USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot -120:sc= -0.133 USER MOD Single : A 9 LYS NZ :NH3+ 163:sc=-0.00457 (180deg=-0.112) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.6) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.076 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 70:sc= 0.828 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -56:sc= 1.26 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.124) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -42:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 1.696 -5.896 -0.618 1.00 0.00 N ATOM 30 CA ASP A 3 1.117 -6.981 0.166 1.00 0.00 C ATOM 31 C ASP A 3 1.747 -7.046 1.554 1.00 0.00 C ATOM 32 O ASP A 3 1.050 -7.195 2.558 1.00 0.00 O ATOM 33 CB ASP A 3 1.306 -8.317 -0.556 1.00 0.00 C ATOM 34 CG ASP A 3 0.464 -8.420 -1.812 1.00 0.00 C ATOM 35 OD1 ASP A 3 -0.048 -7.377 -2.271 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.316 -9.544 -2.337 1.00 0.00 O ATOM 0 HA ASP A 3 0.051 -6.785 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.357 -8.441 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.046 -9.132 0.120 1.00 0.00 H new ATOM 41 N THR A 4 3.071 -6.932 1.604 1.00 0.00 N ATOM 42 CA THR A 4 3.795 -6.980 2.867 1.00 0.00 C ATOM 43 C THR A 4 3.486 -5.757 3.724 1.00 0.00 C ATOM 44 O THR A 4 3.093 -5.883 4.883 1.00 0.00 O ATOM 45 CB THR A 4 5.316 -7.063 2.641 1.00 0.00 C ATOM 46 OG1 THR A 4 5.602 -7.957 1.559 1.00 0.00 O ATOM 47 CG2 THR A 4 6.026 -7.538 3.899 1.00 0.00 C ATOM 0 H THR A 4 3.663 -6.806 0.783 1.00 0.00 H new ATOM 0 HA THR A 4 3.464 -7.879 3.387 1.00 0.00 H new ATOM 0 HB THR A 4 5.679 -6.065 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.164 -8.692 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.099 -7.588 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.830 -6.840 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.658 -8.527 4.173 1.00 0.00 H new ATOM 55 N ALA A 5 3.666 -4.574 3.145 1.00 0.00 N ATOM 56 CA ALA A 5 3.404 -3.329 3.855 1.00 0.00 C ATOM 57 C ALA A 5 2.011 -3.333 4.476 1.00 0.00 C ATOM 58 O ALA A 5 1.854 -3.089 5.672 1.00 0.00 O ATOM 59 CB ALA A 5 3.562 -2.142 2.916 1.00 0.00 C ATOM 0 H ALA A 5 3.992 -4.452 2.186 1.00 0.00 H new ATOM 0 HA ALA A 5 4.132 -3.240 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.363 -1.219 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.579 -2.121 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.857 -2.235 2.090 1.00 0.00 H new ATOM 65 N GLU A 6 1.003 -3.611 3.655 1.00 0.00 N ATOM 66 CA GLU A 6 -0.377 -3.645 4.124 1.00 0.00 C ATOM 67 C GLU A 6 -0.513 -4.545 5.350 1.00 0.00 C ATOM 68 O GLU A 6 -1.090 -4.149 6.362 1.00 0.00 O ATOM 69 CB GLU A 6 -1.305 -4.137 3.012 1.00 0.00 C ATOM 70 CG GLU A 6 -1.568 -3.097 1.935 1.00 0.00 C ATOM 71 CD GLU A 6 -2.705 -2.160 2.294 1.00 0.00 C ATOM 72 OE1 GLU A 6 -3.780 -2.655 2.690 1.00 0.00 O ATOM 73 OE2 GLU A 6 -2.518 -0.931 2.179 1.00 0.00 O ATOM 0 H GLU A 6 1.116 -3.816 2.662 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.663 -2.631 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.868 -5.023 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.255 -4.442 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.662 -2.515 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.800 -3.601 0.997 1.00 0.00 H new ATOM 80 N ARG A 7 0.024 -5.757 5.249 1.00 0.00 N ATOM 81 CA ARG A 7 -0.039 -6.713 6.347 1.00 0.00 C ATOM 82 C ARG A 7 0.562 -6.121 7.619 1.00 0.00 C ATOM 83 O ARG A 7 -0.024 -6.217 8.698 1.00 0.00 O ATOM 84 CB ARG A 7 0.699 -8.000 5.973 1.00 0.00 C ATOM 85 CG ARG A 7 -0.057 -8.870 4.983 1.00 0.00 C ATOM 86 CD ARG A 7 -1.066 -9.766 5.686 1.00 0.00 C ATOM 87 NE ARG A 7 -1.814 -10.592 4.743 1.00 0.00 N ATOM 88 CZ ARG A 7 -1.286 -11.618 4.084 1.00 0.00 C ATOM 89 NH1 ARG A 7 -0.013 -11.941 4.265 1.00 0.00 N ATOM 90 NH2 ARG A 7 -2.032 -12.322 3.242 1.00 0.00 N ATOM 0 H ARG A 7 0.507 -6.099 4.418 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.088 -6.944 6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.670 -7.742 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.889 -8.576 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.572 -8.237 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.649 -9.484 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.547 -10.408 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.760 -9.151 6.259 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.796 -10.369 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.563 -11.402 4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.390 -12.729 3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.012 -12.076 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.626 -13.109 2.737 1.00 0.00 H new ATOM 104 N VAL A 8 1.734 -5.508 7.484 1.00 0.00 N ATOM 105 CA VAL A 8 2.413 -4.900 8.622 1.00 0.00 C ATOM 106 C VAL A 8 1.566 -3.794 9.240 1.00 0.00 C ATOM 107 O VAL A 8 1.134 -3.896 10.389 1.00 0.00 O ATOM 108 CB VAL A 8 3.780 -4.318 8.213 1.00 0.00 C ATOM 109 CG1 VAL A 8 4.457 -3.658 9.405 1.00 0.00 C ATOM 110 CG2 VAL A 8 4.665 -5.403 7.620 1.00 0.00 C ATOM 0 H VAL A 8 2.232 -5.419 6.599 1.00 0.00 H new ATOM 0 HA VAL A 8 2.567 -5.689 9.358 1.00 0.00 H new ATOM 0 HB VAL A 8 3.618 -3.557 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.421 -3.253 9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.827 -2.851 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.608 -4.396 10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.626 -4.974 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.822 -6.189 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.182 -5.825 6.739 1.00 0.00 H new ATOM 120 N LYS A 9 1.332 -2.735 8.472 1.00 0.00 N ATOM 121 CA LYS A 9 0.535 -1.609 8.942 1.00 0.00 C ATOM 122 C LYS A 9 -0.813 -2.082 9.478 1.00 0.00 C ATOM 123 O LYS A 9 -1.391 -1.461 10.370 1.00 0.00 O ATOM 124 CB LYS A 9 0.321 -0.601 7.811 1.00 0.00 C ATOM 125 CG LYS A 9 -0.572 -1.118 6.697 1.00 0.00 C ATOM 126 CD LYS A 9 -0.954 -0.011 5.729 1.00 0.00 C ATOM 127 CE LYS A 9 -2.304 -0.279 5.080 1.00 0.00 C ATOM 128 NZ LYS A 9 -3.429 -0.070 6.034 1.00 0.00 N ATOM 0 H LYS A 9 1.684 -2.634 7.520 1.00 0.00 H new ATOM 0 HA LYS A 9 1.079 -1.125 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.116 0.308 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.289 -0.327 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.058 -1.913 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.474 -1.555 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.986 0.941 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.190 0.079 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.430 0.378 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.330 -1.302 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.320 0.023 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.493 -0.883 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.261 0.796 6.584 1.00 0.00 H new ATOM 142 N LYS A 10 -1.308 -3.186 8.928 1.00 0.00 N ATOM 143 CA LYS A 10 -2.586 -3.744 9.352 1.00 0.00 C ATOM 144 C LYS A 10 -2.505 -4.266 10.783 1.00 0.00 C ATOM 145 O LYS A 10 -3.260 -3.834 11.655 1.00 0.00 O ATOM 146 CB LYS A 10 -3.010 -4.874 8.410 1.00 0.00 C ATOM 147 CG LYS A 10 -4.307 -5.551 8.817 1.00 0.00 C ATOM 148 CD LYS A 10 -4.806 -6.495 7.736 1.00 0.00 C ATOM 149 CE LYS A 10 -5.596 -5.753 6.669 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.894 -6.621 5.496 1.00 0.00 N ATOM 0 H LYS A 10 -0.843 -3.712 8.188 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.331 -2.949 9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.120 -4.474 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.217 -5.621 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.154 -6.105 9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.065 -4.795 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.959 -7.003 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.433 -7.265 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.529 -5.387 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.032 -4.880 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.433 -6.079 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.003 -6.950 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.454 -7.441 5.804 1.00 0.00 H new