USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 878 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 71 LYS NZ :NH3+ -173:sc= 0.493 (180deg=-0.613) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.15 (180deg=-0.133) USER MOD Single : A 2 THR OG1 : rot 151:sc= 0.262 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.764) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00498 USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= 0.929 (180deg=-0.53!) USER MOD Single : A 19 GLN : amide:sc= -0.36 K(o=-0.36,f=-2.1!) USER MOD Single : A 25 SER OG : rot 62:sc= 0.0344 USER MOD Single : A 35 HIS : no HE2:sc= -0.929 K(o=-0.93,f=-3.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.87 K(o=-1.9,f=-0.25) USER MOD Single : A 43 GLN : amide:sc= 1.57 K(o=1.6,f=-5.5!) USER MOD Single : A 45 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc=-0.000149 (180deg=-0.108) USER MOD Single : A 53 GLN : amide:sc= 0.0659 K(o=0.066,f=-0.81) USER MOD Single : A 55 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.4!) USER MOD Single : A 75 SER OG : rot 10:sc= 0.662 USER MOD Single : A 83 HIS : no HE2:sc= -0.215 K(o=-0.21,f=-4.1!) USER MOD Single : A 91 SER OG : rot -32:sc= 0.445 USER MOD Single : A 94 THR OG1 : rot -140:sc= 0.191 USER MOD Single : A 108 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.6!) USER MOD Single : A 112 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.418 -3.577 16.117 1.00 0.00 N ATOM 2 CA MET A 1 7.338 -2.622 15.440 1.00 0.00 C ATOM 3 C MET A 1 7.837 -3.204 14.104 1.00 0.00 C ATOM 4 O MET A 1 8.858 -3.887 14.061 1.00 0.00 O ATOM 5 CB MET A 1 8.524 -2.288 16.362 1.00 0.00 C ATOM 6 CG MET A 1 9.293 -1.028 15.974 1.00 0.00 C ATOM 7 SD MET A 1 9.956 -1.087 14.298 1.00 0.00 S ATOM 8 CE MET A 1 10.862 0.459 14.239 1.00 0.00 C ATOM 0 H1 MET A 1 5.487 -3.131 16.245 1.00 0.00 H new ATOM 0 H2 MET A 1 6.315 -4.432 15.534 1.00 0.00 H new ATOM 0 H3 MET A 1 6.808 -3.836 17.046 1.00 0.00 H new ATOM 0 HA MET A 1 6.792 -1.703 15.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.154 -2.173 17.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.213 -3.132 16.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.634 -0.165 16.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.113 -0.880 16.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.331 0.569 13.261 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.176 1.289 14.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.630 0.460 15.012 1.00 0.00 H new ATOM 20 N THR A 2 7.085 -2.943 13.030 1.00 0.00 N ATOM 21 CA THR A 2 7.397 -3.448 11.673 1.00 0.00 C ATOM 22 C THR A 2 6.478 -2.798 10.625 1.00 0.00 C ATOM 23 O THR A 2 5.488 -3.390 10.192 1.00 0.00 O ATOM 24 CB THR A 2 7.265 -5.000 11.554 1.00 0.00 C ATOM 25 OG1 THR A 2 6.260 -5.485 12.455 1.00 0.00 O ATOM 26 CG2 THR A 2 8.588 -5.715 11.824 1.00 0.00 C ATOM 0 H THR A 2 6.239 -2.375 13.069 1.00 0.00 H new ATOM 0 HA THR A 2 8.437 -3.180 11.488 1.00 0.00 H new ATOM 0 HB THR A 2 6.974 -5.219 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.853 -6.296 12.085 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.446 -6.792 11.730 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.335 -5.383 11.103 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.929 -5.481 12.833 1.00 0.00 H new ATOM 34 N LEU A 3 6.806 -1.574 10.225 1.00 0.00 N ATOM 35 CA LEU A 3 5.951 -0.803 9.313 1.00 0.00 C ATOM 36 C LEU A 3 6.263 -1.083 7.834 1.00 0.00 C ATOM 37 O LEU A 3 7.345 -0.760 7.343 1.00 0.00 O ATOM 38 CB LEU A 3 6.100 0.701 9.598 1.00 0.00 C ATOM 39 CG LEU A 3 5.640 1.153 10.996 1.00 0.00 C ATOM 40 CD1 LEU A 3 5.898 2.643 11.205 1.00 0.00 C ATOM 41 CD2 LEU A 3 4.163 0.833 11.205 1.00 0.00 C ATOM 0 H LEU A 3 7.656 -1.090 10.515 1.00 0.00 H new ATOM 0 HA LEU A 3 4.924 -1.118 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.147 0.976 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.532 1.254 8.850 1.00 0.00 H new ATOM 0 HG LEU A 3 6.223 0.602 11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.563 2.934 12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.965 2.845 11.107 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.350 3.216 10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.857 1.160 12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.568 1.352 10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.007 -0.242 11.113 1.00 0.00 H new ATOM 53 N ILE A 4 5.309 -1.692 7.133 1.00 0.00 N ATOM 54 CA ILE A 4 5.390 -1.841 5.676 1.00 0.00 C ATOM 55 C ILE A 4 4.554 -0.746 4.989 1.00 0.00 C ATOM 56 O ILE A 4 3.477 -0.382 5.468 1.00 0.00 O ATOM 57 CB ILE A 4 4.924 -3.249 5.207 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.483 -3.538 5.667 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.880 -4.323 5.729 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.960 -4.903 5.259 1.00 0.00 C ATOM 0 H ILE A 4 4.468 -2.092 7.549 1.00 0.00 H new ATOM 0 HA ILE A 4 6.436 -1.733 5.390 1.00 0.00 H new ATOM 0 HB ILE A 4 4.937 -3.267 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.437 -3.454 6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.823 -2.772 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.543 -5.304 5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.883 -4.134 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.896 -4.297 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.940 -5.025 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.971 -4.987 4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.594 -5.679 5.689 1.00 0.00 H new ATOM 72 N TYR A 5 5.051 -0.217 3.873 1.00 0.00 N ATOM 73 CA TYR A 5 4.437 0.957 3.236 1.00 0.00 C ATOM 74 C TYR A 5 3.908 0.656 1.825 1.00 0.00 C ATOM 75 O TYR A 5 4.463 -0.167 1.093 1.00 0.00 O ATOM 76 CB TYR A 5 5.451 2.108 3.190 1.00 0.00 C ATOM 77 CG TYR A 5 5.870 2.593 4.568 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.898 1.967 5.267 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.225 3.664 5.177 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.273 2.399 6.526 1.00 0.00 C ATOM 81 CE2 TYR A 5 5.594 4.100 6.434 1.00 0.00 C ATOM 82 CZ TYR A 5 6.616 3.464 7.105 1.00 0.00 C ATOM 83 OH TYR A 5 6.983 3.900 8.358 1.00 0.00 O ATOM 0 H TYR A 5 5.873 -0.577 3.389 1.00 0.00 H new ATOM 0 HA TYR A 5 3.576 1.244 3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.335 1.783 2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.020 2.941 2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.412 1.130 4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.421 4.164 4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.076 1.905 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.084 4.936 6.889 1.00 0.00 H new ATOM 0 HH TYR A 5 6.421 4.659 8.618 1.00 0.00 H new ATOM 93 N LYS A 6 2.823 1.336 1.456 1.00 0.00 N ATOM 94 CA LYS A 6 2.197 1.159 0.142 1.00 0.00 C ATOM 95 C LYS A 6 1.472 2.442 -0.309 1.00 0.00 C ATOM 96 O LYS A 6 0.536 2.899 0.340 1.00 0.00 O ATOM 97 CB LYS A 6 1.227 -0.029 0.208 1.00 0.00 C ATOM 98 CG LYS A 6 0.527 -0.354 -1.106 1.00 0.00 C ATOM 99 CD LYS A 6 -0.157 -1.716 -1.039 1.00 0.00 C ATOM 100 CE LYS A 6 -0.914 -2.038 -2.316 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.268 -3.476 -2.394 1.00 0.00 N ATOM 0 H LYS A 6 2.355 2.019 2.052 1.00 0.00 H new ATOM 0 HA LYS A 6 2.970 0.954 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.776 -0.911 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.471 0.179 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.211 0.417 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.252 -0.347 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.590 -2.488 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.846 -1.734 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.822 -1.436 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.306 -1.765 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.884 -3.638 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.401 -4.042 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.768 -3.758 -1.527 1.00 0.00 H new ATOM 115 N ILE A 7 1.916 3.023 -1.426 1.00 0.00 N ATOM 116 CA ILE A 7 1.361 4.296 -1.916 1.00 0.00 C ATOM 117 C ILE A 7 0.221 4.068 -2.929 1.00 0.00 C ATOM 118 O ILE A 7 0.203 3.066 -3.650 1.00 0.00 O ATOM 119 CB ILE A 7 2.455 5.192 -2.580 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.650 5.432 -1.631 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.862 6.533 -3.022 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.585 4.247 -1.479 1.00 0.00 C ATOM 0 H ILE A 7 2.657 2.636 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 7 0.966 4.809 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 7 2.822 4.658 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.222 6.285 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.267 5.704 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.641 7.141 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.065 6.358 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.458 7.056 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.393 4.507 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.032 3.396 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.002 3.986 -2.451 1.00 0.00 H new ATOM 134 N LEU A 8 -0.734 5.002 -2.963 1.00 0.00 N ATOM 135 CA LEU A 8 -1.827 4.983 -3.949 1.00 0.00 C ATOM 136 C LEU A 8 -2.472 6.374 -4.084 1.00 0.00 C ATOM 137 O LEU A 8 -2.178 7.284 -3.307 1.00 0.00 O ATOM 138 CB LEU A 8 -2.906 3.953 -3.563 1.00 0.00 C ATOM 139 CG LEU A 8 -3.781 4.318 -2.348 1.00 0.00 C ATOM 140 CD1 LEU A 8 -4.908 3.308 -2.175 1.00 0.00 C ATOM 141 CD2 LEU A 8 -2.947 4.409 -1.073 1.00 0.00 C ATOM 0 H LEU A 8 -0.775 5.788 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.393 4.697 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.558 3.799 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.416 3.001 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.218 5.299 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.514 3.583 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.531 3.302 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.486 2.315 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.592 4.668 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.470 3.448 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.182 5.176 -1.193 1.00 0.00 H new ATOM 153 N SER A 9 -3.354 6.538 -5.066 1.00 0.00 N ATOM 154 CA SER A 9 -4.088 7.802 -5.230 1.00 0.00 C ATOM 155 C SER A 9 -5.266 7.887 -4.256 1.00 0.00 C ATOM 156 O SER A 9 -5.906 6.878 -3.947 1.00 0.00 O ATOM 157 CB SER A 9 -4.611 7.964 -6.662 1.00 0.00 C ATOM 158 OG SER A 9 -5.464 9.096 -6.764 1.00 0.00 O ATOM 0 H SER A 9 -3.581 5.823 -5.757 1.00 0.00 H new ATOM 0 HA SER A 9 -3.384 8.606 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.772 8.072 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.154 7.067 -6.959 1.00 0.00 H new ATOM 0 HG SER A 9 -5.785 9.182 -7.686 