM 0 H ASP A 67 2.429 -13.656 3.149 1.00 0.00 H new ATOM 0 HA ASP A 67 1.163 -16.219 2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.018 -17.070 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.560 -16.221 2.606 1.00 0.00 H new ATOM 1042 N MET A 68 1.170 -14.659 5.500 1.00 0.00 N ATOM 1043 CA MET A 68 0.528 -14.583 6.802 1.00 0.00 C ATOM 1044 C MET A 68 -0.917 -14.098 6.674 1.00 0.00 C ATOM 1045 O MET A 68 -1.836 -14.732 7.191 1.00 0.00 O ATOM 1046 CB MET A 68 1.310 -13.625 7.701 1.00 0.00 C ATOM 1047 CG MET A 68 1.309 -14.109 9.152 1.00 0.00 C ATOM 1048 SD MET A 68 1.385 -12.713 10.263 1.00 0.00 S ATOM 1049 CE MET A 68 -0.292 -12.117 10.125 1.00 0.00 C ATOM 0 H MET A 68 1.832 -13.908 5.306 1.00 0.00 H new ATOM 0 HA MET A 68 0.519 -15.581 7.240 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.336 -13.541 7.343 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.871 -12.629 7.646 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.409 -14.692 9.349 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.160 -14.768 9.325 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.570 -11.598 11.042 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.366 -11.430 9.282 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.966 -12.959 9.966 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.073 -12.979 5.981 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.391 -12.402 5.779 1.00 0.00 C ATOM 1061 C LEU A 69 -3.322 -13.463 5.189 1.00 0.00 C ATOM 1062 O LEU A 69 -4.530 -13.430 5.419 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.295 -11.131 4.934 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.663 -9.917 5.617 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.559 -8.735 4.651 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.422 -9.549 6.893 1.00 0.00 C ATOM 0 H LEU A 69 -0.309 -12.457 5.553 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.822 -12.093 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.720 -11.358 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.299 -10.858 4.609 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.647 -10.182 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.106 -7.886 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.942 -9.016 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.555 -8.460 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.952 -8.683 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.456 -9.311 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.399 -10.390 7.585 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.726 -14.379 4.440 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.487 -15.447 3.816 1.00 0.00 C ATOM 1080 C GLU A 70 -3.887 -16.493 4.859 1.00 0.00 C ATOM 1081 O GLU A 70 -5.070 -16.775 5.037 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.697 -16.088 2.673 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.475 -17.249 2.052 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.531 -18.233 1.358 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.384 -17.878 1.047 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.026 -19.405 1.143 1.00 0.00 O ATOM 0 H GLU A 70 -1.724 -14.403 4.251 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.395 -15.019 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.483 -15.340 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.738 -16.447 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.041 -17.767 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.197 -16.864 1.332 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.877 -17.039 5.521 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.110 -18.046 6.541 1.00 0.00 C ATOM 1095 C GLU A 71 -4.019 -17.490 7.640 1.00 0.00 C ATOM 1096 O GLU A 71 -4.535 -18.244 8.463 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.788 -18.549 7.126 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.356 -17.694 8.319 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.044 -18.208 8.917 1.00 0.00 C ATOM 1100 OE1 GLU A 71 0.870 -18.500 8.054 1.00 0.00 O ATOM 1101 OE2 GLU A 71 0.076 -18.319 10.146 1.00 0.00 O ATOM 0 H GLU A 71 -1.896 -16.803 5.370 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.612 -18.895 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.896 -19.588 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.014 -18.526 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.234 -16.658 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.136 -17.706 9.080 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.186 -16.177 7.616 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.024 -15.511 8.599 1.00 0.00 C ATOM 1110 C GLN A 72 -6.428 -15.285 8.034 1.00 0.00 C ATOM 1111 O GLN A 72 -7.422 -15.545 8.711 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.397 -14.192 9.052 1.00 0.00 C ATOM 1113 CG GLN A 72 -2.999 -14.420 9.631 1.00 0.00 C ATOM 1114 CD GLN A 72 -2.971 -14.114 11.130 