ATOM 164 N ILE A 11 -1.584 -5.194 11.019 1.00 0.00 N ATOM 165 CA ILE A 11 -1.403 -5.771 12.345 1.00 0.00 C ATOM 166 C ILE A 11 -1.010 -4.703 13.360 1.00 0.00 C ATOM 167 O ILE A 11 -1.316 -4.817 14.547 1.00 0.00 O ATOM 168 CB ILE A 11 -0.329 -6.875 12.336 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.682 -7.952 11.309 1.00 0.00 C ATOM 170 CG2 ILE A 11 -0.186 -7.485 13.723 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.455 -8.907 11.019 1.00 0.00 C ATOM 0 H ILE A 11 -0.951 -5.562 10.309 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.359 -6.208 12.633 1.00 0.00 H new ATOM 0 HB ILE A 11 0.626 -6.431 12.055 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.539 -8.520 11.670 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.987 -7.470 10.380 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.576 -8.264 13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.106 -6.711 14.433 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.138 -7.918 14.030 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.133 -9.643 10.282 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.307 -8.351 10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.746 -9.416 11.938 1.00 0.00 H new ATOM 183 N VAL A 12 -0.331 -3.664 12.885 1.00 0.00 N ATOM 184 CA VAL A 12 0.102 -2.573 13.750 1.00 0.00 C ATOM 185 C VAL A 12 -1.083 -1.727 14.202 1.00 0.00 C ATOM 186 O VAL A 12 -1.222 -1.416 15.385 1.00 0.00 O ATOM 187 CB VAL A 12 1.125 -1.666 13.041 1.00 0.00 C ATOM 188 CG1 VAL A 12 1.534 -0.513 13.945 1.00 0.00 C ATOM 189 CG2 VAL A 12 2.340 -2.471 12.607 1.00 0.00 C ATOM 0 H VAL A 12 -0.069 -3.555 11.905 1.00 0.00 H new ATOM 0 HA VAL A 12 0.574 -3.028 14.621 1.00 0.00 H new ATOM 0 HB VAL A 12 0.657 -1.248 12.149 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.257 0.117 13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.655 0.079 14.200 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.983 -0.907 14.856 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.052 -1.814 12.108 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.811 -2.919 13.482 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.029 -3.258 11.920 1.00 0.00 H new ATOM 199 N VAL A 13 -1.937 -1.358 13.252 1.00 0.00 N ATOM 200 CA VAL A 13 -3.112 -0.549 13.553 1.00 0.00 C ATOM 201 C VAL A 13 -4.145 -1.351 14.336 1.00 0.00 C ATOM 202 O VAL A 13 -4.909 -0.794 15.124 1.00 0.00 O ATOM 203 CB VAL A 13 -3.765 -0.009 12.267 1.00 0.00 C ATOM 204 CG1 VAL A 13 -5.013 0.795 12.598 1.00 0.00 C ATOM 205 CG2 VAL A 13 -2.773 0.833 11.479 1.00 0.00 C ATOM 0 H VAL A 13 -1.837 -1.607 12.268 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.772 0.290 14.160 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.061 -0.856 11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.460 1.168 11.677 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.729 0.158 13.117 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.745 1.636 13.238 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.251 1.206 10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.444 1.674 12.089 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.911 0.222 11.209 1.00 0.00 H new ATOM 215 N GLU A 14 -4.162 -2.661 14.114 1.00 0.00 N ATOM 216 CA GLU A 14 -5.102 -3.540 14.800 1.00 0.00 C ATOM 217 C GLU A 14 -4.603 -3.884 16.201 1.00 0.00 C ATOM 218 O GLU A 14 -5.391 -4.200 17.093 1.00 0.00 O ATOM 219 CB GLU A 14 -5.317 -4.822 13.994 1.00 0.00 C ATOM 220 CG GLU A 14 -6.657 -5.490 14.258 1.00 0.00 C ATOM 221 CD GLU A 14 -6.826 -6.783 13.485 1.00 0.00 C ATOM 222 OE1 GLU A 14 -6.309 -6.868 12.352 1.00 0.00 O ATOM 223 OE2 GLU A 14 -7.476 -7.710 14.014 1.00 0.00 O ATOM 0 H GLU A 14 -3.536 -3.137 13.465 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.052 -3.013 14.891 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.239 -4.591 12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.518 -5.526 14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.754 -5.693 15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.460 -4.803 13.990 1.00 0.00 H new ATOM 230 N HIS A 15 -3.288 -3.821 16.386 1.00 0.00 N ATOM 231 CA HIS A 15 -2.682 -4.126 17.677 1.00 0.00 C ATOM 232 C HIS A 15 -2.585 -2.873 18.541 1.00 0.00 C ATOM 233 O HIS A 15 -3.070 -2.848 19.674 1.00 0.00 O ATOM 234 CB HIS A 15 -1.293 -4.734 17.482 1.00 0.00 C ATOM 235 CG HIS A 15 -1.321 -6.184 17.107 1.00 0.00 C ATOM 236 ND1 HIS A 15 -2.442 -6.810 16.606 1.00 0.00 N ATOM 237 CD2 HIS A 15 -0.355 -7.130 17.160 1.00 0.00 C ATOM 238 CE1 HIS A 15 -2.166 -8.080 16.369 1.00 0.00 C ATOM 239 NE2 HIS A 15 -0.905 -8.300 16.696 1.00 0.00 N ATOM 0 H HIS A 15 -2.622 -3.562 15.658 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.318 -4.849 18.187 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.767 -4.177 16.707 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.721 -4.616 18.403 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.660 -6.991 17.503 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.854 -8.813 15.975 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.419 -9.193 16.617 1.00 0.00 H new ATOM 247 N LEU A 16 -1.956 -1.835 18.001 1.00 0.00 N ATOM 248 CA LEU A 16 -1.795 -0.578 18.723 1.00 0.00 C ATOM 249 C LEU A 16 -3.110 0.194 18.773 1.00 0.00 C ATOM 250 O LEU A 16 -3.336 0.998 19.676 1.00 0.00 O ATOM 251 CB LEU A 16 -0.713 0.278 18.062 1.00 0.00 C ATOM 252 CG LEU A 16 0.732 -0.073 18.420 1.00 0.00 C ATOM 253 CD1 LEU A 16 0.957 0.059 19.918 1.00 0.00 C ATOM 254 CD2 LEU A 16 1.072 -1.479 17.949 1.00 0.00 C ATOM 0 H LEU A 16 -1.549 -1.839 17.066 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.492 -0.811 19.744 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.827 0.201 16.981 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.889 1.320 18.328 1.00 0.00 H new ATOM 0 HG LEU A 16 1.393 0.628 17.911 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.990 -0.195 20.154 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.755 1.085 20.227 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.287 -0.618 20.448 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.104 -1.711 18.212 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.405 -2.195 18.429 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.951 -1.540 16.867 1.00 0.00 H new ATOM 266 N GLY A 17 -3.975 -0.057 17.795 1.00 0.00 N ATOM 267 CA GLY A 17 -5.257 0.620 17.747 1.00 0.00 C ATOM 268 C GLY A 17 -5.121 2.099 17.443 1.00 0.00 C ATOM 269 O GLY A 17 -5.887 2.918 17.950 1.00 0.00 O ATOM 0 H GLY A 17 -3.810 -0.717 17.035 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.883 0.152 16.987 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.767 0.494 18.702 1.00 0.00 H new ATOM 273 N VAL A 18 -4.141 2.443 16.612 1.00 0.00 N ATOM 274 CA VAL A 18 -3.906 3.833 16.241 1.00 0.00 C ATOM 275 C VAL A 18 -4.348 4.101 14.807 1.00 0.00 C ATOM 276 O VAL A 18 -4.937 3.238 14.156 1.00 0.00 O ATOM 277 CB VAL A 18 -2.420 4.209 16.388 1.00 0.00 C ATOM 278 CG1 VAL A 18 -1.935 3.930 17.802 1.00 0.00 C ATOM 279 CG2 VAL A 18 -1.577 3.457 15.368 1.00 0.00 C ATOM 0 H VAL A 18 -3.498 1.778 16.183 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.497 4.447 16.921 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.313 5.277 16.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.883 4.202 17.886 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.520 4.518 18.510 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.055 2.870 18.025 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.530 3.735 15.