1.00 0.00 H new ATOM 164 N ARG A 10 -5.557 9.096 -3.782 1.00 0.00 N ATOM 165 CA ARG A 10 -6.675 9.318 -2.857 1.00 0.00 C ATOM 166 C ARG A 10 -8.014 8.863 -3.469 1.00 0.00 C ATOM 167 O ARG A 10 -8.920 8.433 -2.751 1.00 0.00 O ATOM 168 CB ARG A 10 -6.747 10.801 -2.460 1.00 0.00 C ATOM 169 CG ARG A 10 -7.858 11.131 -1.466 1.00 0.00 C ATOM 170 CD ARG A 10 -7.693 10.378 -0.149 1.00 0.00 C ATOM 171 NE ARG A 10 -8.799 10.634 0.775 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.780 10.342 2.048 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.733 9.793 2.582 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.814 10.603 2.785 1.00 0.00 N ATOM 0 H ARG A 10 -5.036 9.940 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.496 8.717 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.790 11.097 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.890 11.400 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.863 12.204 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.824 10.882 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.629 9.308 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.754 10.671 0.320 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.641 11.070 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.916 9.586 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.726 9.568 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.640 11.035 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.802 10.376 3.779 1.00 0.00 H new ATOM 188 N ALA A 11 -8.120 8.944 -4.797 1.00 0.00 N ATOM 189 CA ALA A 11 -9.334 8.520 -5.510 1.00 0.00 C ATOM 190 C ALA A 11 -9.623 7.025 -5.286 1.00 0.00 C ATOM 191 O ALA A 11 -10.678 6.658 -4.760 1.00 0.00 O ATOM 192 CB ALA A 11 -9.202 8.829 -7.001 1.00 0.00 C ATOM 0 H ALA A 11 -7.381 9.299 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.178 9.080 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.106 8.511 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.062 9.901 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.343 8.295 -7.409 1.00 0.00 H new ATOM 198 N GLU A 12 -8.675 6.167 -5.675 1.00 0.00 N ATOM 199 CA GLU A 12 -8.804 4.717 -5.464 1.00 0.00 C ATOM 200 C GLU A 12 -8.916 4.369 -3.970 1.00 0.00 C ATOM 201 O GLU A 12 -9.613 3.426 -3.592 1.00 0.00 O ATOM 202 CB GLU A 12 -7.613 3.958 -6.084 1.00 0.00 C ATOM 203 CG GLU A 12 -7.616 3.906 -7.613 1.00 0.00 C ATOM 204 CD GLU A 12 -7.316 5.244 -8.272 1.00 0.00 C ATOM 205 OE1 GLU A 12 -6.129 5.543 -8.509 1.00 0.00 O ATOM 206 OE2 GLU A 12 -8.264 5.998 -8.566 1.00 0.00 O ATOM 0 H GLU A 12 -7.810 6.448 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.723 4.405 -5.961 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.687 4.428 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.609 2.938 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.879 3.175 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.590 3.554 -7.954 1.00 0.00 H new ATOM 213 N TRP A 13 -8.227 5.135 -3.126 1.00 0.00 N ATOM 214 CA TRP A 13 -8.237 4.899 -1.680 1.00 0.00 C ATOM 215 C TRP A 13 -9.637 5.106 -1.075 1.00 0.00 C ATOM 216 O TRP A 13 -10.124 4.274 -0.304 1.00 0.00 O ATOM 217 CB TRP A 13 -7.216 5.813 -0.990 1.00 0.00 C ATOM 218 CG TRP A 13 -7.194 5.681 0.504 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.251 6.698 1.409 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.127 4.467 1.269 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.210 6.199 2.684 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.138 4.833 2.627 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.058 3.109 0.940 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.082 3.896 3.654 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.003 2.178 1.960 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.018 2.575 3.304 1.00 0.00 C ATOM 0 H TRP A 13 -7.653 5.926 -3.418 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.960 3.858 -1.512 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.222 5.590 -1.379 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.436 6.848 -1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.319 7.746 1.157 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.230 6.756 3.538 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.048 2.794 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.089 4.201 4.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.948 1.127 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.978 1.823 4.079 1.00 0.00 H new ATOM 237 N ASP A 14 -10.285 6.213 -1.420 1.00 0.00 N ATOM 238 CA ASP A 14 -11.634 6.490 -0.924 1.00 0.00 C ATOM 239 C ASP A 14 -12.633 5.478 -1.513 1.00 0.00 C ATOM 240 O ASP A 14 -13.530 4.982 -0.824 1.00 0.00 O ATOM 241 CB ASP A 14 -12.042 7.923 -1.277 1.00 0.00 C ATOM 242 CG ASP A 14 -12.914 8.545 -0.200 1.00 0.00 C ATOM 243 OD1 ASP A 14 -12.357 9.079 0.781 1.00 0.00 O ATOM 244 OD2 ASP A 14 -14.156 8.491 -0.316 1.00 0.00 O ATOM 0 H ASP A 14 -9.904 6.931 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.641 6.388 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.148 8.531 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.580 7.924 -2.225 1.00 0.00 H new ATOM 249 N ALA A 15 -12.446 5.166 -2.795 1.00 0.00 N ATOM 250 CA ALA A 15 -13.237 4.140 -3.476 1.00 0.00 C ATOM 251 C ALA A 15 -13.086 2.774 -2.781 1.00 0.00 C ATOM 252 O ALA A 15 -14.031 1.982 -2.717 1.00 0.00 O ATOM 253 CB ALA A 15 -12.817 4.055 -4.942 1.00 0.00 C ATOM 0 H ALA A 15 -11.747 5.614 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.290 4.418 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.408 3.290 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.983 5.018 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.760 3.796 -5.003 1.00 0.00 H new ATOM 259 N ALA A 16 -11.891 2.510 -2.254 1.00 0.00 N ATOM 260 CA ALA A 16 -11.637 1.300 -1.467 1.00 0.00 C ATOM 261 C ALA A 16 -12.478 1.291 -0.184 1.00 0.00 C ATOM 262 O ALA A 16 -13.056 0.269 0.187 1.00 0.00 O ATOM 263 CB ALA A 16 -10.154 1.188 -1.135 1.00 0.00 C ATOM 0 H ALA A 16 -11.080 3.119 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.928 0.437 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.979 0.285 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.577 1.140 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.843 2.059 -0.558 1.00 0.00 H new ATOM 269 N LYS A 17 -12.552 2.439 0.485 1.00 0.00 N ATOM 270 CA LYS A 17 -13.386 2.582 1.684 1.00 0.00 C ATOM 271 C LYS A 17 -14.869 2.341 1.364 1.00 0.00 C ATOM 272 O LYS A 17 -15.605 1.776 2.175 1.00 0.00 O ATOM 273 CB LYS A 17 -13.213 3.975 2.299 1.00 0.00 C ATOM 274 CG LYS A 17 -11.793 4.277 2.765 1.00 0.00 C ATOM 275 CD LYS A 17 -11.707 5.641 3.442 1.00 0.00 C ATOM 276 CE LYS A 17 -10.287 5.970 3.878 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.227 7.260 4.612 1.00 0.00 N ATOM 0 H LYS A 17 -12.047 3.285 0.221 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.059 1.829 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.510 4.724 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.891 4.073 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.464 3.503 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.115 4.249 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.063 6.410 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.366 5.658 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.906 5.171 4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.639 6.018 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.741 7.970 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.192 7.586 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.705 7.129 5.502 1.00 0.00 H new ATOM 291 N ALA A 18 -15.293 2.769 0.175 1.00 0.00 N ATOM 292 CA ALA A 18 -16.673 2.563 -0.285 1.00 0.00 C ATOM 293 C ALA A 18 -17.052 1.071 -0.316 1.00 0.00 C ATOM 294 O ALA A 18 -18.224 0.712 -0.187 1.00 0.00 O ATOM 295 CB ALA A 18 -16.864 3.187 -1.664 1.00 0.00 C ATOM 0 H ALA A 18 -14.700 3.263 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.336 3.053 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.890 3.029 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.661 4.257 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.178 2.722 -2.372 1.00 0.00 H new ATOM 301 N GLN A 19 -16.053 0.205 -0.498 1.00 0.00 N ATOM 302 CA GLN A 19 -16.263 -1.252 -0.471 1.00 0.00 C ATOM 303 C GLN A 19 -15.648 -1.891 0.790 1.00 0.00 C ATOM 304 O GLN A 19 -15.724 -3.104 0.988 1.00 0.00 O ATOM 305 CB GLN A 19 -15.677 -1.897 -1.738 1.00 0.00 C ATOM 306 CG GLN A 19 -14.210 -1.559 -1.990 1.00 0.00 C ATOM 307 CD GLN A 19 -13.648 -2.241 -3.227 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.067 -3.334 -3.598 1.00 0.00 O ATOM 309 NE2 GLN A 19 -12.695 -1.604 -3.877 1.00 0.00 N ATOM 0 H GLN A 19 -15.086 0.484 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.337 -1.433 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.781 -2.979 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.265 -1.579 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.105 -0.479 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.621 -1.852 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.368 -0.697 -3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.284 -2.018 -4.714 1.00 0.00 H new ATOM 318 N GLY A 20 -15.026 -1.065 1.630 1.00 0.00 N ATOM 319 CA GLY A 20 -14.471 -1.537 2.898 1.00 0.00 C ATOM 320 C GLY A 20 -13.198 -2.375 2.761 1.00 0.00 C ATOM 321 O GLY A 20 -12.620 -2.807 3.760 1.00 0.00 O ATOM 0 H GLY A 20 -14.894 -0.069 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.257 -0.675 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.227 -2.130 3.413 1.00 0.00 H new ATOM 325 N ARG A 21 -12.740 -2.595 1.534 1.00 0.00 N ATOM 326 CA ARG A 21 -11.585 -3.466 1.289 1.00 0.00 C ATOM 327 C ARG A 21 -10.618 -2.848 0.270 1.00 0.00 C ATOM 328 O ARG A 21 -11.012 -2.028 -0.560 1.00 0.00 O ATOM 329 CB ARG A 21 -12.056 -4.836 0.768 1.00 0.00 C ATOM 330 CG ARG A 21 -12.800 -4.754 -0.565 1.00 0.00 C ATOM 331 CD ARG A 21 -13.093 -6.129 -1.158 1.00 0.00 C ATOM 332 NE ARG A 21 -13.750 -6.022 -2.462 1.00 0.00 N ATOM 333 CZ ARG A 21 -13.542 -6.832 -3.467 1.00 0.00 C ATOM 334 NH1 ARG A 21 -12.729 -7.833 -3.360 1.00 0.00 N ATOM 335 NH2 ARG A 21 -14.158 -6.648 -4.588 1.00 0.00 N ATOM 0 H ARG A 21 -13.146 -2.186 0.692 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.060 -3.587 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.192 -5.490 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.707 -5.295 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.738 -4.217 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.207 -4.176 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.163 -6.687 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.728 -6.693 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.417 -5.262 -2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.239 -8.000 