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.609 -13.194 11.614 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -2.197 -14.935 11.835 1.00 0.00 N ATOM 0 H GLN A 72 -3.755 -15.555 6.931 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.105 -16.156 9.474 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.337 -13.505 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.033 -13.722 9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.695 -15.453 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.279 -13.786 9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.690 -15.686 11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.111 -14.814 12.844 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.465 -14.805 6.801 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.730 -14.542 6.137 1.00 0.00 C ATOM 1127 C ILE A 73 -8.353 -15.866 5.692 1.00 0.00 C ATOM 1128 O ILE A 73 -9.504 -16.155 6.018 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.539 -13.539 4.997 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.072 -12.183 5.532 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.811 -13.416 4.155 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.135 -11.494 4.537 1.00 0.00 C ATOM 0 H ILE A 73 -5.638 -14.591 6.243 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.432 -14.075 6.828 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.754 -13.914 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.936 -11.547 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.560 -12.321 6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.648 -12.697 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.060 -14.387 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.633 -13.076 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.818 -10.533 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.261 -12.122 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.658 -11.336 3.594 1.00 0.00 H new ATOM 1144 N THR A 74 -7.567 -16.636 4.954 1.00 0.00 N ATOM 1145 CA THR A 74 -8.027 -17.923 4.462 1.00 0.00 C ATOM 1146 C THR A 74 -8.159 -18.920 5.615 1.00 0.00 C ATOM 1147 O THR A 74 -8.779 -19.972 5.464 1.00 0.00 O ATOM 1148 CB THR A 74 -7.061 -18.384 3.369 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.891 -18.774 4.081 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.590 -17.231 2.480 1.00 0.00 C ATOM 0 H THR A 74 -6.614 -16.393 4.685 1.00 0.00 H new ATOM 0 HA THR A 74 -9.023 -17.846 4.025 1.00 0.00 H new ATOM 0 HB THR A 74 -7.545 -19.143 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.618 -18.050 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.907 -17.612 1.721 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.451 -16.771 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.077 -16.488 3.090 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.566 -18.553 6.743 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.610 -19.401 7.921 1.00 0.00 C ATOM 1160 C ALA A 75 -9.055 -19.830 8.183 1.00 0.00 C ATOM 1161 O ALA A 75 -9.297 -20.873 8.789 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.000 -18.656 9.109 1.00 0.00 C ATOM 0 H ALA A 75 -7.053 -17.680 6.865 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.021 -20.305 7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.033 -19.292 9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.965 -18.400 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.567 -17.744 9.297 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.979 -19.004 7.712 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.393 -19.286 7.887 1.00 0.00 C ATOM 1170 C PHE A 76 -11.942 -20.089 6.707 1.00 0.00 C ATOM 1171 O PHE A 76 -12.494 -19.520 5.766 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.113 -17.936 7.949 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.589 -17.549 9.351 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.265 -18.450 10.112 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.335 -16.304 9.835 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.708 -18.090 11.413 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.777 -15.944 11.136 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.453 -16.845 11.897 1.00 0.00 C ATOM 0 H PHE A 76 -9.775 -18.140 7.210 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.547 -19.872 8.793 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.443 -17.161 7.577 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.972 -17.963 7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.465 -19.439 9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.797 -15.589 9.230 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.247 -18.805 12.017 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.576 -14.955 11.520 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.788 -16.572 12.887 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.774 -21.401 6.795 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.247 -22.288 5.747 1.00 0.00 C ATOM 1190 C GLU A 77 -13.767 -22.436 5.821 1.00 0.00 C ATOM 1191 O GLU A 77 -14.375 -23.079 4.967 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.559 -23.653 5.833 1.00 0.00 C ATOM 1193 CG GLU A 77 -10.784 -23.957 4.550 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.652 -24.734 3.557 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -12.844 -24.429 3.405 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -11.045 -25.685 2.930 1.00 0.00 O ATOM 0 H GLU A 77 -11.317 -21.870 7.577 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.992 -21.848 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.880 -23.669 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.304 -24.430 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.448 -23.026 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.891 -24.535 4.788 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.339 -21.829 6.851 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.778 -21.885 7.049 1.00 0.00 C ATOM 1205 C ASP A 78 -16.416 -20.616 6.480 1.00 0.00 C ATOM 1206 O ASP A 78 -17.552 -20.285 6.813 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.128 -21.964 8.536 1.00 0.00 C ATOM 1208 CG ASP A 78 -16.102 -23.373 9.132 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -16.412 -24.360 8.450 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -15.742 -23.434 10.369 1.00 0.00 O ATOM 0 H ASP A 78 -13.832 -21.296 7.557 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.153 -22.775 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.430 -21.338 9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.122 -21.542 8.683 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.656 -19.940 5.630 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.133 -18.714 5.012 1.00 0.00 C ATOM 1217 C TYR A 79 -15.478 -18.498 3.646 1.00 0.00 C ATOM 1218 O TYR A 79 -16.149 -18.139 2.682 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.716 -17.579 5.949 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.646 -17.391 7.150 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.867 -16.766 6.986 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -16.265 -17.843 8.397 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -18.742 -16.590 8.116 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -17.140 -17.666 9.525 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.335 -17.048 9.330 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.162 -16.879 10.397 1.00 0.00 O ATOM 0 H TYR A 79 -14.714 -20.218 5.355 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.212 -18.756 4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.706 -17.773 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.678 -16.649 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.165 -16.410 6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.310 -18.330 8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -19.700 -16.105 8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.854 -18.017 10.506 1.00 0.00 H new ATOM 0 HH TYR A 79 -18.743 -17.255 11.199 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.173 -18.728 3.609 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.419 -18.563 2.378 1.00 0.00 C ATOM 1238 C VAL A 80 -13.522 -19.842 1.546 1.00 0.00 C ATOM 1239 O VAL A 80 -13.240 -20.932 2.041 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.975 -18.172 2.696 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.107 -18.204 1.437 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.914 -16.798 3.368 1.00 0.00 C ATOM 0 H VAL A 80 -13.619 -19.027 4.412 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.837 -17.752 1.781 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.577 -18.906 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.086 -17.922 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.112 -19.210 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.505 -17.503 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.876 -16.544 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.340 -16.048 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.482 -16.822 4.298 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.927 -19.668 0.297 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.072 -20.795 -0.608 1.00 0.00 C ATOM 1254 C GLN A 81 -12.729 -21.125 -1.263 1.00 0.00 C ATOM 1255 O GLN A 81 -12.403 -22.293 -1.467 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.144 -20.518 -1.663 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.480 -21.787 -2.451 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.770 -21.461 -3.917 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -15.737 -20.319 -4.344 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.053 -22.527 -4.661 1.00 0.00 N ATOM 0 H GLN A 81 -14.160 -18.762 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.395 -21.661 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.044 -20.136 