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.688 2.384 15.525 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.909 3.713 14.362 1.00 0.00 H new ATOM 289 N ASP A 19 -4.061 5.304 14.321 1.00 0.00 N ATOM 290 CA ASP A 19 -4.427 5.686 12.962 1.00 0.00 C ATOM 291 C ASP A 19 -3.422 5.138 11.953 1.00 0.00 C ATOM 292 O ASP A 19 -2.220 5.104 12.216 1.00 0.00 O ATOM 293 CB ASP A 19 -4.509 7.209 12.843 1.00 0.00 C ATOM 294 CG ASP A 19 -5.538 7.655 11.823 1.00 0.00 C ATOM 295 OD1 ASP A 19 -6.694 7.189 11.903 1.00 0.00 O ATOM 296 OD2 ASP A 19 -5.188 8.471 10.945 1.00 0.00 O ATOM 0 H ASP A 19 -3.576 6.031 14.848 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.405 5.258 12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.758 7.634 13.816 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.531 7.602 12.564 1.00 0.00 H new ATOM 301 N ALA A 20 -3.924 4.709 10.800 1.00 0.00 N ATOM 302 CA ALA A 20 -3.071 4.163 9.752 1.00 0.00 C ATOM 303 C ALA A 20 -2.325 5.272 9.017 1.00 0.00 C ATOM 304 O ALA A 20 -1.204 5.075 8.549 1.00 0.00 O ATOM 305 CB ALA A 20 -3.897 3.341 8.773 1.00 0.00 C ATOM 0 H ALA A 20 -4.917 4.729 10.568 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.332 3.514 10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.247 2.940 7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.379 2.519 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.658 3.975 8.318 1.00 0.00 H new ATOM 311 N ASP A 21 -2.956 6.437 8.919 1.00 0.00 N ATOM 312 CA ASP A 21 -2.352 7.579 8.242 1.00 0.00 C ATOM 313 C ASP A 21 -0.986 7.904 8.838 1.00 0.00 C ATOM 314 O ASP A 21 -0.119 8.460 8.163 1.00 0.00 O ATOM 315 CB ASP A 21 -3.268 8.799 8.338 1.00 0.00 C ATOM 316 CG ASP A 21 -4.561 8.615 7.568 1.00 0.00 C ATOM 317 OD1 ASP A 21 -4.525 7.984 6.492 1.00 0.00 O ATOM 318 OD2 ASP A 21 -5.609 9.103 8.042 1.00 0.00 O ATOM 0 H ASP A 21 -3.885 6.616 9.300 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.217 7.318 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.497 8.996 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.743 9.675 7.957 1.00 0.00 H new ATOM 323 N LYS A 22 -0.801 7.555 10.106 1.00 0.00 N ATOM 324 CA LYS A 22 0.459 7.809 10.795 1.00 0.00 C ATOM 325 C LYS A 22 1.476 6.714 10.489 1.00 0.00 C ATOM 326 O LYS A 22 2.684 6.942 10.550 1.00 0.00 O ATOM 327 CB LYS A 22 0.229 7.901 12.305 1.00 0.00 C ATOM 328 CG LYS A 22 -0.768 8.974 12.705 1.00 0.00 C ATOM 329 CD LYS A 22 -0.756 9.216 14.205 1.00 0.00 C ATOM 330 CE LYS A 22 -1.580 8.173 14.944 1.00 0.00 C ATOM 331 NZ LYS A 22 -1.849 8.575 16.353 1.00 0.00 N ATOM 0 H LYS A 22 -1.509 7.095 10.679 1.00 0.00 H new ATOM 0 HA LYS A 22 0.856 8.759 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.123 6.936 12.670 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.181 8.100 12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.533 9.902 12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.769 8.677 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.271 9.195 14.570 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.150 10.210 14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.525 8.021 14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.053 7.219 14.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.413 7.838 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.948 8.696 16.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.374 9.472 16.364 1.00 0.00 H new ATOM 345 N VAL A 23 0.979 5.526 10.160 1.00 0.00 N ATOM 346 CA VAL A 23 1.845 4.397 9.843 1.00 0.00 C ATOM 347 C VAL A 23 2.524 4.588 8.492 1.00 0.00 C ATOM 348 O VAL A 23 2.088 4.036 7.481 1.00 0.00 O ATOM 349 CB VAL A 23 1.057 3.073 9.827 1.00 0.00 C ATOM 350 CG1 VAL A 23 1.994 1.897 9.599 1.00 0.00 C ATOM 351 CG2 VAL A 23 0.277 2.902 11.122 1.00 0.00 C ATOM 0 H VAL A 23 -0.019 5.321 10.106 1.00 0.00 H new ATOM 0 HA VAL A 23 2.604 4.350 10.624 1.00 0.00 H new ATOM 0 HB VAL A 23 0.345 3.104 9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.420 0.971 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.503 2.017 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.732 1.859 10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.274 1.962 11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.968 2.892 11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.423 3.729 11.237 1.00 0.00 H new ATOM 361 N THR A 24 3.597 5.373 8.481 1.00 0.00 N ATOM 362 CA THR A 24 4.337 5.638 7.254 1.00 0.00 C ATOM 363 C THR A 24 5.777 5.149 7.364 1.00 0.00 C ATOM 364 O THR A 24 6.254 4.837 8.455 1.00 0.00 O ATOM 365 CB THR A 24 4.342 7.140 6.913 1.00 0.00 C ATOM 366 OG1 THR A 24 5.016 7.874 7.942 1.00 0.00 O ATOM 367 CG2 THR A 24 2.922 7.664 6.757 1.00 0.00 C ATOM 0 H THR A 24 3.973 5.836 9.308 1.00 0.00 H new ATOM 0 HA THR A 24 3.831 5.094 6.457 1.00 0.00 H new ATOM 0 HB THR A 24 4.868 7.274 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.016 8.828 7.717 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.951 8.727 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.421 7.124 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.376 7.518 7.689 1.00 0.00 H new ATOM 375 N GLU A 25 6.465 5.087 6.228 1.00 0.00 N ATOM 376 CA GLU A 25 7.851 4.636 6.199 1.00 0.00 C ATOM 377 C GLU A 25 8.701 5.425 7.192 1.00 0.00 C ATOM 378 O GLU A 25 9.690 4.918 7.719 1.00 0.00 O ATOM 379 CB GLU A 25 8.429 4.781 4.790 1.00 0.00 C ATOM 380 CG GLU A 25 8.136 3.593 3.888 1.00 0.00 C ATOM 381 CD GLU A 25 6.701 3.572 3.398 1.00 0.00 C ATOM 382 OE1 GLU A 25 6.382 4.340 2.466 1.00 0.00 O ATOM 383 OE2 GLU A 25 5.898 2.789 3.946 1.00 0.00 O ATOM 0 H GLU A 25 6.085 5.343 5.317 1.00 0.00 H new ATOM 0 HA GLU A 25 7.869 3.584 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.025 5.683 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.508 4.915 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.808 3.618 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.345 2.670 4.430 1.00 0.00 H new ATOM 390 N GLY A 26 8.307 6.670 7.441 1.00 0.00 N ATOM 391 CA GLY A 26 9.042 7.510 8.368 1.00 0.00 C ATOM 392 C GLY A 26 8.398 7.562 9.739 1.00 0.00 C ATOM 393 O GLY A 26 8.515 8.560 10.449 1.00 0.00 O ATOM 0 H GLY A 26 7.491 7.112 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.061 7.136 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.110 8.520 7.963 1.00 0.00 H new ATOM 397 N ALA A 27 7.714 6.485 10.112 1.00 0.00 N ATOM 398 CA ALA A 27 7.049 6.412 11.407 1.00 0.00 C ATOM 399 C ALA A 27 7.832 5.535 12.377 1.00 0.00 C ATOM 400 O ALA A 27 7.887 4.315 12.221 1.00 0.00 O ATOM 401 CB ALA A 27 5.631 5.886 11.243 1.00 0.00 C ATOM 0 H ALA A 27 7.606 5.651 9.535 1.00 0.00 H new ATOM 0 HA ALA A 27 7.005 7.419 11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.146 5.837 12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.068 6.554 10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.661 4.890 10.802 1.00 0.00 H new ATOM 407 N SER A 28 8.437 6.164 13.380 1.00 0.00 N ATOM 408 CA SER A 28 9.221 5.440 14.374 1.00 0.00 C ATOM 409 C SER A 28 8.352 5.033 15.560 1.00 0.00 C ATOM 410 O SER A 28 7.823 5.882 16.278 1.00 0.00 O ATOM 411 CB SER A 28 10.391 6.300 14.856 1.00 0.00 C ATOM 412 OG SER A 28 10.958 5.771 16.042 1.00 0.00 O ATOM 0 H SER A 28 8.399 7.173 13.526 1.00 0.00 H new ATOM 0 HA SER A 28 9.612 4.537 13.905 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.152 6.353 14.078 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.048 7.319 15.036 1.00 0.00 H new ATOM 0 HG SER A 28 11.704 6.338 16.329 1.00 0.00 H new ATOM 418 N PHE A 29 8.209 3.727 15.760 1.00 0.00 N ATOM 419 CA PHE A 29 7.403 3.205 16.857 1.00 0.00 C ATOM 420 C PHE A 29 7.985 3.622 18.205 1.00 0.00 C ATOM 421 O PHE A 29 7.332 3.493 19.241 1.00 0.00 O ATOM 422 CB PHE A 29 7.319 1.679 16.776 1.00 0.00 C ATOM 423 CG PHE A 29 7.014 1.168 15.397 1.00 0.00 C ATOM 424 CD1 PHE A 29 5.713 1.152 14.922 1.00 0.00 C ATOM 425 CD2 PHE A 29 8.029 0.703 14.576 1.00 0.00 C ATOM 426 CE1 PHE A 29 5.428 0.683 13.654 1.00 0.00 C ATOM 427 CE2 PHE A 29 7.751 0.233 13.307 1.00 0.00 C ATOM 428 CZ PHE A 29 6.449 0.222 12.845 1.00 0.00 C ATOM 0 H PHE A 29 8.641 3.011 15.176 1.00 0.00 H new ATOM 0 HA PHE A 29 6.400 3.622 16.768 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.264 1.253 17.112 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.549 1.328 17.463 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.911 1.511 15.551 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.049 0.708 14.932 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.409 0.677 13.296 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.551 -0.126 12.676 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.230 -0.146 11.854 1.00 0.00 H new ATOM 438 N ILE A 30 9.215 4.123 18.182 1.00 0.00 N ATOM 439 CA ILE A 30 9.885 4.560 19.401 1.00 0.00 C ATOM 440 C ILE A 30 9.492 5.989 19.762 1.00 0.00 C ATOM 441 O ILE A 30 9.050 6.258 20.878 1.00 0.00 O ATOM 442 CB ILE A 30 11.416 4.480 19.262 1.00 0.00 C ATOM 443 CG1 ILE A 30 11.852 3.037 18.997 1.00 0.00 C ATOM 444 CG2 ILE A 30 12.091 5.021 20.513 1.00 0.00 C ATOM 445 CD1 ILE A 30 11.419 2.068 20.074 1.00 0.00 C ATOM 0 H ILE A 30 9.768 4.237 17.333 1.00 0.00 H new ATOM 0 HA ILE A 30 9.565 3.886 20.196 1.00 0.00 H new ATOM 0 HB ILE A 30 11.721 5.093 18.