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.579 -8.455 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.809 -5.869 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.994 -7.282 -5.370 1.00 0.00 H new ATOM 349 N PHE A 22 -9.354 -3.250 0.339 1.00 0.00 N ATOM 350 CA PHE A 22 -8.363 -2.876 -0.671 1.00 0.00 C ATOM 351 C PHE A 22 -7.633 -4.124 -1.179 1.00 0.00 C ATOM 352 O PHE A 22 -7.642 -5.174 -0.523 1.00 0.00 O ATOM 353 CB PHE A 22 -7.352 -1.859 -0.107 1.00 0.00 C ATOM 354 CG PHE A 22 -6.483 -1.218 -1.169 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.035 -0.312 -2.063 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.128 -1.518 -1.284 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.264 0.281 -3.042 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.354 -0.925 -2.262 1.00 0.00 C ATOM 359 CZ PHE A 22 -4.922 -0.027 -3.143 1.00 0.00 C ATOM 0 H PHE A 22 -8.987 -3.838 1.087 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.886 -2.405 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.894 -1.079 0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.713 -2.359 0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.084 -0.067 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.677 -2.222 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.710 0.985 -3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.304 -1.164 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.318 0.434 -3.910 1.00 0.00 H new ATOM 369 N GLU A 23 -7.006 -3.998 -2.352 1.00 0.00 N ATOM 370 CA GLU A 23 -6.250 -5.094 -2.973 1.00 0.00 C ATOM 371 C GLU A 23 -7.186 -6.167 -3.560 1.00 0.00 C ATOM 372 O GLU A 23 -8.388 -5.940 -3.698 1.00 0.00 O ATOM 373 CB GLU A 23 -5.257 -5.698 -1.970 1.00 0.00 C ATOM 374 CG GLU A 23 -4.332 -4.656 -1.344 1.00 0.00 C ATOM 375 CD GLU A 23 -3.375 -5.225 -0.314 1.00 0.00 C ATOM 376 OE1 GLU A 23 -3.768 -6.152 0.413 1.00 0.00 O ATOM 377 OE2 GLU A 23 -2.227 -4.731 -0.239 1.00 0.00 O ATOM 0 H GLU A 23 -7.007 -3.137 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.680 -4.682 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.811 -6.206 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.655 -6.454 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.756 -4.174 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.938 -3.882 -0.874 1.00 0.00 H new ATOM 384 N GLY A 24 -6.630 -7.321 -3.937 1.00 0.00 N ATOM 385 CA GLY A 24 -7.422 -8.340 -4.629 1.00 0.00 C ATOM 386 C GLY A 24 -7.876 -7.880 -6.015 1.00 0.00 C ATOM 387 O GLY A 24 -8.857 -8.389 -6.568 1.00 0.00 O ATOM 0 H GLY A 24 -5.654 -7.570 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.832 -9.251 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.296 -8.589 -4.027 1.00 0.00 H new ATOM 391 N SER A 25 -7.152 -6.907 -6.570 1.00 0.00 N ATOM 392 CA SER A 25 -7.468 -6.326 -7.886 1.00 0.00 C ATOM 393 C SER A 25 -6.791 -7.105 -9.025 1.00 0.00 C ATOM 394 O SER A 25 -6.112 -8.104 -8.786 1.00 0.00 O ATOM 395 CB SER A 25 -7.026 -4.853 -7.925 1.00 0.00 C ATOM 396 OG SER A 25 -7.218 -4.283 -9.210 1.00 0.00 O ATOM 0 H SER A 25 -6.331 -6.497 -6.125 1.00 0.00 H new ATOM 0 HA SER A 25 -8.546 -6.390 -8.031 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.590 -4.284 -7.186 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.974 -4.781 -7.648 1.00 0.00 H new ATOM 0 HG SER A 25 -8.171 -4.299 -9.436 1.00 0.00 H new ATOM 402 N ALA A 26 -6.965 -6.628 -10.259 1.00 0.00 N ATOM 403 CA ALA A 26 -6.413 -7.290 -11.450 1.00 0.00 C ATOM 404 C ALA A 26 -4.925 -7.657 -11.287 1.00 0.00 C ATOM 405 O ALA A 26 -4.507 -8.748 -11.665 1.00 0.00 O ATOM 406 CB ALA A 26 -6.605 -6.407 -12.677 1.00 0.00 C ATOM 0 H ALA A 26 -7.489 -5.777 -10.464 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.960 -8.224 -11.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.193 -6.907 -13.553 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.668 -6.224 -12.831 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.092 -5.457 -12.526 1.00 0.00 H new ATOM 412 N VAL A 27 -4.136 -6.742 -10.714 1.00 0.00 N ATOM 413 CA VAL A 27 -2.699 -6.981 -10.478 1.00 0.00 C ATOM 414 C VAL A 27 -2.463 -8.245 -9.626 1.00 0.00 C ATOM 415 O VAL A 27 -1.536 -9.015 -9.880 1.00 0.00 O ATOM 416 CB VAL A 27 -2.037 -5.766 -9.774 1.00 0.00 C ATOM 417 CG1 VAL A 27 -0.535 -5.986 -9.584 1.00 0.00 C ATOM 418 CG2 VAL A 27 -2.299 -4.483 -10.559 1.00 0.00 C ATOM 0 H VAL A 27 -4.464 -5.827 -10.403 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.243 -7.126 -11.457 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.486 -5.665 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.100 -5.118 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.372 -6.873 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.062 -6.124 -10.556 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.827 -3.642 -10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.884 -4.579 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.373 -4.310 -10.626 1.00 0.00 H new ATOM 428 N ASP A 28 -3.316 -8.447 -8.622 1.00 0.00 N ATOM 429 CA ASP A 28 -3.233 -9.621 -7.744 1.00 0.00 C ATOM 430 C ASP A 28 -3.566 -10.914 -8.514 1.00 0.00 C ATOM 431 O ASP A 28 -2.805 -11.883 -8.483 1.00 0.00 O ATOM 432 CB ASP A 28 -4.183 -9.427 -6.551 1.00 0.00 C ATOM 433 CG ASP A 28 -4.379 -10.688 -5.723 1.00 0.00 C ATOM 434 OD1 ASP A 28 -3.494 -11.022 -4.913 1.00 0.00 O ATOM 435 OD2 ASP A 28 -5.435 -11.338 -5.869 1.00 0.00 O ATOM 0 H ASP A 28 -4.079 -7.810 -8.393 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.212 -9.721 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.792 -8.637 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.152 -9.089 -6.919 1.00 0.00 H new ATOM 440 N LEU A 29 -4.696 -10.911 -9.221 1.00 0.00 N ATOM 441 CA LEU A 29 -5.114 -12.068 -10.024 1.00 0.00 C ATOM 442 C LEU A 29 -4.151 -12.324 -11.197 1.00 0.00 C ATOM 443 O LEU A 29 -4.014 -13.457 -11.666 1.00 0.00 O ATOM 444 CB LEU A 29 -6.547 -11.880 -10.557 1.00 0.00 C ATOM 445 CG LEU A 29 -7.678 -11.970 -9.511 1.00 0.00 C ATOM 446 CD1 LEU A 29 -7.586 -13.271 -8.718 1.00 0.00 C ATOM 447 CD2 LEU A 29 -7.670 -10.765 -8.576 1.00 0.00 C ATOM 0 H LEU A 29 -5.341 -10.122 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.091 -12.938 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.607 -10.907 -11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.729 -12.632 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.625 -11.965 -10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.394 -13.310 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.671 -14.118 -9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.627 -13.315 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.479 -10.861 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.716 -10.719 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.809 -9.853 -9.157 1.00 0.00 H new ATOM 459 N ALA A 30 -3.490 -11.269 -11.666 1.00 0.00 N ATOM 460 CA ALA A 30 -2.552 -11.369 -12.788 1.00 0.00 C ATOM 461 C ALA A 30 -1.206 -11.965 -12.361 1.00 0.00 C ATOM 462 O ALA A 30 -0.751 -12.969 -12.913 1.00 0.00 O ATOM 463 CB ALA A 30 -2.338 -9.993 -13.412 1.00 0.00 C ATOM 0 H ALA A 30 -3.586 -10.328 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.991 -12.043 -13.524 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.640 -10.076 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.290 -9.606 -13.774 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.931 -9.313 -12.663 1.00 0.00 H new ATOM 469 N ASP A 31 -0.574 -11.345 -11.372 1.00 0.00 N ATOM 470 CA ASP A 31 0.769 -11.744 -10.943 1.00 0.00 C ATOM 471 C ASP A 31 0.741 -12.973 -10.012 1.00 0.00 C ATOM 472 O ASP A 31 1.687 -13.764 -9.984 1.00 0.00 O ATOM 473 CB ASP A 31 1.455 -10.564 -10.250 1.00 0.00 C ATOM 474 CG ASP A 31 2.929 -10.816 -9.989 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.730 -10.714 -10.935 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.296 -11.111 -8.832 1.00 0.00 O ATOM 0 H ASP A 31 -0.967 -10.563 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 31 1.334 -12.030 -11.830 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.347 -9.672 -10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.952 -10.361 -9.305 1.00 0.00 H new ATOM 481 N GLY A 32 -0.343 -13.128 -9.254 1.00 0.00 N ATOM 482 CA GLY A 32 -0.471 -14.265 -8.341 1.00 0.00 C ATOM 483 C GLY A 32 -0.586 -13.845 -6.880 1.00 0.00 C ATOM 484 O GLY A 32 -1.177 -14.553 -6.066 1.00 0.00 O ATOM 0 H GLY A 32 -1.138 -12.489 -9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.350 -14.848 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.394 -14.918 -8.459 1.00 0.00 H new ATOM 488 N PHE A 33 -0.017 -12.688 -6.554 1.00 0.00 N ATOM 489 CA PHE A 33 -0.055 -12.159 -5.189 1.00 0.00 C ATOM 490 C PHE A 33 0.018 -10.626 -5.175 1.00 0.00 C ATOM 491 O PHE A 33 0.366 -9.993 -6.176 1.00 0.00 O ATOM 492 CB PHE A 33 1.089 -12.751 -4.349 1.00 0.00 C ATOM 493 CG PHE A 33 2.443 -12.689 -5.019 1.00 0.00 C ATOM 494 CD1 PHE A 33 3.128 -11.488 -5.137 1.00 0.00 C ATOM 495 CD2 PHE A 33 3.031 -13.841 -5.527 1.00 0.00 C ATOM 496 CE1 PHE A 33 4.364 -11.437 -5.750 1.00 0.00 C ATOM 497 CE2 PHE A 33 4.269 -13.794 -6.140 1.00 0.00 C ATOM 498 CZ PHE A 33 4.936 -12.591 -6.251 1.00 0.00 C ATOM 0 H PHE A 33 0.479 -12.094 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.008 -12.454 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.141 -12.219 -3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.856 -13.791 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.689 -10.583 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.514 -14.785 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.884 -10.495 -5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.713 -14.697 -6.531 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.904 -12.551 -6.729 1.00 0.00 H new ATOM 508 N ILE A 34 -0.286 -10.039 -4.025 1.00 0.00 N ATOM 509 CA ILE A 34 -0.293 -8.585 -3.868 1.00 0.00 C ATOM 510 C ILE A 34 1.127 -8.025 -3.664 1.00 0.00 C ATOM 511 O ILE A 34 2.002 -8.694 -3.105 1.00 0.00 O ATOM 512 CB ILE A 34 -1.180 -8.173 -2.673 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.570 -8.816 -2.803 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.293 -6.652 -2.593 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.469 -8.571 -1.614 1.00 0.00 C ATOM 0 H ILE A 34 -0.534 -10.551 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.699 -8.166 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.718 -8.528 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.056 -8.431 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.451 -9.891 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.921 -6.378 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.301 -6.220 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.738 -6.271 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.431 -9.055 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.006 -8.982 