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.795 -19.743 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.649 -22.489 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.346 -22.277 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.063 -23.455 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.260 -22.416 -5.654 1.00 0.00 H new ATOM 1269 N SER A 82 -11.986 -20.073 -1.576 1.00 0.00 N ATOM 1270 CA SER A 82 -10.685 -20.236 -2.205 1.00 0.00 C ATOM 1271 C SER A 82 -10.049 -18.867 -2.452 1.00 0.00 C ATOM 1272 O SER A 82 -10.569 -18.067 -3.229 1.00 0.00 O ATOM 1273 CB SER A 82 -10.802 -21.011 -3.519 1.00 0.00 C ATOM 1274 OG SER A 82 -10.843 -22.420 -3.305 1.00 0.00 O ATOM 0 H SER A 82 -12.260 -19.105 -1.406 1.00 0.00 H new ATOM 0 HA SER A 82 -10.049 -20.810 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.703 -20.698 -4.046 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.956 -20.766 -4.161 1.00 0.00 H new ATOM 0 HG SER A 82 -11.094 -22.603 -2.375 1.00 0.00 H new ATOM 1280 N MET A 83 -8.933 -18.638 -1.775 1.00 0.00 N ATOM 1281 CA MET A 83 -8.220 -17.380 -1.911 1.00 0.00 C ATOM 1282 C MET A 83 -7.252 -17.423 -3.096 1.00 0.00 C ATOM 1283 O MET A 83 -6.760 -18.490 -3.462 1.00 0.00 O ATOM 1284 CB MET A 83 -7.441 -17.092 -0.626 1.00 0.00 C ATOM 1285 CG MET A 83 -6.485 -15.912 -0.816 1.00 0.00 C ATOM 1286 SD MET A 83 -4.926 -16.488 -1.466 1.00 0.00 S ATOM 1287 CE MET A 83 -3.813 -15.357 -0.648 1.00 0.00 C ATOM 0 H MET A 83 -8.505 -19.303 -1.131 1.00 0.00 H new ATOM 0 HA MET A 83 -8.949 -16.589 -2.089 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.137 -16.874 0.184 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.877 -17.977 -0.332 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.925 -15.183 -1.496 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.326 -15.405 0.136 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.857 -15.850 -0.473 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.659 -14.480 -1.277 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.243 -15.049 0.305 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.007 -16.250 -3.662 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.108 -16.141 -4.798 1.00 0.00 C ATOM 1299 C ASP A 84 -5.498 -14.738 -4.827 1.00 0.00 C ATOM 1300 O ASP A 84 -5.705 -13.949 -3.906 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.853 -16.359 -6.115 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.928 -17.814 -6.583 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -5.929 -18.548 -6.551 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -8.088 -18.194 -7.000 1.00 0.00 O ATOM 0 H ASP A 84 -7.415 -15.367 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.337 -16.904 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.867 -15.975 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.368 -15.768 -6.892 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.759 -14.471 -5.893 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.118 -13.176 -6.054 1.00 0.00 C ATOM 1311 C VAL A 85 -4.833 -12.392 -7.155 1.00 0.00 C ATOM 1312 O VAL A 85 -5.291 -12.971 -8.139 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.624 -13.363 -6.327 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.382 -13.832 -7.763 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.848 -12.077 -6.031 1.00 0.00 C ATOM 0 H VAL A 85 -4.589 -15.129 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.197 -12.593 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.256 -14.139 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.312 -13.957 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.888 -14.784 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.773 -13.090 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.789 -12.236 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.221 -11.273 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.981 -11.805 -4.984 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.905 -11.084 -6.954 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.557 -10.214 -7.919 1.00 0.00 C ATOM 1327 C ALA A 86 -4.496 -9.399 -8.663 1.00 0.00 C ATOM 1328 O ALA A 86 -4.748 -8.897 -9.756 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.575 -9.326 -7.199 1.00 0.00 C ATOM 0 H ALA A 86 -4.523 -10.606 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.101 -10.801 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.064 -8.673 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.322 -9.951 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.064 -8.720 -6.451 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.332 -9.294 -8.038 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.233 -8.549 -8.628 1.00 0.00 C ATOM 1337 C ALA A 87 -1.061 -8.516 -7.645 1.00 0.00 C ATOM 1338 O ALA A 87 -1.216 -8.867 -6.476 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.712 -7.148 -9.011 1.00 0.00 C ATOM 0 H ALA A 87 -3.127 -9.712 