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.442 2.712 18.041 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.938 3.005 18.906 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.173 4.957 20.399 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.802 6.062 20.661 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.782 4.432 21.377 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.762 1.065 19.820 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.851 2.369 21.029 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.332 2.071 20.150 1.00 0.00 H new ATOM 457 N ASP A 31 9.655 6.899 18.809 1.00 0.00 N ATOM 458 CA ASP A 31 9.315 8.301 19.024 1.00 0.00 C ATOM 459 C ASP A 31 7.904 8.600 18.530 1.00 0.00 C ATOM 460 O ASP A 31 7.037 9.007 19.304 1.00 0.00 O ATOM 461 CB ASP A 31 10.321 9.207 18.312 1.00 0.00 C ATOM 462 CG ASP A 31 10.238 10.646 18.783 1.00 0.00 C ATOM 463 OD1 ASP A 31 10.493 10.895 19.980 1.00 0.00 O ATOM 464 OD2 ASP A 31 9.919 11.523 17.954 1.00 0.00 O ATOM 0 H ASP A 31 10.021 6.692 17.880 1.00 0.00 H new ATOM 0 HA ASP A 31 9.355 8.499 20.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.329 8.830 18.482 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.143 9.169 17.237 1.00 0.00 H new ATOM 469 N ASP A 32 7.680 8.396 17.236 1.00 0.00 N ATOM 470 CA ASP A 32 6.373 8.644 16.638 1.00 0.00 C ATOM 471 C ASP A 32 5.256 8.118 17.535 1.00 0.00 C ATOM 472 O ASP A 32 4.233 8.778 17.722 1.00 0.00 O ATOM 473 CB ASP A 32 6.287 7.988 15.259 1.00 0.00 C ATOM 474 CG ASP A 32 5.276 8.668 14.357 1.00 0.00 C ATOM 475 OD1 ASP A 32 5.376 9.900 14.175 1.00 0.00 O ATOM 476 OD2 ASP A 32 4.385 7.969 13.832 1.00 0.00 O ATOM 0 H ASP A 32 8.386 8.060 16.581 1.00 0.00 H new ATOM 0 HA ASP A 32 6.250 9.721 16.528 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.268 8.015 14.785 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.018 6.938 15.375 1.00 0.00 H new ATOM 481 N LEU A 33 5.459 6.927 18.087 1.00 0.00 N ATOM 482 CA LEU A 33 4.469 6.311 18.964 1.00 0.00 C ATOM 483 C LEU A 33 4.850 6.496 20.429 1.00 0.00 C ATOM 484 O LEU A 33 4.022 6.322 21.323 1.00 0.00 O ATOM 485 CB LEU A 33 4.332 4.821 18.644 1.00 0.00 C ATOM 486 CG LEU A 33 3.908 4.478 17.216 1.00 0.00 C ATOM 487 CD1 LEU A 33 3.499 3.016 17.118 1.00 0.00 C ATOM 488 CD2 LEU A 33 2.772 5.383 16.764 1.00 0.00 C ATOM 0 H LEU A 33 6.300 6.368 17.943 1.00 0.00 H new ATOM 0 HA LEU A 33 3.511 6.802 18.792 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.288 4.337 18.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.606 4.387 19.331 1.00 0.00 H new ATOM 0 HG LEU A 33 4.760 4.641 16.556 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.200 2.790 16.094 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.341 2.383 17.399 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.662 2.826 17.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.484 5.124 15.745 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.917 5.253 17.427 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.100 6.422 16.795 1.00 0.00 H new ATOM 500 N GLY A 34 6.109 6.850 20.668 1.00 0.00 N ATOM 501 CA GLY A 34 6.577 7.055 22.026 1.00 0.00 C ATOM 502 C GLY A 34 6.736 5.753 22.787 1.00 0.00 C ATOM 503 O GLY A 34 6.506 5.700 23.995 1.00 0.00 O ATOM 0 H GLY A 34 6.813 6.998 19.945 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.533 7.578 22.003 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.875 7.699 22.556 1.00 0.00 H new ATOM 507 N ALA A 35 7.129 4.700 22.078 1.00 0.00 N ATOM 508 CA ALA A 35 7.318 3.392 22.694 1.00 0.00 C ATOM 509 C ALA A 35 8.795 3.120 22.960 1.00 0.00 C ATOM 510 O ALA A 35 9.665 3.859 22.499 1.00 0.00 O ATOM 511 CB ALA A 35 6.729 2.303 21.811 1.00 0.00 C ATOM 0 H ALA A 35 7.323 4.727 21.077 1.00 0.00 H new ATOM 0 HA ALA A 35 6.797 3.389 23.651 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.877 1.332 22.283 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.662 2.482 21.676 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.225 2.314 20.840 1.00 0.00 H new ATOM 517 N ASP A 36 9.070 2.056 23.706 1.00 0.00 N ATOM 518 CA ASP A 36 10.442 1.685 24.033 1.00 0.00 C ATOM 519 C ASP A 36 10.885 0.471 23.223 1.00 0.00 C ATOM 520 O ASP A 36 10.121 -0.063 22.419 1.00 0.00 O ATOM 521 CB ASP A 36 10.571 1.390 25.528 1.00 0.00 C ATOM 522 CG ASP A 36 11.940 1.747 26.073 1.00 0.00 C ATOM 523 OD1 ASP A 36 12.296 2.944 26.045 1.00 0.00 O ATOM 524 OD2 ASP A 36 12.654 0.830 26.528 1.00 0.00 O ATOM 0 H ASP A 36 8.361 1.435 24.096 1.00 0.00 H new ATOM 0 HA ASP A 36 11.089 2.525 23.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.810 1.948 26.072 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.378 0.332 25.705 1.00 0.00 H new ATOM 529 N SER A 37 12.124 0.041 23.439 1.00 0.00 N ATOM 530 CA SER A 37 12.671 -1.107 22.725 1.00 0.00 C ATOM 531 C SER A 37 11.788 -2.336 22.916 1.00 0.00 C ATOM 532 O SER A 37 11.664 -3.172 22.020 1.00 0.00 O ATOM 533 CB SER A 37 14.091 -1.405 23.208 1.00 0.00 C ATOM 534 OG SER A 37 15.029 -0.531 22.604 1.00 0.00 O ATOM 0 H SER A 37 12.768 0.470 24.103 1.00 0.00 H new ATOM 0 HA SER A 37 12.700 -0.863 21.663 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.139 -1.302 24.292 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.349 -2.438 22.974 1.00 0.00 H new ATOM 0 HG SER A 37 15.929 -0.741 22.930 1.00 0.00 H new ATOM 540 N LEU A 38 11.176 -2.440 24.091 1.00 0.00 N ATOM 541 CA LEU A 38 10.303 -3.567 24.402 1.00 0.00 C ATOM 542 C LEU A 38 9.159 -3.663 23.397 1.00 0.00 C ATOM 543 O LEU A 38 8.949 -4.707 22.780 1.00 0.00 O ATOM 544 CB LEU A 38 9.743 -3.428 25.819 1.00 0.00 C ATOM 545 CG LEU A 38 10.749 -3.595 26.958 1.00 0.00 C ATOM 546 CD1 LEU A 38 10.222 -2.956 28.233 1.00 0.00 C ATOM 547 CD2 LEU A 38 11.057 -5.068 27.185 1.00 0.00 C ATOM 0 H LEU A 38 11.268 -1.758 24.844 1.00 0.00 H new ATOM 0 HA LEU A 38 10.894 -4.481 24.340 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.281 -2.445 25.911 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.951 -4.166 25.949 1.00 0.00 H new ATOM 0 HG LEU A 38 11.673 -3.090 26.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.951 -3.085 29.033 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.053 -1.893 28.064 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.284 -3.432 28.518 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.775 -5.168 27.999 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.139 -5.596 27.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.478 -5.496 26.275 1.00 0.00 H new ATOM 559 N ASP A 39 8.425 -2.568 23.238 1.00 0.00 N ATOM 560 CA ASP A 39 7.304 -2.527 22.306 1.00 0.00 C ATOM 561 C ASP A 39 7.732 -3.003 20.921 1.00 0.00 C ATOM 562 O ASP A 39 7.118 -3.901 20.344 1.00 0.00 O ATOM 563 CB ASP A 39 6.736 -1.110 22.219 1.00 0.00 C ATOM 564 CG ASP A 39 5.844 -0.917 21.009 1.00 0.00 C ATOM 565 OD1 ASP A 39 4.704 -1.427 21.024 1.00 0.00 O ATOM 566 OD2 ASP A 39 6.286 -0.255 20.046 1.00 0.00 O ATOM 0 H ASP A 39 8.586 -1.696 23.743 1.00 0.00 H new ATOM 0 HA ASP A 39 6.529 -3.198 22.