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.620 -7.499 -1.486 1.00 0.00 H new ATOM 527 N HIS A 35 1.349 -6.790 -4.123 1.00 0.00 N ATOM 528 CA HIS A 35 2.670 -6.152 -4.045 1.00 0.00 C ATOM 529 C HIS A 35 2.682 -4.969 -3.060 1.00 0.00 C ATOM 530 O HIS A 35 1.911 -4.015 -3.209 1.00 0.00 O ATOM 531 CB HIS A 35 3.095 -5.657 -5.437 1.00 0.00 C ATOM 532 CG HIS A 35 3.299 -6.752 -6.441 1.00 0.00 C ATOM 533 ND1 HIS A 35 4.343 -6.761 -7.338 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.583 -7.873 -6.697 1.00 0.00 C ATOM 535 CE1 HIS A 35 4.262 -7.834 -8.096 1.00 0.00 C ATOM 536 NE2 HIS A 35 3.205 -8.524 -7.727 1.00 0.00 N ATOM 0 H HIS A 35 0.630 -6.209 -4.554 1.00 0.00 H new ATOM 0 HA HIS A 35 3.373 -6.902 -3.681 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.337 -4.970 -5.814 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.020 -5.089 -5.342 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.068 -6.046 -7.405 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.688 -8.193 -6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.947 -8.102 -8.887 1.00 0.00 H new ATOM 545 N LEU A 36 3.546 -5.048 -2.046 1.00 0.00 N ATOM 546 CA LEU A 36 3.803 -3.917 -1.139 1.00 0.00 C ATOM 547 C LEU A 36 5.285 -3.508 -1.212 1.00 0.00 C ATOM 548 O LEU A 36 6.042 -4.046 -2.022 1.00 0.00 O ATOM 549 CB LEU A 36 3.413 -4.262 0.311 1.00 0.00 C ATOM 550 CG LEU A 36 1.905 -4.474 0.565 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.441 -5.831 0.043 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.578 -4.321 2.048 1.00 0.00 C ATOM 0 H LEU A 36 4.084 -5.886 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 36 3.185 -3.078 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.943 -5.168 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.764 -3.462 0.963 1.00 0.00 H new ATOM 0 HG LEU A 36 1.363 -3.704 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.375 -5.950 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.624 -5.890 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.993 -6.623 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.510 -4.475 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.138 -5.059 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.852 -3.320 2.380 1.00 0.00 H new ATOM 564 N SER A 37 5.706 -2.555 -0.379 1.00 0.00 N ATOM 565 CA SER A 37 7.098 -2.071 -0.414 1.00 0.00 C ATOM 566 C SER A 37 7.618 -1.666 0.973 1.00 0.00 C ATOM 567 O SER A 37 6.846 -1.306 1.864 1.00 0.00 O ATOM 568 CB SER A 37 7.220 -0.881 -1.381 1.00 0.00 C ATOM 569 OG SER A 37 6.937 -1.269 -2.720 1.00 0.00 O ATOM 0 H SER A 37 5.117 -2.105 0.321 1.00 0.00 H new ATOM 0 HA SER A 37 7.714 -2.900 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.533 -0.091 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.227 -0.467 -1.326 1.00 0.00 H new ATOM 0 HG SER A 37 7.021 -0.491 -3.311 1.00 0.00 H new ATOM 575 N ALA A 38 8.937 -1.748 1.153 1.00 0.00 N ATOM 576 CA ALA A 38 9.588 -1.289 2.385 1.00 0.00 C ATOM 577 C ALA A 38 9.969 0.198 2.281 1.00 0.00 C ATOM 578 O ALA A 38 9.526 0.893 1.367 1.00 0.00 O ATOM 579 CB ALA A 38 10.816 -2.148 2.678 1.00 0.00 C ATOM 0 H ALA A 38 9.580 -2.130 0.459 1.00 0.00 H new ATOM 0 HA ALA A 38 8.885 -1.394 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.293 -1.800 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.512 -3.188 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.521 -2.070 1.850 1.00 0.00 H new ATOM 585 N GLY A 39 10.800 0.676 3.207 1.00 0.00 N ATOM 586 CA GLY A 39 11.158 2.094 3.253 1.00 0.00 C ATOM 587 C GLY A 39 11.773 2.626 1.958 1.00 0.00 C ATOM 588 O GLY A 39 11.148 3.415 1.241 1.00 0.00 O ATOM 0 H GLY A 39 11.236 0.106 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.266 2.675 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.863 2.253 4.069 1.00 0.00 H new ATOM 592 N GLU A 40 12.997 2.197 1.654 1.00 0.00 N ATOM 593 CA GLU A 40 13.712 2.680 0.464 1.00 0.00 C ATOM 594 C GLU A 40 12.967 2.311 -0.834 1.00 0.00 C ATOM 595 O GLU A 40 12.910 3.102 -1.779 1.00 0.00 O ATOM 596 CB GLU A 40 15.156 2.134 0.431 1.00 0.00 C ATOM 597 CG GLU A 40 15.282 0.629 0.175 1.00 0.00 C ATOM 598 CD GLU A 40 14.627 -0.226 1.250 1.00 0.00 C ATOM 599 OE1 GLU A 40 15.168 -0.302 2.371 1.00 0.00 O ATOM 600 OE2 GLU A 40 13.564 -0.824 0.978 1.00 0.00 O ATOM 0 H GLU A 40 13.517 1.518 2.210 1.00 0.00 H new ATOM 0 HA GLU A 40 13.753 3.767 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.710 2.665 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.636 2.365 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.832 0.394 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.338 0.367 0.107 1.00 0.00 H new ATOM 607 N GLN A 41 12.385 1.114 -0.860 1.00 0.00 N ATOM 608 CA GLN A 41 11.623 0.637 -2.021 1.00 0.00 C ATOM 609 C GLN A 41 10.416 1.540 -2.311 1.00 0.00 C ATOM 610 O GLN A 41 10.167 1.908 -3.457 1.00 0.00 O ATOM 611 CB GLN A 41 11.133 -0.792 -1.773 1.00 0.00 C ATOM 612 CG GLN A 41 10.525 -1.470 -2.997 1.00 0.00 C ATOM 613 CD GLN A 41 11.565 -1.847 -4.037 1.00 0.00 C ATOM 614 OE1 GLN A 41 11.879 -1.073 -4.932 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.113 -3.039 -3.920 1.00 0.00 N ATOM 0 H GLN A 41 12.425 0.450 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 41 12.287 0.660 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.969 -1.394 -1.417 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.390 -0.775 -0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.991 -2.366 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.791 -0.803 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.828 -3.659 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.822 -3.342 -4.587 1.00 0.00 H new ATOM 624 N ALA A 42 9.666 1.884 -1.266 1.00 0.00 N ATOM 625 CA ALA A 42 8.469 2.719 -1.410 1.00 0.00 C ATOM 626 C ALA A 42 8.809 4.109 -1.961 1.00 0.00 C ATOM 627 O ALA A 42 8.110 4.627 -2.832 1.00 0.00 O ATOM 628 CB ALA A 42 7.750 2.840 -0.072 1.00 0.00 C ATOM 0 H ALA A 42 9.864 1.598 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 42 7.809 2.234 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.863 3.462 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.455 1.849 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.417 3.295 0.660 1.00 0.00 H new ATOM 634 N GLN A 43 9.890 4.702 -1.456 1.00 0.00 N ATOM 635 CA GLN A 43 10.333 6.028 -1.907 1.00 0.00 C ATOM 636 C GLN A 43 10.652 6.036 -3.417 1.00 0.00 C ATOM 637 O GLN A 43 10.191 6.909 -4.160 1.00 0.00 O ATOM 638 CB GLN A 43 11.565 6.474 -1.099 1.00 0.00 C ATOM 639 CG GLN A 43 12.104 7.852 -1.484 1.00 0.00 C ATOM 640 CD GLN A 43 11.071 8.959 -1.324 1.00 0.00 C ATOM 641 OE1 GLN A 43 10.951 9.568 -0.266 1.00 0.00 O ATOM 642 NE2 GLN A 43 10.319 9.231 -2.374 1.00 0.00 N ATOM 0 H GLN A 43 10.478 4.287 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 43 9.517 6.731 -1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.308 6.480 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.357 5.737 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.973 8.082 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.445 7.827 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.443 8.706 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.614 9.966 -2.320 1.00 0.00 H new ATOM 651 N GLU A 44 11.433 5.055 -3.866 1.00 0.00 N ATOM 652 CA GLU A 44 11.824 4.960 -5.279 1.00 0.00 C ATOM 653 C GLU A 44 10.657 4.503 -6.172 1.00 0.00 C ATOM 654 O GLU A 44 10.467 5.028 -7.273 1.00 0.00 O ATOM 655 CB GLU A 44 13.031 4.026 -5.431 1.00 0.00 C ATOM 656 CG GLU A 44 14.313 4.606 -4.836 1.00 0.00 C ATOM 657 CD GLU A 44 15.521 3.694 -4.979 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.596 2.931 -5.967 1.00 0.00 O ATOM 659 OE2 GLU A 44 16.421 3.756 -4.114 1.00 0.00 O ATOM 0 H GLU A 44 11.809 4.313 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 44 12.106 5.958 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.810 3.075 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.190 3.816 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.529 5.559 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.150 4.815 -3.779 1.00 0.00 H new ATOM 666 N THR A 45 9.874 3.530 -5.702 1.00 0.00 N ATOM 667 CA THR A 45 8.672 3.093 -6.437 1.00 0.00 C ATOM 668 C THR A 45 7.686 4.255 -6.625 1.00 0.00 C ATOM 669 O THR A 45 7.107 4.428 -7.699 1.00 0.00 O ATOM 670 CB THR A 45 7.939 1.929 -5.724 1.00 0.00 C ATOM 671 OG1 THR A 45 8.826 0.810 -5.570 1.00 0.00 O ATOM 672 CG2 THR A 45 6.699 1.494 -6.506 1.00 0.00 C ATOM 0 H THR A 45 10.042 3.032 -4.828 1.00 0.00 H new ATOM 0 HA THR A 45 9.021 2.742 -7.408 1.00 0.00 H new ATOM 0 HB THR A 45 7.622 2.283 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.431 0.974 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.206 0.676 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.011 2.335 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.995 1.161 -7.501 1.00 0.00 H new ATOM 680 N ALA A 46 7.507 5.055 -5.575 1.00 0.00 N ATOM 681 CA ALA A 46 6.644 6.239 -5.640 1.00 0.00 C ATOM 682 C ALA A 46 7.123 7.212 -6.727 1.00 0.00 C ATOM 683 O ALA A 46 6.320 7.757 -7.480 1.00 0.00 O ATOM 684 CB ALA A 46 6.597 6.940 -4.285 1.00 0.00 C ATOM 0 H ALA A 46 7.948 4.907 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 46 5.638 5.909 -5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.952 7.816 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.203 6.255 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.603 7.250 -4.001 1.00 0.00 H new ATOM 690 N ALA A 47 8.440 7.413 -6.805 1.00 0.00 N ATOM 691 CA ALA A 47 9.042 8.274 -7.832 1.00 0.00 C ATOM 692 C ALA A 47 8.697 7.807 -9.257 1.00 0.00 C ATOM 693 O ALA A 47 8.562 8.616 -10.173 1.00 0.00 O ATOM 694 CB ALA A 47 10.555 8.324 -7.648 1.00 0.00 C ATOM 0 H ALA A 47 9.115 6.990 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 47 8.624 9.273 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.994 8.964 -8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.789 8.725 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.966 7.318 -7.737 1.00 0.00 H new ATOM 700 N LYS A 48 8.563 6.497 -9.439 1.00 0.00 N ATOM 701 CA LYS A 48 8.208 5.920 -10.736 1.00 0.00 C ATOM 702 C LYS A 48 6.688 5.958 -10.990 1.00 0.00 C ATOM 703 O LYS A 48 6.214 6.617 -11.919 1.00 0.00 O ATOM 704 CB LYS A 48 8.704 4.470 -10.799 1.00 0.00 C ATOM 705 CG LYS A 48 10.213 4.326 -10.967 1.00 0.00 C ATOM 706 CD LYS A 48 10.660 2.870 -10.863 1.00 0.00 C ATOM 707 CE LYS A 48 12.133 2.707 -11.217 1.00 0.00 C ATOM 708 NZ LYS A 48 13.008 3.592 -10.402 1.00 0.00 N ATOM 0 H LYS A 48 8.696 5.808 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 48 8.686 6.519 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.402 3.956 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.209 3.965 -11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.511 4.729 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.721 4.917 