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.886 -9.035 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.887 -6.590 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.525 -7.226 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.065 -6.628 -8.120 1.00 0.00 H new ATOM 1345 N PHE A 88 0.086 -8.090 -8.154 1.00 0.00 N ATOM 1346 CA PHE A 88 1.284 -8.007 -7.336 1.00 0.00 C ATOM 1347 C PHE A 88 2.260 -6.970 -7.896 1.00 0.00 C ATOM 1348 O PHE A 88 3.019 -7.262 -8.820 1.00 0.00 O ATOM 1349 CB PHE A 88 1.947 -9.385 -7.371 1.00 0.00 C ATOM 1350 CG PHE A 88 2.242 -9.968 -5.988 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.240 -10.522 -5.254 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.508 -9.934 -5.491 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.514 -11.064 -3.971 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.783 -10.475 -4.208 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.780 -11.029 -3.475 1.00 0.00 C ATOM 0 H PHE A 88 0.211 -7.798 -9.123 1.00 0.00 H new ATOM 0 HA PHE A 88 1.021 -7.708 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.301 -10.074 -7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.880 -9.314 -7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.235 -10.550 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.305 -9.495 -6.073 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.718 -11.504 -3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.788 -10.447 -3.814 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.989 -11.441 -2.499 1.00 0.00 H new ATOM 1365 N ASN A 89 2.208 -5.780 -7.316 1.00 0.00 N ATOM 1366 CA ASN A 89 3.077 -4.699 -7.746 1.00 0.00 C ATOM 1367 C ASN A 89 3.352 -3.769 -6.562 1.00 0.00 C ATOM 1368 O ASN A 89 2.833 -3.983 -5.467 1.00 0.00 O ATOM 1369 CB ASN A 89 2.423 -3.873 -8.854 1.00 0.00 C ATOM 1370 CG ASN A 89 2.569 -4.562 -10.212 1.00 0.00 C ATOM 1371 OD1 ASN A 89 3.657 -4.731 -10.737 1.00 0.00 O ATOM 1372 ND2 ASN A 89 1.416 -4.949 -10.750 1.00 0.00 N ATOM 0 H ASN A 89 1.577 -5.541 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 89 4.000 -5.139 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.367 -3.727 -8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.880 -2.884 -8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.408 -5.418 -11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.540 -4.777 -10.257 1.00 0.00 H new ATOM 1379 N LYS A 90 4.167 -2.757 -6.821 1.00 0.00 N ATOM 1380 CA LYS A 90 4.517 -1.795 -5.791 1.00 0.00 C ATOM 1381 C LYS A 90 3.366 -0.802 -5.616 1.00 0.00 C ATOM 1382 O LYS A 90 2.463 -0.696 -6.443 1.00 0.00 O ATOM 1383 CB LYS A 90 5.858 -1.131 -6.111 1.00 0.00 C ATOM 1384 CG LYS A 90 6.287 -0.192 -4.982 1.00 0.00 C ATOM 1385 CD LYS A 90 7.655 0.428 -5.275 1.00 0.00 C ATOM 1386 CE LYS A 90 7.510 1.724 -6.075 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.596 1.448 -7.527 1.00 0.00 N ATOM 0 H LYS A 90 4.595 -2.583 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 90 4.656 -2.296 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.620 -1.896 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.778 -0.572 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.545 0.597 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.327 -0.742 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.174 0.631 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.268 -0.281 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.555 2.196 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.291 2.427 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.307 2.073 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.870 0.456 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.671 1.621 -7.969 1.00 0.00 H new ATOM 1401 N ILE A 91 3.420 -0.066 -4.503 1.00 0.00 N ATOM 1402 CA ILE A 91 2.408 0.921 -4.187 1.00 0.00 C ATOM 1403 C ILE A 91 3.044 2.301 -4.103 1.00 0.00 C ATOM 1404 O ILE A 91 2.407 3.301 -4.427 1.00 0.00 O ATOM 1405 CB ILE A 91 1.733 0.554 -2.868 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.687 1.610 -2.519 1.00 0.00 C ATOM 1407 CG2 ILE A 91 2.781 0.493 -1.761 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.680 0.945 -2.385 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.203 2.430 -3.708 1.00 0.00 O ATOM 0 H ILE A 91 4.162 -0.143 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 91 1.652 0.938 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 91 1.249 -0.418 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.954 2.108 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.656 2.377 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.300 0.231 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.528 -0.261 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.264 1.465 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.428 1.698 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.946 0.467 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.644 0.194 -1.595 1.00 0.00 H new TER 1421 ILE A 91