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.168 -0.893 23.124 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.557 -0.394 22.179 1.00 0.00 H new ATOM 571 N THR A 40 8.788 -2.394 20.392 1.00 0.00 N ATOM 572 CA THR A 40 9.297 -2.753 19.074 1.00 0.00 C ATOM 573 C THR A 40 9.555 -4.252 18.974 1.00 0.00 C ATOM 574 O THR A 40 9.063 -4.917 18.062 1.00 0.00 O ATOM 575 CB THR A 40 10.599 -1.996 18.749 1.00 0.00 C ATOM 576 OG1 THR A 40 11.268 -1.629 19.960 1.00 0.00 O ATOM 577 CG2 THR A 40 10.309 -0.750 17.926 1.00 0.00 C ATOM 0 H THR A 40 9.308 -1.649 20.856 1.00 0.00 H new ATOM 0 HA THR A 40 8.531 -2.470 18.352 1.00 0.00 H new ATOM 0 HB THR A 40 11.241 -2.656 18.166 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.618 -2.433 20.397 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.243 -0.232 17.709 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.826 -1.036 16.991 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.649 -0.088 18.488 1.00 0.00 H new ATOM 585 N VAL A 41 10.329 -4.778 19.917 1.00 0.00 N ATOM 586 CA VAL A 41 10.652 -6.200 19.936 1.00 0.00 C ATOM 587 C VAL A 41 9.388 -7.051 19.868 1.00 0.00 C ATOM 588 O VAL A 41 9.325 -8.025 19.120 1.00 0.00 O ATOM 589 CB VAL A 41 11.445 -6.579 21.201 1.00 0.00 C ATOM 590 CG1 VAL A 41 11.745 -8.070 21.217 1.00 0.00 C ATOM 591 CG2 VAL A 41 12.729 -5.768 21.287 1.00 0.00 C ATOM 0 H VAL A 41 10.744 -4.241 20.678 1.00 0.00 H new ATOM 0 HA VAL A 41 11.267 -6.397 19.058 1.00 0.00 H new ATOM 0 HB VAL A 41 10.835 -6.346 22.074 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.306 -8.319 22.118 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.810 -8.629 21.206 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.335 -8.332 20.339 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.277 -6.048 22.187 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.345 -5.968 20.410 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.487 -4.706 21.326 1.00 0.00 H new ATOM 601 N GLU A 42 8.385 -6.675 20.655 1.00 0.00 N ATOM 602 CA GLU A 42 7.123 -7.404 20.684 1.00 0.00 C ATOM 603 C GLU A 42 6.479 -7.432 19.301 1.00 0.00 C ATOM 604 O GLU A 42 6.171 -8.500 18.768 1.00 0.00 O ATOM 605 CB GLU A 42 6.163 -6.768 21.692 1.00 0.00 C ATOM 606 CG GLU A 42 6.550 -7.016 23.140 1.00 0.00 C ATOM 607 CD GLU A 42 6.116 -8.382 23.635 1.00 0.00 C ATOM 608 OE1 GLU A 42 5.967 -9.296 22.796 1.00 0.00 O ATOM 609 OE2 GLU A 42 5.924 -8.538 24.859 1.00 0.00 O ATOM 0 H GLU A 42 8.422 -5.870 21.281 1.00 0.00 H new ATOM 0 HA GLU A 42 7.333 -8.429 20.990 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.122 -5.693 21.514 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.159 -7.157 21.521 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.631 -6.923 23.244 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.102 -6.247 23.769 1.00 0.00 H new ATOM 616 N LEU A 43 6.279 -6.253 18.724 1.00 0.00 N ATOM 617 CA LEU A 43 5.671 -6.141 17.402 1.00 0.00 C ATOM 618 C LEU A 43 6.424 -6.989 16.383 1.00 0.00 C ATOM 619 O LEU A 43 5.833 -7.822 15.695 1.00 0.00 O ATOM 620 CB LEU A 43 5.651 -4.679 16.951 1.00 0.00 C ATOM 621 CG LEU A 43 5.018 -3.684 17.924 1.00 0.00 C ATOM 622 CD1 LEU A 43 5.520 -2.275 17.650 1.00 0.00 C ATOM 623 CD2 LEU A 43 3.500 -3.739 17.831 1.00 0.00 C ATOM 0 H LEU A 43 6.529 -5.361 19.150 1.00 0.00 H new ATOM 0 HA LEU A 43 4.647 -6.509 17.467 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.677 -4.365 16.758 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.116 -4.620 16.003 1.00 0.00 H new ATOM 0 HG LEU A 43 5.310 -3.961 18.937 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.058 -1.581 18.352 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.603 -2.245 17.769 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.259 -1.987 16.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.066 -3.024 18.531 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.188 -3.489 16.817 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.156 -4.743 18.079 1.00 0.00 H new ATOM 635 N VAL A 44 7.733 -6.775 16.293 1.00 0.00 N ATOM 636 CA VAL A 44 8.568 -7.522 15.360 1.00 0.00 C ATOM 637 C VAL A 44 8.355 -9.024 15.514 1.00 0.00 C ATOM 638 O VAL A 44 8.167 -9.738 14.530 1.00 0.00 O ATOM 639 CB VAL A 44 10.061 -7.203 15.563 1.00 0.00 C ATOM 640 CG1 VAL A 44 10.917 -8.021 14.609 1.00 0.00 C ATOM 641 CG2 VAL A 44 10.317 -5.715 15.379 1.00 0.00 C ATOM 0 H VAL A 44 8.238 -6.090 16.855 1.00 0.00 H new ATOM 0 HA VAL A 44 8.272 -7.217 14.356 1.00 0.00 H new ATOM 0 HB VAL A 44 10.337 -7.473 16.582 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.969 -7.782 14.767 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.755 -9.083 14.794 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.642 -7.786 13.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.377 -5.507 15.526 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.025 -5.417 14.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.733 -5.153 16.107 1.00 0.00 H new ATOM 651 N MET A 45 8.386 -9.496 16.756 1.00 0.00 N ATOM 652 CA MET A 45 8.194 -10.914 17.039 1.00 0.00 C ATOM 653 C MET A 45 6.843 -11.394 16.519 1.00 0.00 C ATOM 654 O MET A 45 6.742 -12.469 15.929 1.00 0.00 O ATOM 655 CB MET A 45 8.297 -11.174 18.543 1.00 0.00 C ATOM 656 CG MET A 45 9.727 -11.270 19.047 1.00 0.00 C ATOM 657 SD MET A 45 9.826 -11.354 20.846 1.00 0.00 S ATOM 658 CE MET A 45 10.246 -13.079 21.082 1.00 0.00 C ATOM 0 H MET A 45 8.542 -8.918 17.582 1.00 0.00 H new ATOM 0 HA MET A 45 8.979 -11.471 16.527 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.785 -10.374 19.077 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.774 -12.101 18.780 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.200 -12.154 18.619 1.00 0.00 H new ATOM 0 HG3 MET A 45 10.291 -10.406 18.696 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.342 -13.288 22.148 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.461 -13.706 20.659 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.191 -13.295 20.583 1.00 0.00 H new ATOM 668 N ALA A 46 5.808 -10.591 16.743 1.00 0.00 N ATOM 669 CA ALA A 46 4.464 -10.935 16.296 1.00 0.00 C ATOM 670 C ALA A 46 4.420 -11.121 14.783 1.00 0.00 C ATOM 671 O ALA A 46 3.950 -12.145 14.287 1.00 0.00 O ATOM 672 CB ALA A 46 3.474 -9.862 16.726 1.00 0.00 C ATOM 0 H ALA A 46 5.875 -9.698 17.231 1.00 0.00 H new ATOM 0 HA ALA A 46 4.184 -11.880 16.761 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.474 -10.132 16.386 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.477 -9.779 17.813 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.761 -8.906 16.288 1.00 0.00 H new ATOM 678 N PHE A 47 4.913 -10.125 14.054 1.00 0.00 N ATOM 679 CA PHE A 47 4.928 -10.178 12.597 1.00 0.00 C ATOM 680 C PHE A 47 5.693 -11.404 12.106 1.00 0.00 C ATOM 681 O PHE A 47 5.250 -12.100 11.193 1.00 0.00 O ATOM 682 CB PHE A 47 5.558 -8.907 12.025 1.00 0.00 C ATOM 683 CG PHE A 47 5.004 -7.644 12.619 1.00 0.00 C ATOM 684 CD1 PHE A 47 3.637 -7.477 12.774 1.00 0.00 C ATOM 685 CD2 PHE A 47 5.849 -6.622 13.022 1.00 0.00 C ATOM 686 CE1 PHE A 47 3.123 -6.316 13.321 1.00 0.00 C ATOM 687 CE2 PHE A 47 5.341 -5.459 13.569 1.00 0.00 C ATOM 688 CZ PHE A 47 3.977 -5.305 13.718 1.00 0.00 C ATOM 0 H PHE A 47 5.307 -9.271 14.449 1.00 0.00 H new ATOM 0 HA PHE A 47 3.897 -10.251 12.250 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.634 -8.937 12.194 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.405 -8.889 10.946 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.965 -8.263 12.464 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.917 -6.736 12.907 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.056 -6.199 13.438 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.011 -4.671 13.880 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.578 -4.396 14.144 1.00 0.00 H new ATOM 698 N GLU A 48 6.845 -11.660 12.718 1.00 0.00 N ATOM 699 CA GLU A 48 7.672 -12.800 12.342 1.00 0.00 C ATOM 700 C GLU A 48 6.922 -14.111 12.559 1.00 0.00 C ATOM 701 O GLU A 48 7.011 -15.030 11.745 1.00 0.00 O ATOM 702 CB GLU A 48 8.972 -12.804 13.150 1.00 0.00 C ATOM 703 CG GLU A 48 10.107 -12.049 12.480 1.00 0.00 C ATOM 704 CD GLU A 48 9.653 -10.742 11.860 1.00 0.00 C ATOM 705 OE1 GLU A 48 9.142 -10.772 10.720 1.00 0.00 O ATOM 706 OE2 GLU A 48 9.807 -9.689 12.513 1.00 0.00 O ATOM 0 H GLU A 48 7.226 -11.094 13.476 1.00 0.00 H new ATOM 0 HA GLU A 48 7.911 -12.709 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.783 -12.364 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.282 -13.835 13.318 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.887 -11.847 13.214 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.551 -12.678 11.708 1.00 0.00 H new ATOM 713 N GLU A 49 6.185 -14.189 13.662 1.00 0.00 N ATOM 714 CA GLU A 49 5.421 -15.388 13.986 1.00 0.00 C ATOM 715 C GLU A 49 4.219 -15.535 13.057 1.00 0.00 C ATOM 716 O GLU A 49 3.780 -16.647 12.765 1.00 0.00 O ATOM 717 CB GLU A 49 4.951 -15.343 15.442 1.00 0.00 C ATOM 718 CG GLU A 49 4.080 -16.523 15.838 1.00 0.00 C ATOM 719 CD GLU A 49 4.097 -16.786 17.331 1.00 0.00 C ATOM 720 OE1 GLU A 49 5.046 -17.441 17.808 1.00 0.00 O ATOM 721 OE2 GLU A 49 3.159 -16.335 18.022 1.00 0.00 O ATOM 0 H GLU A 49 6.101 -13.437 14.346 1.00 0.00 H new ATOM 0 HA GLU A 49 6.073 -16.251 