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.487 2.507 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.055 2.255 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.428 1.669 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.278 2.930 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.003 3.330 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.863 4.582 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.770 3.484 -9.395 1.00 0.00 H new ATOM 722 N TRP A 49 5.939 5.247 -10.153 1.00 0.00 N ATOM 723 CA TRP A 49 4.498 5.043 -10.356 1.00 0.00 C ATOM 724 C TRP A 49 3.674 6.303 -10.033 1.00 0.00 C ATOM 725 O TRP A 49 2.723 6.642 -10.741 1.00 0.00 O ATOM 726 CB TRP A 49 4.020 3.864 -9.491 1.00 0.00 C ATOM 727 CG TRP A 49 4.640 2.548 -9.873 1.00 0.00 C ATOM 728 CD1 TRP A 49 5.965 2.296 -10.087 1.00 0.00 C ATOM 729 CD2 TRP A 49 3.959 1.303 -10.071 1.00 0.00 C ATOM 730 NE1 TRP A 49 6.148 0.981 -10.422 1.00 0.00 N ATOM 731 CE2 TRP A 49 4.933 0.346 -10.417 1.00 0.00 C ATOM 732 CE3 TRP A 49 2.620 0.906 -9.995 1.00 0.00 C ATOM 733 CZ2 TRP A 49 4.609 -0.982 -10.685 1.00 0.00 C ATOM 734 CZ3 TRP A 49 2.300 -0.412 -10.260 1.00 0.00 C ATOM 735 CH2 TRP A 49 3.291 -1.343 -10.602 1.00 0.00 C ATOM 0 H TRP A 49 6.307 4.795 -9.316 1.00 0.00 H new ATOM 0 HA TRP A 49 4.342 4.822 -11.412 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.249 4.074 -8.446 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.936 3.782 -9.570 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.755 3.028 -10.004 1.00 0.00 H new ATOM 0 HE1 TRP A 49 7.044 0.544 -10.640 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.850 1.617 -9.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.370 -1.701 -10.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.270 -0.730 -10.203 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.009 -2.366 -10.804 1.00 0.00 H new ATOM 746 N PHE A 50 4.051 7.000 -8.967 1.00 0.00 N ATOM 747 CA PHE A 50 3.297 8.166 -8.489 1.00 0.00 C ATOM 748 C PHE A 50 4.149 9.442 -8.573 1.00 0.00 C ATOM 749 O PHE A 50 4.013 10.354 -7.755 1.00 0.00 O ATOM 750 CB PHE A 50 2.837 7.912 -7.050 1.00 0.00 C ATOM 751 CG PHE A 50 2.014 6.654 -6.908 1.00 0.00 C ATOM 752 CD1 PHE A 50 0.666 6.651 -7.241 1.00 0.00 C ATOM 753 CD2 PHE A 50 2.589 5.476 -6.452 1.00 0.00 C ATOM 754 CE1 PHE A 50 -0.087 5.499 -7.125 1.00 0.00 C ATOM 755 CE2 PHE A 50 1.840 4.322 -6.337 1.00 0.00 C ATOM 756 CZ PHE A 50 0.499 4.335 -6.669 1.00 0.00 C ATOM 0 H PHE A 50 4.878 6.781 -8.411 1.00 0.00 H new ATOM 0 HA PHE A 50 2.424 8.313 -9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.711 7.843 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.251 8.764 -6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.201 7.559 -7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.635 5.462 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.134 5.509 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.302 3.410 -5.988 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.090 3.435 -6.572 1.00 0.00 H new ATOM 766 N ARG A 51 4.991 9.490 -9.607 1.00 0.00 N ATOM 767 CA ARG A 51 5.957 10.582 -9.843 1.00 0.00 C ATOM 768 C ARG A 51 5.445 11.980 -9.447 1.00 0.00 C ATOM 769 O ARG A 51 6.109 12.705 -8.706 1.00 0.00 O ATOM 770 CB ARG A 51 6.371 10.575 -11.325 1.00 0.00 C ATOM 771 CG ARG A 51 5.187 10.514 -12.287 1.00 0.00 C ATOM 772 CD ARG A 51 5.625 10.496 -13.748 1.00 0.00 C ATOM 773 NE ARG A 51 6.301 11.732 -14.141 1.00 0.00 N ATOM 774 CZ ARG A 51 6.023 12.407 -15.225 1.00 0.00 C ATOM 775 NH1 ARG A 51 5.043 12.046 -15.988 1.00 0.00 N ATOM 776 NH2 ARG A 51 6.710 13.459 -15.531 1.00 0.00 N ATOM 0 H ARG A 51 5.027 8.762 -10.320 1.00 0.00 H new ATOM 0 HA ARG A 51 6.810 10.387 -9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.954 11.471 -11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.022 9.720 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.597 9.622 -12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.538 11.373 -12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.293 9.651 -13.914 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.753 10.343 -14.384 1.00 0.00 H new ATOM 0 HE ARG A 51 7.036 12.090 -13.531 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.481 11.230 -15.745 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.832 12.578 -16.833 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.472 13.765 -14.925 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.490 13.983 -16.378 1.00 0.00 H new ATOM 790 N GLY A 52 4.281 12.356 -9.948 1.00 0.00 N ATOM 791 CA GLY A 52 3.750 13.693 -9.689 1.00 0.00 C ATOM 792 C GLY A 52 2.236 13.781 -9.822 1.00 0.00 C ATOM 793 O GLY A 52 1.712 14.701 -10.453 1.00 0.00 O ATOM 0 H GLY A 52 3.687 11.766 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.037 14.001 -8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.209 14.398 -10.382 1.00 0.00 H new ATOM 797 N GLN A 53 1.530 12.832 -9.214 1.00 0.00 N ATOM 798 CA GLN A 53 0.063 12.816 -9.255 1.00 0.00 C ATOM 799 C GLN A 53 -0.526 13.657 -8.113 1.00 0.00 C ATOM 800 O GLN A 53 0.139 13.906 -7.108 1.00 0.00 O ATOM 801 CB GLN A 53 -0.463 11.377 -9.163 1.00 0.00 C ATOM 802 CG GLN A 53 0.116 10.437 -10.213 1.00 0.00 C ATOM 803 CD GLN A 53 -0.558 9.073 -10.214 1.00 0.00 C ATOM 804 OE1 GLN A 53 -1.741 8.951 -9.919 1.00 0.00 O ATOM 805 NE2 GLN A 53 0.189 8.036 -10.542 1.00 0.00 N ATOM 0 H GLN A 53 1.945 12.064 -8.687 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.249 13.249 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.238 10.981 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.548 11.391 -9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.011 10.891 -11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.183 10.310 -10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.171 8.171 -10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.216 7.100 -10.555 1.00 0.00 H new ATOM 814 N ALA A 54 -1.774 14.094 -8.269 1.00 0.00 N ATOM 815 CA ALA A 54 -2.430 14.914 -7.246 1.00 0.00 C ATOM 816 C ALA A 54 -3.104 14.058 -6.165 1.00 0.00 C ATOM 817 O ALA A 54 -3.877 13.146 -6.475 1.00 0.00 O ATOM 818 CB ALA A 54 -3.451 15.848 -7.885 1.00 0.00 C ATOM 0 H ALA A 54 -2.350 13.897 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.653 15.506 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.928 16.449 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.949 16.504 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.207 15.260 -8.405 1.00 0.00 H new ATOM 824 N ASN A 55 -2.796 14.372 -4.903 1.00 0.00 N ATOM 825 CA ASN A 55 -3.418 13.730 -3.738 1.00 0.00 C ATOM 826 C ASN A 55 -3.016 12.250 -3.618 1.00 0.00 C ATOM 827 O ASN A 55 -3.726 11.353 -4.083 1.00 0.00 O ATOM 828 CB ASN A 55 -4.946 13.881 -3.790 1.00 0.00 C ATOM 829 CG ASN A 55 -5.387 15.335 -3.799 1.00 0.00 C ATOM 830 OD1 ASN A 55 -4.674 16.221 -4.260 1.00 0.00 O ATOM 831 ND2 ASN A 55 -6.576 15.590 -3.301 1.00 0.00 N ATOM 0 H ASN A 55 -2.105 15.082 -4.658 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.050 14.238 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.327 13.384 -4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.387 13.376 -2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.930 16.547 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.145 14.831 -2.925 1.00 0.00 H new ATOM 838 N LEU A 56 -1.864 12.005 -2.993 1.00 0.00 N ATOM 839 CA LEU A 56 -1.325 10.647 -2.847 1.00 0.00 C ATOM 840 C LEU A 56 -1.330 10.194 -1.382 1.00 0.00 C ATOM 841 O LEU A 56 -0.848 10.901 -0.498 1.00 0.00 O ATOM 842 CB LEU A 56 0.101 10.588 -3.407 1.00 0.00 C ATOM 843 CG LEU A 56 0.215 10.847 -4.917 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.678 10.894 -5.353 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.555 9.782 -5.696 1.00 0.00 C ATOM 0 H LEU A 56 -1.281 12.732 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.967 9.969 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.713 11.320 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.521 9.606 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.227 11.819 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.732 11.079 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.191 11.695 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.157 9.942 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.466 9.977 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.143 8.798 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.606 9.810 -5.408 1.00 0.00 H new ATOM 857 N VAL A 57 -1.870 9.005 -1.136 1.00 0.00 N ATOM 858 CA VAL A 57 -1.946 8.449 0.217 1.00 0.00 C ATOM 859 C VAL A 57 -0.869 7.377 0.445 1.00 0.00 C ATOM 860 O VAL A 57 -0.688 6.474 -0.373 1.00 0.00 O ATOM 861 CB VAL A 57 -3.344 7.832 0.490 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.433 7.276 1.912 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.445 8.861 0.242 1.00 0.00 C ATOM 0 H VAL A 57 -2.264 8.402 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.776 9.274 0.908 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.486 7.003 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.423 6.850 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.678 6.501 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.261 8.079 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.417 8.409 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.301 9.715 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.404 9.195 -0.795 1.00 0.00 H new ATOM 873 N LEU A 58 -0.146 7.498 1.551 1.00 0.00 N ATOM 874 CA LEU A 58 0.845 6.496 1.952 1.00 0.00 C ATOM 875 C LEU A 58 0.264 5.556 3.022 1.00 0.00 C ATOM 876 O LEU A 58 0.118 5.934 4.189 1.00 0.00 O ATOM 877 CB LEU A 58 2.111 7.192 2.479 1.00 0.00 C ATOM 878 CG LEU A 58 3.185 6.265 3.074 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.718 5.299 2.019 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.319 7.081 3.692 1.00 0.00 C ATOM 0 H LEU A 58 -0.225 8.286 2.194 1.00 0.00 H new ATOM 0 HA LEU A 58 1.108 5.897 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.558 7.758 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.816 7.912 3.242 1.00 0.00 H new ATOM 0 HG LEU A 58 2.723 5.673 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.476 4.655 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.900 4.687 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.160 5.864 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.068 6.407 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.778 7.705 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.921 7.714 4.485 1.00 0.00 H new ATOM 892 N LEU A 59 -0.090 4.342 2.612 1.00 0.00 N ATOM 893 CA LEU A 59 -0.634 3.343 3.535 1.00 0.00 C ATOM 894 C LEU A 59 0.470 2.721 4.400 1.00 0.00 C ATOM 895 O LEU A 59 1.320 1.976 3.908 1.00 0.00 O ATOM 896 CB LEU A 59 -1.379 2.239 2.769 1.00 0.00 C ATOM 897 CG LEU A 59 -2.596 2.705 1.957 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.284 1.520 1.281 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.577 3.470 2.843 1.00 0.00 C ATOM 0 H LEU A 59 -0.011 4.023 1.646 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.338 3.856 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.677 1.753 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.708 1.484 3.483 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.245 3.381 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.143 1.875 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.582 1.027 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.618 0.812 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.432 3.791 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.920 2.822 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.081 4.344 3.265 1.00 0.00 H new ATOM 911 N ALA A 60 0.458 3.052 5.685 1.00 0.00 N ATOM 912 CA ALA A 60 1.383 2.465 6.651 1.00 0.00 C ATOM 913 C ALA A 60 0.683 1.369 7.464 1.00 0.00 C ATOM 914 O ALA A 60 -0.278 1.639 8.184 1.00 0.00 O ATOM 915 CB ALA A 60 1.935 3.547 7.574 1.00 0.00 C ATOM 0 H ALA A 60 -0.189 3.731 6.087 1.00 0.00 H new ATOM 0 HA ALA A 60 2.214 2.012 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.623 3.098 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.463 4.295 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.113 4.022 8.110 1.00 0.00 H new ATOM 921 N VAL A 61 1.146 0.130 7.317 1.00 0.00 N ATOM 922 CA VAL A 61 0.594 -1.006 8.067 1.00 0.00 C ATOM 923 C VAL A 61 1.709 -1.759 8.807 1.00 0.00 C ATOM 924 O VAL A 61 2.744 -2.069 8.224 1.00 0.00 O ATOM 925 CB VAL A 61 -0.150 -1.996 7.129 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.769 -3.145 7.927 1.00 0.00 C ATOM 927 CG2 VAL A 61 -1.214 -1.270 6.305 1.00 0.00 C ATOM 0 H VAL A 61 1.906 -0.118 6.683 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.116 -0.602 8.788 1.00 0.00 H new ATOM 0 HB VAL A 61 0.580 -2.420 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.284 -3.824 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.016 -3.686 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.481 -2.745 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.721 -1.984 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.940 -0.808 6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.740 -0.500 5.697 1.00 0.00 H new ATOM 937 N GLU A 62 1.509 -2.047 10.089 1.00 0.00 N ATOM 938 CA GLU A 62 2.524 -2.765 10.865 1.00 0.00 C ATOM 939 C GLU A 62 2.296 -4.288 10.843 1.00 0.00 C ATOM 940 O GLU A 62 1.397 -4.809 11.509 1.00 0.00 O ATOM 941 CB GLU A 62 2.573 -2.245 12.308 1.00 0.00 C ATOM 942 CG GLU A 62 3.678 -2.882 13.141 1.00 0.00 C ATOM 943 CD GLU A 62 4.087 -2.032 14.331 1.00 0.00 C ATOM 944 OE1 GLU A 62 4.887 -1.092 14.142 1.00 0.00 O ATOM 945 OE2 GLU A 62 3.639 -2.315 15.458 1.00 0.00 O ATOM 0 H GLU A 62 0.668 -1.800 10.610 1.00 0.00 H new ATOM 0 HA GLU A 62 3.488 -2.574 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.716 -1.165 12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.612 -2.433 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.343 -3.857 13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.549 -3.055 12.509 1.00 0.00 H new ATOM 952 N ALA A 63 3.125 -4.993 10.073 1.00 0.00 N ATOM 953 CA ALA A 63 3.032 -6.452 9.952 1.00 0.00 C ATOM 954 C ALA A 63 3.847 -7.159 11.046 1.00 0.00 C ATOM 955 O ALA A 63 5.015 -7.500 10.846 1.00 0.00 O ATOM 956 CB ALA A 63 3.494 -6.898 8.568 1.00 0.00 C ATOM 0 H ALA A 63 3.874 -4.576 9.520 1.00 0.00 H new ATOM 0 HA ALA A 63 1.987 -6.734 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.420 -7.983 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.863 -6.437 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.529 -6.593 8.414 1.00 0.00 H new ATOM 962 N GLU A 64 3.240 -7.336 12.220 1.00 0.00 N ATOM 963 CA GLU A 64 3.902 -8.029 13.337 1.00 0.00 C ATOM 964 C GLU A 64 3.841 -9.568 13.204 1.00 0.00 C ATOM 965 O GLU A 64 4.849 -10.237 13.436 1.00 0.00 O ATOM 966 CB GLU A 64 3.312 -7.586 14.684 1.00 0.00 C ATOM 967 CG GLU A 64 3.485 -6.097 14.968 1.00 0.00 C ATOM 968 CD GLU A 64 3.118 -5.724 16.395 1.00 0.00 C ATOM 969 OE1 GLU A 64 1.916 -5.527 16.678 1.00 0.00 O ATOM 970 OE2 GLU A 64 4.034 -5.633 17.242 1.00 0.00 O ATOM 0 H GLU A 64 2.295 -7.012 12.426 1.00 0.00 H new ATOM 0 HA GLU A 64 4.954 -7.745 13.298 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.250 -7.830 14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.785 -8.157 15.483 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.520 -5.813 14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.866 -5.525 14.277 1.00 0.00 H new ATOM 977 N PRO A 65 2.673 -10.167 12.847 1.00 0.00 N ATOM 978 CA PRO A 65 2.576 -11.625 12.647 1.00 0.00 C ATOM 979 C PRO A 65 3.622 -12.148 11.646 1.00 0.00 C ATOM 980 O PRO A 65 4.475 -12.970 11.996 1.00 0.00 O ATOM 981 CB PRO A 65 1.143 -11.836 12.117 1.00 0.00 C ATOM 982 CG PRO A 65 0.657 -10.477 11.728 1.00 0.00 C ATOM 983 CD PRO A 65 1.372 -9.508 12.629 1.00 0.00 C ATOM 0 HA PRO A 65 2.773 -12.174 13.568 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.136 -12.514 11.264 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.503 -12.278 12.881 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.875 -10.270 10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.423 -10.399 11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.487 -8.530 12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.835 -9.353 13.565 1.00 0.00 H new ATOM 991 N LEU A 66 3.540 -11.680 10.397 1.00 0.00 N ATOM 992 CA LEU A 66 4.556 -11.967 9.376 1.00 0.00 C ATOM 993 C LEU A 66 4.748 -13.484 9.162 1.00 0.00 C ATOM 994 O LEU A 66 5.785 -13.934 8.669 1.00 0.00 O ATOM 995 CB LEU A 66 5.886 -11.296 9.770 1.00 0.00 C ATOM 996 CG LEU A 66 6.938 -11.212 8.654 1.00 0.00 C ATOM 997 CD1 LEU A 66 6.367 -10.484 7.444 1.00 0.00 C ATOM 998 CD2 LEU A 66 8.206 -10.521 9.156 1.00 0.00 C ATOM 0 H LEU A 66 2.773 -11.095 10.065 1.00 0.00 H new ATOM 0 HA LEU A 66 4.211 -11.556 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.674 -10.287 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.315 -11.843 10.610 1.00 0.00 H new ATOM 0 HG LEU A 66 7.205 -12.225 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.123 -10.432 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.496 -11.024 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.073 -9.475 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.938 -10.472 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.963 -9.511 9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.622 -11.086 9.990 1.00 0.00 H new ATOM 1010 N GLY A 67 3.731 -14.262 9.513 1.00 0.00 N ATOM 1011 CA GLY A 67 3.809 -15.711 9.390 1.00 0.00 C ATOM 1012 C GLY A 67 3.241 -16.215 8.071 1.00 0.00 C ATOM 1013 O GLY A 67 3.980 -16.445 7.110 1.00 0.00 O ATOM 0 H GLY A 67 2.846 -13.915 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.849 -16.024 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.267 -16.172 10.215 1.00 0.00 H new ATOM 1017 N GLU A 68 1.923 -16.379 8.023 1.00 0.00 N ATOM 1018 CA GLU A 68 1.238 -16.841 6.812 1.00 0.00 C ATOM 1019 C GLU A 68 0.560 -15.673 6.078 1.00 0.00 C ATOM 1020 O GLU A 68 -0.149 -15.870 5.087 1.00 0.00 O ATOM 1021 CB GLU A 68 0.195 -17.907 7.180 1.00 0.00 C ATOM 1022 CG GLU A 68 0.748 -19.059 8.020 1.00 0.00 C ATOM 1023 CD GLU A 68 1.794 -19.889 7.289 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.439 -20.543 6.286 1.00 0.00 O ATOM 1025 OE2 GLU A 68 2.966 -19.914 7.722 1.00 0.00 O ATOM 0 H GLU A 68 1.301 -16.199 8.811 1.00 0.00 H new ATOM 0 HA GLU A 68 1.981 -17.275 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.618 -17.430 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.233 -18.313 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.187 -18.656 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.075 -19.707 8.321 1.00 0.00 H new ATOM 1032 N ASP A 69 0.789 -14.458 6.568 1.00 0.00 N ATOM 1033 CA ASP A 69 0.200 -13.256 5.980 1.00 0.00 C ATOM 1034 C ASP A 69 1.143 -12.626 4.942 1.00 0.00 C ATOM 1035 O ASP A 69 0.834 -12.592 3.748 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.156 -12.252 7.093 1.00 0.00 C ATOM 1037 CG ASP A 69 0.978 -12.053 8.092 1.00 0.00 C ATOM 1038 OD1 ASP A 69 1.211 -12.963 8.915 1.00 0.00 O ATOM 1039 OD2 ASP A 69 1.645 -11.003 8.049 1.00 0.00 O ATOM 0 H ASP A 69 1.383 -14.278 7.377 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.715 -13.535 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.411 -11.292 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.043 -12.601 7.622 1.00 0.00 H new ATOM 1044 N LEU A 70 2.304 -12.161 5.397 1.00 0.00 N ATOM 1045 CA LEU A 70 3.272 -11.491 4.521 1.00 0.00 C ATOM 1046 C LEU A 70 4.496 -12.385 4.263 1.00 0.00 C ATOM 1047 O LEU A 70 4.900 -13.170 5.124 1.00 0.00 O ATOM 1048 CB LEU A 70 3.705 -10.153 5.139 1.00 0.00 C ATOM 1049 CG LEU A 70 4.605 -9.270 4.251 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.875 -8.858 2.973 1.00 0.00 C ATOM 1051 CD2 LEU A 70 5.077 -8.039 5.020 1.00 0.00 C ATOM 0 H LEU A 70 2.601 -12.234 6.370 1.00 0.00 H new ATOM 0 HA LEU A 70 2.790 -11.298 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.811 -9.586 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.232 -10.357 6.071 1.00 0.00 H new ATOM 0 HG LEU A 70 5.480 -9.856 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.531 -8.236 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.595 -9.749 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.978 -8.295 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.711 -7.429 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.213 -7.455 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.645 -8.353 5.896 1.00 0.00 H new ATOM 1063 N LYS A 71 5.081 -12.259 3.074 1.00 0.00 N ATOM 1064 CA LYS A 71 6.190 -13.125 2.652 1.00 0.00 C ATOM 1065 C LYS A 71 7.313 -12.327 1.961 1.00 0.00 C ATOM 1066 O LYS A 71 7.197 -11.948 0.793 1.00 0.00 O ATOM 1067 CB LYS A 71 5.619 -14.218 1.731 1.00 0.00 C ATOM 1068 CG LYS A 71 6.633 -15.184 1.114 1.00 0.00 C ATOM 1069 CD LYS A 71 5.944 -16.484 0.685 1.00 0.00 C ATOM 1070 CE LYS A 71 6.785 -17.316 -0.280 1.00 0.00 C ATOM 1071 NZ LYS A 71 6.705 -16.799 -1.673 1.00 0.00 N ATOM 0 H LYS A 71 4.807 -11.564 2.380 1.00 0.00 H new ATOM 0 HA LYS A 71 6.648 -13.583 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.894 -14.800 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.073 -13.733 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.111 -14.717 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.420 -15.404 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.721 -17.080 1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.991 -16.245 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.824 -17.313 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.446 -18.352 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.191 -17.456 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.708 -16.713 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.161 -15.865 -1.724 1.00 0.00 H new ATOM 1085 N TRP A 72 8.388 -12.050 2.706 1.00 0.00 N ATOM 1086 CA TRP A 72 9.562 -11.351 2.156 1.00 0.00 C ATOM 1087 C TRP A 72 10.323 -12.254 1.176 1.00 0.00 C ATOM 1088 O TRP A 72 10.810 -13.323 1.552 1.00 0.00 O ATOM 1089 CB TRP A 72 10.504 -10.898 3.282 1.00 0.00 C ATOM 1090 CG TRP A 72 9.928 -9.822 4.161 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.194 -9.993 5.300 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.047 -8.405 3.968 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.854 -8.771 5.830 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.364 -7.781 5.029 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.667 -7.605 3.001 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.283 -6.395 5.149 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.586 -6.229 3.121 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.899 -5.636 4.188 1.00 0.00 C ATOM 0 H TRP A 72 8.473 -12.298 3.692 1.00 0.00 H new ATOM 0 HA TRP A 72 9.205 -10.471 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.758 -11.760 3.899 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.433 -10.536 2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.921 -10.949 5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.311 -8.624 6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.199 -8.054 2.