13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.823 -15.311 16.095 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.395 -14.420 15.607 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.055 -16.337 15.517 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.422 -17.414 15.312 1.00 0.00 H new ATOM 728 N GLU A 50 3.692 -14.405 12.597 1.00 0.00 N ATOM 729 CA GLU A 50 2.540 -14.408 11.703 1.00 0.00 C ATOM 730 C GLU A 50 2.960 -14.753 10.277 1.00 0.00 C ATOM 731 O GLU A 50 2.237 -15.440 9.554 1.00 0.00 O ATOM 732 CB GLU A 50 1.844 -13.045 11.726 1.00 0.00 C ATOM 733 CG GLU A 50 1.110 -12.759 13.025 1.00 0.00 C ATOM 734 CD GLU A 50 -0.263 -13.399 13.073 1.00 0.00 C ATOM 735 OE1 GLU A 50 -0.356 -14.623 12.841 1.00 0.00 O ATOM 736 OE2 GLU A 50 -1.245 -12.676 13.341 1.00 0.00 O ATOM 0 H GLU A 50 4.044 -13.476 12.828 1.00 0.00 H new ATOM 0 HA GLU A 50 1.843 -15.169 12.053 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.586 -12.265 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.136 -12.994 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.706 -13.123 13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.009 -11.681 13.151 1.00 0.00 H new ATOM 743 N PHE A 51 4.132 -14.271 9.879 1.00 0.00 N ATOM 744 CA PHE A 51 4.648 -14.526 8.539 1.00 0.00 C ATOM 745 C PHE A 51 5.360 -15.875 8.478 1.00 0.00 C ATOM 746 O PHE A 51 5.472 -16.482 7.414 1.00 0.00 O ATOM 747 CB PHE A 51 5.608 -13.411 8.118 1.00 0.00 C ATOM 748 CG PHE A 51 4.935 -12.286 7.385 1.00 0.00 C ATOM 749 CD1 PHE A 51 4.155 -11.366 8.066 1.00 0.00 C ATOM 750 CD2 PHE A 51 5.084 -12.148 6.014 1.00 0.00 C ATOM 751 CE1 PHE A 51 3.534 -10.331 7.394 1.00 0.00 C ATOM 752 CE2 PHE A 51 4.466 -11.114 5.336 1.00 0.00 C ATOM 753 CZ PHE A 51 3.691 -10.204 6.027 1.00 0.00 C ATOM 0 H PHE A 51 4.743 -13.702 10.465 1.00 0.00 H new ATOM 0 HA PHE A 51 3.804 -14.549 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.101 -13.013 9.005 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.387 -13.833 7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.031 -11.459 9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.690 -12.857 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.926 -9.622 7.937 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.589 -11.018 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.208 -9.394 5.500 1.00 0.00 H new ATOM 763 N GLY A 52 5.840 -16.336 9.629 1.00 0.00 N ATOM 764 CA GLY A 52 6.535 -17.609 9.685 1.00 0.00 C ATOM 765 C GLY A 52 8.021 -17.470 9.419 1.00 0.00 C ATOM 766 O GLY A 52 8.673 -18.420 8.983 1.00 0.00 O ATOM 0 H GLY A 52 5.760 -15.851 10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.385 -18.058 10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.100 -18.290 8.953 1.00 0.00 H new ATOM 770 N VAL A 53 8.559 -16.283 9.680 1.00 0.00 N ATOM 771 CA VAL A 53 9.978 -16.023 9.465 1.00 0.00 C ATOM 772 C VAL A 53 10.727 -15.936 10.790 1.00 0.00 C ATOM 773 O VAL A 53 10.186 -15.466 11.790 1.00 0.00 O ATOM 774 CB VAL A 53 10.196 -14.717 8.678 1.00 0.00 C ATOM 775 CG1 VAL A 53 9.594 -14.826 7.285 1.00 0.00 C ATOM 776 CG2 VAL A 53 9.606 -13.536 9.432 1.00 0.00 C ATOM 0 H VAL A 53 8.034 -15.486 10.041 1.00 0.00 H new ATOM 0 HA VAL A 53 10.369 -16.858 8.884 1.00 0.00 H new ATOM 0 HB VAL A 53 11.268 -14.552 8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.758 -13.894 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.069 -15.646 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.524 -15.016 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.769 -12.622 8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.536 -13.691 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.089 -13.447 10.405 1.00 0.00 H new ATOM 786 N GLU A 54 11.976 -16.392 10.789 1.00 0.00 N ATOM 787 CA GLU A 54 12.799 -16.365 11.992 1.00 0.00 C ATOM 788 C GLU A 54 14.014 -15.462 11.800 1.00 0.00 C ATOM 789 O GLU A 54 14.826 -15.679 10.899 1.00 0.00 O ATOM 790 CB GLU A 54 13.254 -17.780 12.356 1.00 0.00 C ATOM 791 CG GLU A 54 12.108 -18.761 12.535 1.00 0.00 C ATOM 792 CD GLU A 54 12.553 -20.072 13.154 1.00 0.00 C ATOM 793 OE1 GLU A 54 13.451 -20.044 14.021 1.00 0.00 O ATOM 794 OE2 GLU A 54 12.002 -21.125 12.771 1.00 0.00 O ATOM 0 H GLU A 54 12.439 -16.784 9.969 1.00 0.00 H new ATOM 0 HA GLU A 54 12.195 -15.964 12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.920 -18.150 11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.834 -17.740 13.278 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.342 -18.308 13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.649 -18.958 11.566 1.00 0.00 H new ATOM 801 N ILE A 55 14.131 -14.449 12.652 1.00 0.00 N ATOM 802 CA ILE A 55 15.246 -13.513 12.576 1.00 0.00 C ATOM 803 C ILE A 55 15.966 -13.407 13.916 1.00 0.00 C ATOM 804 O ILE A 55 15.400 -13.675 14.976 1.00 0.00 O ATOM 805 CB ILE A 55 14.777 -12.111 12.146 1.00 0.00 C ATOM 806 CG1 ILE A 55 13.518 -11.711 12.919 1.00 0.00 C ATOM 807 CG2 ILE A 55 14.518 -12.076 10.647 1.00 0.00 C ATOM 808 CD1 ILE A 55 13.095 -10.278 12.684 1.00 0.00 C ATOM 0 H ILE A 55 13.468 -14.256 13.402 1.00 0.00 H new ATOM 0 HA ILE A 55 15.934 -13.902 11.826 1.00 0.00 H new ATOM 0 HB ILE A 55 15.565 -11.394 12.376 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.701 -12.374 12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.693 -11.860 13.985 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.187 -11.078 10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.436 -12.323 10.113 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.745 -12.802 10.394 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.197 -10.064 13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.895 -9.607 12.995 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.888 -10.129 11.624 1.00 0.00 H new ATOM 820 N PRO A 56 17.245 -13.005 13.871 1.00 0.00 N ATOM 821 CA PRO A 56 18.070 -12.851 15.073 1.00 0.00 C ATOM 822 C PRO A 56 17.627 -11.672 15.933 1.00 0.00 C ATOM 823 O PRO A 56 16.964 -10.753 15.450 1.00 0.00 O ATOM 824 CB PRO A 56 19.472 -12.606 14.512 1.00 0.00 C ATOM 825 CG PRO A 56 19.244 -12.029 13.158 1.00 0.00 C ATOM 826 CD PRO A 56 17.984 -12.668 12.643 1.00 0.00 C ATOM 0 HA PRO A 56 18.004 -13.721 15.727 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.037 -11.921 15.144 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.043 -13.533 14.456 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.140 -10.945 13.208 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.086 -12.238 12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.418 -11.986 12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 56 18.198 -13.555 12.047 1.00 0.00 H new ATOM 834 N ASP A 57 17.997 -11.704 17.208 1.00 0.00 N ATOM 835 CA ASP A 57 17.639 -10.636 18.135 1.00 0.00 C ATOM 836 C ASP A 57 18.439 -9.371 17.842 1.00 0.00 C ATOM 837 O ASP A 57 18.005 -8.263 18.159 1.00 0.00 O ATOM 838 CB ASP A 57 17.879 -11.083 19.578 1.00 0.00 C ATOM 839 CG ASP A 57 17.545 -9.998 20.583 1.00 0.00 C ATOM 840 OD1 ASP A 57 16.368 -9.584 20.639 1.00 0.00 O ATOM 841 OD2 ASP A 57 18.460 -9.563 21.313 1.00 0.00 O ATOM 0 H ASP A 57 18.545 -12.457 17.624 1.00 0.00 H new ATOM 0 HA ASP A 57 16.580 -10.413 18.003 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.275 -11.966 19.787 1.00 0.00 H new ATOM 0 HB3 ASP A 57 18.922 -11.375 19.696 1.00 0.00 H new ATOM 846 N ASP A 58 19.608 -9.543 17.235 1.00 0.00 N ATOM 847 CA ASP A 58 20.469 -8.415 16.899 1.00 0.00 C ATOM 848 C ASP A 58 19.848 -7.569 15.791 1.00 0.00 C ATOM 849 O ASP A 58 19.807 -6.343 15.882 1.00 0.00 O ATOM 850 CB ASP A 58 21.849 -8.911 16.466 1.00 0.00 C ATOM 851 CG ASP A 58 22.520 -9.759 17.529 1.00 0.00 C ATOM 852 OD1 ASP A 58 22.218 -9.559 18.724 1.00 0.00 O ATOM 853 OD2 ASP A 58 23.347 -10.621 17.166 1.00 0.00 O ATOM 0 H ASP A 58 19.981 -10.453 16.965 1.00 0.00 H new ATOM 0 HA ASP A 58 20.577 -7.794 17.788 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.751 -9.493 15.549 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.483 -8.055 16.234 1.00 0.00 H new ATOM 858 N ALA A 59 19.366 -8.234 14.746 1.00 0.00 N ATOM 859 CA ALA A 59 18.747 -7.543 13.621 1.00 0.00 C ATOM 860 C ALA A 59 17.553 -6.713 14.078 1.00 0.00 C ATOM 861 O ALA A 59 17.290 -5.638 13.538 1.00 0.00 O ATOM 862 CB ALA A 59 18.321 -8.544 12.557 1.00 0.00 C ATOM 0 H ALA A 59 19.392 -9.250 14.655 1.00 0.00 H new ATOM 0 HA ALA A 59 19.485 -6.865 13.191 1.00 0.00 H new ATOM 0 HB1 ALA A 59 17.860 -8.015 11.723 1.00 0.00 H new ATOM 0 HB2 ALA A 59 19.194 -9.091 12.