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.754 -5.935 5.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 11.060 -5.602 2.380 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.854 -4.559 4.255 1.00 0.00 H new ATOM 1109 N GLU A 73 10.436 -11.819 -0.073 1.00 0.00 N ATOM 1110 CA GLU A 73 10.992 -12.666 -1.130 1.00 0.00 C ATOM 1111 C GLU A 73 11.514 -11.830 -2.309 1.00 0.00 C ATOM 1112 O GLU A 73 10.942 -10.792 -2.649 1.00 0.00 O ATOM 1113 CB GLU A 73 9.893 -13.637 -1.579 1.00 0.00 C ATOM 1114 CG GLU A 73 10.283 -14.612 -2.680 1.00 0.00 C ATOM 1115 CD GLU A 73 9.178 -15.622 -2.936 1.00 0.00 C ATOM 1116 OE1 GLU A 73 8.058 -15.197 -3.297 1.00 0.00 O ATOM 1117 OE2 GLU A 73 9.402 -16.834 -2.737 1.00 0.00 O ATOM 0 H GLU A 73 10.152 -10.889 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 73 11.849 -13.220 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.563 -14.210 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.037 -13.055 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.497 -14.063 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.198 -15.134 -2.400 1.00 0.00 H new ATOM 1124 N ALA A 74 12.604 -12.281 -2.931 1.00 0.00 N ATOM 1125 CA ALA A 74 13.225 -11.539 -4.036 1.00 0.00 C ATOM 1126 C ALA A 74 13.914 -12.466 -5.050 1.00 0.00 C ATOM 1127 O ALA A 74 14.262 -13.605 -4.740 1.00 0.00 O ATOM 1128 CB ALA A 74 14.233 -10.534 -3.487 1.00 0.00 C ATOM 0 H ALA A 74 13.076 -13.153 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 74 12.427 -11.016 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.689 -9.988 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.724 -9.833 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.007 -11.062 -2.930 1.00 0.00 H new ATOM 1134 N SER A 75 14.100 -11.966 -6.271 1.00 0.00 N ATOM 1135 CA SER A 75 14.816 -12.702 -7.328 1.00 0.00 C ATOM 1136 C SER A 75 15.424 -11.741 -8.358 1.00 0.00 C ATOM 1137 O SER A 75 14.721 -10.894 -8.906 1.00 0.00 O ATOM 1138 CB SER A 75 13.885 -13.693 -8.049 1.00 0.00 C ATOM 1139 OG SER A 75 13.554 -14.805 -7.227 1.00 0.00 O ATOM 0 H SER A 75 13.764 -11.047 -6.560 1.00 0.00 H new ATOM 0 HA SER A 75 15.617 -13.258 -6.841 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.972 -13.180 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.367 -14.046 -8.960 1.00 0.00 H new ATOM 0 HG SER A 75 13.853 -14.634 -6.310 1.00 0.00 H new ATOM 1145 N ARG A 76 16.731 -11.883 -8.605 1.00 0.00 N ATOM 1146 CA ARG A 76 17.456 -11.089 -9.622 1.00 0.00 C ATOM 1147 C ARG A 76 17.611 -9.603 -9.230 1.00 0.00 C ATOM 1148 O ARG A 76 18.730 -9.099 -9.120 1.00 0.00 O ATOM 1149 CB ARG A 76 16.787 -11.208 -11.010 1.00 0.00 C ATOM 1150 CG ARG A 76 17.090 -12.515 -11.750 1.00 0.00 C ATOM 1151 CD ARG A 76 16.632 -13.750 -10.977 1.00 0.00 C ATOM 1152 NE ARG A 76 16.932 -14.988 -11.693 1.00 0.00 N ATOM 1153 CZ ARG A 76 17.576 -16.004 -11.179 1.00 0.00 C ATOM 1154 NH1 ARG A 76 17.999 -15.970 -9.955 1.00 0.00 N ATOM 1155 NH2 ARG A 76 17.785 -17.057 -11.897 1.00 0.00 N ATOM 0 H ARG A 76 17.322 -12.550 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 76 18.458 -11.514 -9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.708 -11.116 -10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 76 17.111 -10.371 -11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.600 -12.498 -12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 76 18.162 -12.583 -11.934 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.119 -13.768 -10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.559 -13.687 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 76 16.618 -15.065 -12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.831 -15.144 -9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.500 -16.769 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.449 -17.093 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.287 -17.852 -11.502 1.00 0.00 H new ATOM 1169 N GLY A 77 16.494 -8.903 -9.034 1.00 0.00 N ATOM 1170 CA GLY A 77 16.538 -7.482 -8.688 1.00 0.00 C ATOM 1171 C GLY A 77 17.255 -7.175 -7.371 1.00 0.00 C ATOM 1172 O GLY A 77 17.590 -6.020 -7.097 1.00 0.00 O ATOM 0 H GLY A 77 15.554 -9.293 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.034 -6.940 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.518 -7.103 -8.629 1.00 0.00 H new ATOM 1176 N GLY A 78 17.474 -8.198 -6.541 1.00 0.00 N ATOM 1177 CA GLY A 78 18.169 -8.001 -5.269 1.00 0.00 C ATOM 1178 C GLY A 78 17.280 -7.417 -4.169 1.00 0.00 C ATOM 1179 O GLY A 78 17.310 -7.877 -3.022 1.00 0.00 O ATOM 0 H GLY A 78 17.184 -9.159 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.569 -8.957 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.019 -7.338 -5.428 1.00 0.00 H new ATOM 1183 N ALA A 79 16.501 -6.395 -4.512 1.00 0.00 N ATOM 1184 CA ALA A 79 15.596 -5.745 -3.556 1.00 0.00 C ATOM 1185 C ALA A 79 14.547 -6.722 -2.998 1.00 0.00 C ATOM 1186 O ALA A 79 13.932 -7.484 -3.744 1.00 0.00 O ATOM 1187 CB ALA A 79 14.916 -4.554 -4.216 1.00 0.00 C ATOM 0 H ALA A 79 16.475 -5.994 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 79 16.194 -5.400 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.246 -4.076 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.671 -3.838 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.344 -4.894 -5.079 1.00 0.00 H new ATOM 1193 N ARG A 80 14.340 -6.681 -1.685 1.00 0.00 N ATOM 1194 CA ARG A 80 13.406 -7.590 -1.013 1.00 0.00 C ATOM 1195 C ARG A 80 11.952 -7.122 -1.190 1.00 0.00 C ATOM 1196 O ARG A 80 11.551 -6.096 -0.642 1.00 0.00 O ATOM 1197 CB ARG A 80 13.753 -7.673 0.480 1.00 0.00 C ATOM 1198 CG ARG A 80 15.203 -8.069 0.752 1.00 0.00 C ATOM 1199 CD ARG A 80 15.530 -8.042 2.243 1.00 0.00 C ATOM 1200 NE ARG A 80 16.941 -8.339 2.501 1.00 0.00 N ATOM 1201 CZ ARG A 80 17.618 -7.864 3.514 1.00 0.00 C ATOM 1202 NH1 ARG A 80 17.070 -7.025 4.336 1.00 0.00 N ATOM 1203 NH2 ARG A 80 18.856 -8.200 3.678 1.00 0.00 N ATOM 0 H ARG A 80 14.808 -6.025 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 80 13.500 -8.577 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.556 -6.706 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.092 -8.396 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.386 -9.069 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.870 -7.390 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.286 -7.061 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.906 -8.768 2.764 1.00 0.00 H new ATOM 0 HE ARG A 80 17.426 -8.955 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.104 -6.730 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.605 -6.659 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.304 -8.835 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.385 -7.830 4.468 1.00 0.00 H new ATOM 1217 N PHE A 81 11.167 -7.872 -1.960 1.00 0.00 N ATOM 1218 CA PHE A 81 9.780 -7.491 -2.249 1.00 0.00 C ATOM 1219 C PHE A 81 8.789 -8.171 -1.284 1.00 0.00 C ATOM 1220 O PHE A 81 8.686 -9.400 -1.248 1.00 0.00 O ATOM 1221 CB PHE A 81 9.424 -7.847 -3.701 1.00 0.00 C ATOM 1222 CG PHE A 81 10.268 -7.126 -4.723 1.00 0.00 C ATOM 1223 CD1 PHE A 81 10.093 -5.767 -4.949 1.00 0.00 C ATOM 1224 CD2 PHE A 81 11.236 -7.802 -5.454 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.865 -5.101 -5.882 1.00 0.00 C ATOM 1226 CE2 PHE A 81 12.010 -7.138 -6.388 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.825 -5.786 -6.601 1.00 0.00 C ATOM 0 H PHE A 81 11.463 -8.745 -2.396 1.00 0.00 H new ATOM 0 HA PHE A 81 9.698 -6.413 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.538 -8.922 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.374 -7.612 -3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.345 -5.225 -4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.386 -8.859 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.718 -4.044 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.759 -7.676 -6.950 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.430 -5.265 -7.329 1.00 0.00 H new ATOM 1237 N PRO A 82 8.047 -7.381 -0.479 1.00 0.00 N ATOM 1238 CA PRO A 82 7.004 -7.913 0.415 1.00 0.00 C ATOM 1239 C PRO A 82 5.812 -8.507 -0.362 1.00 0.00 C ATOM 1240 O PRO A 82 4.972 -7.778 -0.894 1.00 0.00 O ATOM 1241 CB PRO A 82 6.560 -6.685 1.240 1.00 0.00 C ATOM 1242 CG PRO A 82 7.621 -5.654 1.017 1.00 0.00 C ATOM 1243 CD PRO A 82 8.173 -5.920 -0.355 1.00 0.00 C ATOM 0 HA PRO A 82 7.379 -8.733 1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.585 -6.323 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.469 -6.934 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.208 -4.648 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.402 -5.728 1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.607 -5.398 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.209 -5.594 -0.444 1.00 0.00 H new ATOM 1251 N HIS A 83 5.764 -9.834 -0.452 1.00 0.00 N ATOM 1252 CA HIS A 83 4.678 -10.528 -1.154 1.00 0.00 C ATOM 1253 C HIS A 83 3.523 -10.867 -0.193 1.00 0.00 C ATOM 1254 O HIS A 83 3.693 -11.648 0.742 1.00 0.00 O ATOM 1255 CB HIS A 83 5.215 -11.808 -1.817 1.00 0.00 C ATOM 1256 CG HIS A 83 6.275 -11.557 -2.854 1.00 0.00 C ATOM 1257 ND1 HIS A 83 7.105 -12.544 -3.341 1.00 0.00 N ATOM 1258 CD2 HIS A 83 6.623 -10.426 -3.519 1.00 0.00 C ATOM 1259 CE1 HIS A 83 7.910 -12.036 -4.252 1.00 0.00 C ATOM 1260 NE2 HIS A 83 7.640 -10.754 -4.383 1.00 0.00 N ATOM 0 H HIS A 83 6.465 -10.455 -0.048 1.00 0.00 H new ATOM 0 HA HIS A 83 4.289 -9.863 