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.603 -9.244 12.983 1.00 0.00 H new ATOM 868 N ALA A 60 16.832 -7.218 15.073 1.00 0.00 N ATOM 869 CA ALA A 60 15.666 -6.521 15.603 1.00 0.00 C ATOM 870 C ALA A 60 16.032 -5.117 16.073 1.00 0.00 C ATOM 871 O ALA A 60 15.182 -4.229 16.120 1.00 0.00 O ATOM 872 CB ALA A 60 15.049 -7.317 16.743 1.00 0.00 C ATOM 0 H ALA A 60 17.035 -8.108 15.529 1.00 0.00 H new ATOM 0 HA ALA A 60 14.934 -6.428 14.801 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.180 -6.785 17.129 1.00 0.00 H new ATOM 0 HB2 ALA A 60 14.742 -8.297 16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 60 15.783 -7.440 17.540 1.00 0.00 H new ATOM 878 N GLU A 61 17.301 -4.926 16.419 1.00 0.00 N ATOM 879 CA GLU A 61 17.777 -3.630 16.887 1.00 0.00 C ATOM 880 C GLU A 61 17.657 -2.577 15.789 1.00 0.00 C ATOM 881 O GLU A 61 17.568 -1.380 16.066 1.00 0.00 O ATOM 882 CB GLU A 61 19.231 -3.733 17.352 1.00 0.00 C ATOM 883 CG GLU A 61 19.418 -4.612 18.578 1.00 0.00 C ATOM 884 CD GLU A 61 19.139 -3.873 19.872 1.00 0.00 C ATOM 885 OE1 GLU A 61 19.966 -3.019 20.257 1.00 0.00 O ATOM 886 OE2 GLU A 61 18.096 -4.148 20.501 1.00 0.00 O ATOM 0 H GLU A 61 18.017 -5.651 16.384 1.00 0.00 H new ATOM 0 HA GLU A 61 17.154 -3.326 17.728 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.837 -4.128 16.537 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.605 -2.733 17.572 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.756 -5.475 18.506 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.439 -4.994 18.595 1.00 0.00 H new ATOM 893 N THR A 62 17.654 -3.031 14.539 1.00 0.00 N ATOM 894 CA THR A 62 17.547 -2.131 13.399 1.00 0.00 C ATOM 895 C THR A 62 16.109 -1.663 13.201 1.00 0.00 C ATOM 896 O THR A 62 15.860 -0.658 12.534 1.00 0.00 O ATOM 897 CB THR A 62 18.038 -2.804 12.103 1.00 0.00 C ATOM 898 OG1 THR A 62 17.087 -3.783 11.669 1.00 0.00 O ATOM 899 CG2 THR A 62 19.392 -3.463 12.316 1.00 0.00 C ATOM 0 H THR A 62 17.725 -4.018 14.291 1.00 0.00 H new ATOM 0 HA THR A 62 18.180 -1.271 13.616 1.00 0.00 H new ATOM 0 HB THR A 62 18.142 -2.036 11.337 1.00 0.00 H new ATOM 0 HG1 THR A 62 16.937 -4.434 12.386 1.00 0.00 H new ATOM 0 HG21 THR A 62 19.719 -3.932 11.388 1.00 0.00 H new ATOM 0 HG22 THR A 62 20.120 -2.710 12.618 1.00 0.00 H new ATOM 0 HG23 THR A 62 19.309 -4.221 13.095 1.00 0.00 H new ATOM 907 N ILE A 63 15.168 -2.396 13.786 1.00 0.00 N ATOM 908 CA ILE A 63 13.755 -2.054 13.675 1.00 0.00 C ATOM 909 C ILE A 63 13.453 -0.733 14.374 1.00 0.00 C ATOM 910 O ILE A 63 13.157 -0.703 15.569 1.00 0.00 O ATOM 911 CB ILE A 63 12.861 -3.155 14.275 1.00 0.00 C ATOM 912 CG1 ILE A 63 13.264 -4.525 13.726 1.00 0.00 C ATOM 913 CG2 ILE A 63 11.397 -2.869 13.977 1.00 0.00 C ATOM 914 CD1 ILE A 63 13.170 -4.624 12.220 1.00 0.00 C ATOM 0 H ILE A 63 15.358 -3.230 14.341 1.00 0.00 H new ATOM 0 HA ILE A 63 13.536 -1.958 12.612 1.00 0.00 H new ATOM 0 HB ILE A 63 12.997 -3.164 15.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 14.287 -4.744 14.033 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.627 -5.288 14.173 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.778 -3.656 14.407 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.118 -1.909 14.412 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.245 -2.837 12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.471 -5.622 11.902 1.00 0.00 H new ATOM 0 HD12 ILE A 63 12.143 -4.437 11.906 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.829 -3.884 11.765 1.00 0.00 H new ATOM 926 N LEU A 64 13.528 0.359 13.620 1.00 0.00 N ATOM 927 CA LEU A 64 13.261 1.685 14.166 1.00 0.00 C ATOM 928 C LEU A 64 11.960 2.252 13.606 1.00 0.00 C ATOM 929 O LEU A 64 11.033 2.565 14.353 1.00 0.00 O ATOM 930 CB LEU A 64 14.421 2.631 13.851 1.00 0.00 C ATOM 931 CG LEU A 64 15.780 2.244 14.435 1.00 0.00 C ATOM 932 CD1 LEU A 64 16.900 2.975 13.710 1.00 0.00 C ATOM 933 CD2 LEU A 64 15.824 2.542 15.926 1.00 0.00 C ATOM 0 H LEU A 64 13.771 0.352 12.629 1.00 0.00 H new ATOM 0 HA LEU A 64 13.160 1.592 15.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.521 2.703 12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.162 3.625 14.214 1.00 0.00 H new ATOM 0 HG LEU A 64 15.923 1.173 14.295 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.860 2.687 14.139 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.882 2.711 12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.762 4.051 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.799 2.260 16.325 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.659 3.607 16.089 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.046 1.973 16.434 1.00 0.00 H new ATOM 945 N THR A 65 11.897 2.381 12.284 1.00 0.00 N ATOM 946 CA THR A 65 10.711 2.909 11.623 1.00 0.00 C ATOM 947 C THR A 65 9.944 1.805 10.904 1.00 0.00 C ATOM 948 O THR A 65 10.463 0.707 10.700 1.00 0.00 O ATOM 949 CB THR A 65 11.075 4.010 10.609 1.00 0.00 C ATOM 950 OG1 THR A 65 12.070 3.527 9.699 1.00 0.00 O ATOM 951 CG2 THR A 65 11.591 5.251 11.320 1.00 0.00 C ATOM 0 H THR A 65 12.655 2.127 11.650 1.00 0.00 H new ATOM 0 HA THR A 65 10.080 3.337 12.402 1.00 0.00 H new ATOM 0 HB THR A 65 10.175 4.276 10.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.295 4.232 9.056 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.842 6.015 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.821 5.633 11.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.481 4.997 11.896 1.00 0.00 H new ATOM 959 N VAL A 66 8.707 2.103 10.520 1.00 0.00 N ATOM 960 CA VAL A 66 7.869 1.135 9.822 1.00 0.00 C ATOM 961 C VAL A 66 8.598 0.544 8.620 1.00 0.00 C ATOM 962 O VAL A 66 8.546 -0.661 8.380 1.00 0.00 O ATOM 963 CB VAL A 66 6.551 1.774 9.346 1.00 0.00 C ATOM 964 CG1 VAL A 66 5.715 0.763 8.577 1.00 0.00 C ATOM 965 CG2 VAL A 66 5.773 2.332 10.528 1.00 0.00 C ATOM 0 H VAL A 66 8.263 3.007 10.680 1.00 0.00 H new ATOM 0 HA VAL A 66 7.643 0.341 10.533 1.00 0.00 H new ATOM 0 HB VAL A 66 6.789 2.599 8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.788 1.232 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.273 0.415 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.484 -0.084 9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.845 2.780 10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.544 1.527 11.226 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.372 3.090 11.033 1.00 0.00 H new ATOM 975 N GLY A 67 9.278 1.403 7.866 1.00 0.00 N ATOM 976 CA GLY A 67 10.009 0.948 6.698 1.00 0.00 C ATOM 977 C GLY A 67 10.944 -0.203 7.011 1.00 0.00 C ATOM 978 O GLY A 67 11.018 -1.174 6.258 1.00 0.00 O ATOM 0 H GLY A 67 9.335 2.406 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.302 0.639 5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.584 1.778 6.287 1.00 0.00 H new ATOM 982 N ASP A 68 11.661 -0.095 8.124 1.00 0.00 N ATOM 983 CA ASP A 68 12.597 -1.134 8.534 1.00 0.00 C ATOM 984 C ASP A 68 11.870 -2.451 8.788 1.00 0.00 C ATOM 985 O ASP A 68 12.201 -3.478 8.196 1.00 0.00 O ATOM 986 CB ASP A 68 13.351 -0.703 9.793 1.00 0.00 C ATOM 987 CG ASP A 68 14.323 0.429 9.527 1.00 0.00 C ATOM 988 OD1 ASP A 68 14.759 0.577 8.366 1.00 0.00 O ATOM 989 OD2 ASP A 68 14.647 1.169 10.480 1.00 0.00 O ATOM 0 H ASP A 68 11.612 0.702 8.758 1.00 0.00 H new ATOM 0 HA ASP A 68 13.312 -1.284 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.635 -0.392 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.894 -1.557 10.198 1.00 0.00 H new ATOM 994 N ALA A 69 10.879 -2.413 9.672 1.00 0.00 N ATOM 995 CA ALA A 69 10.104 -3.603 10.003 1.00 0.00 C ATOM 996 C ALA A 69 9.507 -4.235 8.751 1.00 0.00 C ATOM 997 O ALA A 69 9.733 -5.411 8.468 1.00 0.00 O ATOM 998 CB ALA A 69 9.006 -3.258 10.998 1.00 0.00 C ATOM 0 H ALA A 69 10.593 -1.571 10.172 1.00 0.00 H new ATOM 0 HA ALA A 69 10.777 -4.329 10.459 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.435 -4.156 11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.453 -2.860 11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.342 -2.511 10.563 1.00 0.00 H new ATOM 1004 N VAL A 70 8.741 -3.446 8.003 1.00 0.00 N ATOM 1005 CA VAL A 70 8.111 -3.929 6.780 1.00 0.00 C ATOM 1006 C VAL A 70 9.142 -4.526 5.829 1.00 0.00 C ATOM 1007 O VAL A 70 9.022 -5.678 5.410 1.00 0.00 O ATOM 1008 CB VAL A 70 7.354 -2.800 6.055 1.00 0.00 C ATOM 1009 CG1 VAL A 70 6.733 -3.315 4.766 1.00 0.00 C ATOM 1010 CG2 VAL A 70 6.292 -2.200 6.965 1.00 0.00 C ATOM 0 H VAL A 70 8.542 -2.470 8.223 1.00 0.00 H new ATOM 0 HA VAL A 70 7.401 -4.702 7.074 1.00 0.00 H new ATOM 0 HB VAL A 70 8.066 -2.016 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.203 -2.503 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.517 -3.692 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.033 -4.119 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.767 -1.404 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.581 -2.974 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.766 -1.792 7.857 1.00 0.00 H new ATOM 1020 N LYS A 71 10.156 -3.737 5.493 1.00 0.00 N ATOM 1021 CA LYS A 71 11.211 -4.187 4.593 1.00 0.00 C ATOM 1022 C LYS A 71 11.809 -5.506 5.072 1.00 0.00 C ATOM 1023 O LYS A 71 12.179 -6.360 4.267 1.00 0.00 O ATOM 1024 CB LYS A 71 12.308 -3.125 4.488 1.00 0.00 C ATOM 1025 CG LYS A 71 11.942 -1.961 3.584 1.00 0.00 C ATOM 1026 CD LYS A 71 12.988 -0.860 3.642 1.00 0.00 C ATOM 1027 CE LYS A 71 13.069 -0.098 2.328 1.00 0.00 C ATOM 1028 NZ LYS A 71 11.732 0.378 1.879 1.00 0.00 N ATOM 0 H LYS A 71 10.270 -2.781 5.831 1.00 0.00 H new ATOM 0 HA LYS A 71 10.771 -4.344 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.530 -2.744 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.220 -3.592 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.840 -2.314 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.973 -1.560 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.746 -0.169 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.961 -1.293 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.738 0.755 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.502 -0.741 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.847 1.031 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.156 -0.435 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.258 0.871 2.663 1.00 0.00 H new ATOM 1042 N PHE A 72 11.901 -5.664 6.389 1.00 0.00 N ATOM 1043 CA PHE A 72 12.454 -6.880 6.975 1.00 0.00 C ATOM 1044 C PHE A 72 11.558 -8.080 6.686 1.00 0.00 C ATOM 1045 O PHE A 72 11.988 -9.054 6.067 1.00 0.00 O ATOM 1046 CB PHE A 72 12.625 -6.709 8.486 1.00 0.00 C ATOM 1047 CG PHE A 72 13.839 -7.405 9.034 1.00 0.00 C ATOM 1048 CD1 PHE A 72 14.141 -8.702 8.653 1.00 0.00 C ATOM 1049 CD2 PHE A 72 14.677 -6.761 9.930 1.00 0.00 C ATOM 1050 CE1 PHE A 72 15.257 -9.345 9.155 1.00 0.00 C ATOM 1051 CE2 PHE A 72 15.794 -7.398 10.435 1.00 0.00 C ATOM 1052 CZ PHE A 72 16.084 -8.692 10.048 1.00 0.00 C ATOM 0 H PHE A 72 11.600 -4.966 7.070 1.00 0.00 H new ATOM 0 HA PHE A 72 13.429 -7.061 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 72 12.689 -5.646 8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.738 -7.092 8.990 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.497 -9.217 7.956 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.454 -5.750 10.237 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.482 -10.356 8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 72 16.440 -6.885 11.132 1.00 0.00 H new ATOM 0 HZ PHE A 72 16.956 -9.192 10.443 1.00 0.00 H new ATOM 1062 N ILE A 73 10.311 -8.003 7.138 1.00 0.00 N ATOM 1063 CA ILE A 73 9.354 -9.082 6.927 1.00 0.00 C ATOM 1064 C ILE A 73 9.278 -9.470 5.454 1.00 0.00 C ATOM 1065 O ILE A 73 9.138 -10.646 5.118 1.00 0.00 O ATOM 1066 CB ILE A 73 7.947 -8.690 7.416 1.00 0.00 C ATOM 1067 CG1 ILE A 73 7.979 -8.345 8.906 1.00 0.00 C ATOM 1068 CG2 ILE A 73 6.961 -9.818 7.149 1.00 0.00 C ATOM 1069 CD1 ILE A 73 6.840 -7.450 9.343 1.00 0.00 C ATOM 0 H ILE A 73 9.940 -7.205 7.653 1.00 0.00 H new ATOM 0 HA ILE A 73 9.707 -9.935 7.507 1.00 0.00 H new ATOM 0 HB ILE A 73 7.619 -7.808 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.948 -9.268 9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.925 -7.855 9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.971 -9.527 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.921 -10.021 6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.283 -10.716 7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.926 -7.247 10.410 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.882 -6.512 8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.890 -7.946 9.144 1.00 0.00 H new ATOM 1081 N ASP A 74 9.375 -8.474 4.580 1.00 0.00 N ATOM 1082 CA ASP A 74 9.320 -8.711 3.142 1.00 0.00 C ATOM 1083 C ASP A 74 10.592 -9.399 2.657 1.00 0.00 C ATOM 1084 O ASP A 74 10.543 -10.292 1.810 1.00 0.00 O ATOM 1085 CB ASP A 74 9.122 -7.392 2.394 1.00 0.00 C ATOM 1086 CG ASP A 74 8.516 -7.592 1.019 1.00 0.00 C ATOM 1087 OD1 ASP A 74 8.511 -8.743 0.535 1.00 0.00 O ATOM 1088 OD2 ASP A 74 8.047 -6.597 0.426 1.00 0.00 O ATOM 0 H ASP A 74 9.492 -7.495 4.842 1.00 0.00 H new ATOM 0 HA ASP A 74 8.473 -9.366 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.477 -6.738 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.082 -6.886 2.295 1.00 0.00 H new ATOM 1093 N LYS A 75 11.730 -8.978 3.197 1.00 0.00 N ATOM 1094 CA LYS A 75 13.016 -9.554 2.820 1.00 0.00 C ATOM 1095 C LYS A 75 13.164 -10.966 3.378 1.00 0.00 C ATOM 1096 O LYS A 75 13.899 -11.786 2.828 1.00 0.00 O ATOM 1097 CB LYS A 75 14.160 -8.672 3.325 1.00 0.00 C ATOM 1098 CG LYS A 75 14.534 -7.553 2.367 1.00 0.00 C ATOM 1099 CD LYS A 75 15.540 -8.021 1.329 1.00 0.00 C ATOM 1100 CE LYS A 75 14.850 -8.638 0.122 1.00 0.00 C ATOM 1101 NZ LYS A 75 15.644 -8.455 -1.124 1.00 0.00 N ATOM 0 H LYS A 75 11.789 -8.239 3.898 1.00 0.00 H new ATOM 0 HA LYS A 75 13.058 -9.606 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.877 -8.238 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.037 -9.295 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.638 -7.186 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.951 -6.717 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.152 -7.178 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.214 -8.751 1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.692 -9.702 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.866 -8.186 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.140 -8.889 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.774 -7.439 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.573 -8.908 -1.013 1.00 0.00 H new ATOM 1115 N ALA A 76 12.461 -11.243 4.471 1.00 0.00 N ATOM 1116 CA ALA A 76 12.513 -12.556 5.100 1.00 0.00 C ATOM 1117 C ALA A 76 11.439 -13.479 4.533 1.00 0.00 C ATOM 1118 O ALA A 76 11.578 -14.702 4.565 1.00 0.00 O ATOM 1119 CB ALA A 76 12.357 -12.426 6.608 1.00 0.00 C ATOM 0 H ALA A 76 11.849 -10.575 4.939 1.00 0.00 H new ATOM 0 HA ALA A 76 13.486 -12.997 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.398 -13.415 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.163 -11.809 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.398 -11.960 6.836 1.00 0.00 H new ATOM 1125 N SER A 77 10.369 -12.886 4.015 1.00 0.00 N ATOM 1126 CA SER A 77 9.269 -13.655 3.445 1.00 0.00 C ATOM 1127 C SER A 77 9.761 -14.543 2.305 1.00 0.00 C ATOM 1128 O SER A 77 9.179 -15.590 2.024 1.00 0.00 O ATOM 1129 CB SER A 77 8.171 -12.717 2.939 1.00 0.00 C ATOM 1130 OG SER A 77 8.595 -12.013 1.784 1.00 0.00 O ATOM 0 H SER A 77 10.240 -11.875 3.978 1.00 0.00 H new ATOM 0 HA SER A 77 8.859 -14.292 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.274 -13.292 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.903 -12.009 3.723 1.00 0.00 H new ATOM 0 HG SER A 77 9.521 -11.717 1.903 1.00 0.00 H new ATOM 1136 N ALA A 78 10.837 -14.115 1.652 1.00 0.00 N ATOM 1137 CA ALA A 78 11.409 -14.870 0.545 1.00 0.00 C ATOM 1138 C ALA A 78 12.312 -15.989 1.052 1.00 0.00 C ATOM 1139 O ALA A 78 13.500 -15.777 1.299 1.00 0.00 O ATOM 1140 CB ALA A 78 12.182 -13.944 -0.382 1.00 0.00 C ATOM 0 H ALA A 78 11.330 -13.249 1.871 1.00 0.00 H new ATOM 0 HA ALA A 78 10.591 -15.324 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.604 -14.522 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.510 -13.184 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.987 -13.462 0.173 1.00 0.00 H new