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.622 -12.462 -1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.385 -12.341 -2.281 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.097 -13.519 -3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.182 -9.448 -3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.665 -12.580 -4.800 1.00 0.00 H new ATOM 1269 N LEU A 84 2.356 -10.269 -0.425 1.00 0.00 N ATOM 1270 CA LEU A 84 1.171 -10.512 0.413 1.00 0.00 C ATOM 1271 C LEU A 84 0.164 -11.410 -0.324 1.00 0.00 C ATOM 1272 O LEU A 84 -0.178 -11.155 -1.477 1.00 0.00 O ATOM 1273 CB LEU A 84 0.515 -9.173 0.789 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.696 -9.257 1.738 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.291 -9.845 3.089 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.335 -7.879 1.917 1.00 0.00 C ATOM 0 H LEU A 84 2.200 -9.610 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 84 1.484 -11.023 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.271 -8.538 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.199 -8.676 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.434 -9.922 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.163 -9.894 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.110 -10.848 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.470 -9.213 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.188 -7.958 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.603 -7.190 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.670 -7.505 0.950 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.310 -12.460 0.341 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.207 -13.440 -0.295 1.00 0.00 C ATOM 1290 C TYR A 85 -2.643 -13.360 0.263 1.00 0.00 C ATOM 1291 O TYR A 85 -3.318 -14.383 0.410 1.00 0.00 O ATOM 1292 CB TYR A 85 -0.638 -14.858 -0.102 1.00 0.00 C ATOM 1293 CG TYR A 85 0.709 -15.082 -0.773 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.890 -14.654 -0.172 1.00 0.00 C ATOM 1295 CD2 TYR A 85 0.801 -15.714 -2.010 1.00 0.00 C ATOM 1296 CE1 TYR A 85 3.115 -14.853 -0.781 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.025 -15.916 -2.622 1.00 0.00 C ATOM 1298 CZ TYR A 85 3.179 -15.482 -2.005 1.00 0.00 C ATOM 1299 OH TYR A 85 4.403 -15.683 -2.612 1.00 0.00 O ATOM 0 H TYR A 85 -0.093 -12.660 1.317 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.262 -13.205 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.538 -15.056 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.353 -15.581 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.848 -14.158 0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.100 -16.053 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.020 -14.516 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.076 -16.412 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 85 4.272 -16.141 -3.469 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.110 -12.145 0.559 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.478 -11.934 1.063 1.00 0.00 C ATOM 1311 C ARG A 86 -4.855 -10.441 1.027 1.00 0.00 C ATOM 1312 O ARG A 86 -4.032 -9.594 1.357 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.609 -12.484 2.495 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.683 -11.815 3.510 1.00 0.00 C ATOM 1315 CD ARG A 86 -3.737 -12.510 4.868 1.00 0.00 C ATOM 1316 NE ARG A 86 -3.229 -13.877 4.796 1.00 0.00 N ATOM 1317 CZ ARG A 86 -3.407 -14.785 5.715 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -4.088 -14.530 6.785 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -2.898 -15.958 5.558 1.00 0.00 N ATOM 0 H ARG A 86 -2.564 -11.289 0.460 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.167 -12.474 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.640 -12.363 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.402 -13.554 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.660 -11.830 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.965 -10.768 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.152 -11.942 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.765 -12.522 5.230 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.696 -14.141 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.497 -13.605 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.216 -15.254 7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.359 -16.172 4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.034 -16.673 6.273 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.099 -10.100 0.614 1.00 0.00 N ATOM 1334 CA PRO A 87 -6.552 -8.692 0.513 1.00 0.00 C ATOM 1335 C PRO A 87 -6.557 -7.962 1.868 1.00 0.00 C ATOM 1336 O PRO A 87 -6.795 -8.575 2.915 1.00 0.00 O ATOM 1337 CB PRO A 87 -7.986 -8.805 -0.037 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.071 -10.177 -0.618 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.160 -11.039 0.212 1.00 0.00 C ATOM 0 HA PRO A 87 -5.882 -8.107 -0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.724 -8.665 0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.180 -8.044 -0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.095 -10.550 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.762 -10.177 -1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.676 -11.459 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.763 -11.877 -0.361 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.325 -6.651 1.846 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.236 -5.870 3.088 1.00 0.00 C ATOM 1349 C LEU A 88 -7.460 -4.950 3.259 1.00 0.00 C ATOM 1350 O LEU A 88 -7.719 -4.070 2.438 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.922 -5.058 3.103 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.403 -4.612 4.491 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -2.938 -4.189 4.409 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -5.238 -3.469 5.063 1.00 0.00 C ATOM 0 H LEU A 88 -6.196 -6.107 0.993 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.231 -6.559 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.146 -5.655 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.063 -4.168 2.489 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.492 -5.468 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.593 -3.879 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.336 -5.028 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.838 -3.357 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.844 -3.183 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.194 -2.614 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.273 -3.793 5.171 1.00 0.00 H new ATOM 1366 N LEU A 89 -8.216 -5.170 4.335 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.392 -4.348 4.645 1.00 0.00 C ATOM 1368 C LEU A 89 -8.976 -2.936 5.101 1.00 0.00 C ATOM 1369 O LEU A 89 -8.074 -2.783 5.923 1.00 0.00 O ATOM 1370 CB LEU A 89 -10.225 -5.035 5.733 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.668 -6.474 5.408 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -11.472 -7.067 6.561 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -11.471 -6.519 4.108 1.00 0.00 C ATOM 0 H LEU A 89 -8.036 -5.913 5.010 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.992 -4.243 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.646 -5.050 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.113 -4.432 5.923 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.772 -7.079 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.774 -8.084 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.858 -7.084 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.359 -6.458 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.772 -7.546 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.359 -5.894 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.856 -6.149 3.288 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.654 -1.910 4.586 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.260 -0.520 4.815 1.00 0.00 C ATOM 1387 C VAL A 90 -9.210 -0.152 6.308 1.00 0.00 C ATOM 1388 O VAL A 90 -8.347 0.614 6.742 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.216 0.436 4.071 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -10.197 0.140 2.575 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -11.638 0.353 4.633 1.00 0.00 C ATOM 0 H VAL A 90 -10.484 -2.017 4.003 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.249 -0.412 4.423 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.867 1.457 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.875 0.821 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.186 0.275 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.516 -0.888 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.286 1.039 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.013 -0.665 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.629 0.626 5.688 1.00 0.00 H new ATOM 1401 N SER A 91 -10.119 -0.721 7.096 1.00 0.00 N ATOM 1402 CA SER A 91 -10.179 -0.435 8.539 1.00 0.00 C ATOM 1403 C SER A 91 -9.014 -1.091 9.298 1.00 0.00 C ATOM 1404 O SER A 91 -8.861 -0.898 10.505 1.00 0.00 O ATOM 1405 CB SER A 91 -11.517 -0.918 9.120 1.00 0.00 C ATOM 1406 OG SER A 91 -11.681 -0.539 10.481 1.00 0.00 O ATOM 0 H SER A 91 -10.824 -1.381 6.768 1.00 0.00 H new ATOM 0 HA SER A 91 -10.096 0.645 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.336 -0.508 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.576 -2.003 9.037 1.00 0.00 H new ATOM 0 HG SER A 91 -10.807 -0.521 10.923 1.00 0.00 H new ATOM 1412 N GLU A 92 -8.188 -1.863 8.591 1.00 0.00 N ATOM 1413 CA GLU A 92 -7.050 -2.549 9.219 1.00 0.00 C ATOM 1414 C GLU A 92 -5.734 -1.771 9.022 1.00 0.00 C ATOM 1415 O GLU A 92 -4.720 -2.072 9.659 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.917 -3.973 8.654 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.996 -4.884 9.465 1.00 0.00 C ATOM 1418 CD GLU A 92 -6.514 -5.130 10.876 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -6.178 -4.350 11.792 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -7.270 -6.103 11.076 1.00 0.00 O ATOM 0 H GLU A 92 -8.281 -2.031 7.589 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.243 -2.602 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.907 -4.426 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.543 -3.913 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.888 -5.838 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.003 -4.437 9.519 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.752 -0.769 8.142 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.557 0.042 7.869 1.00 0.00 C ATOM 1429 C VAL A 93 -4.152 0.878 9.098 1.00 0.00 C ATOM 1430 O VAL A 93 -4.958 1.648 9.624 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.781 0.983 6.657 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.531 1.813 6.369 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.197 0.182 5.421 1.00 0.00 C ATOM 0 H VAL A 93 -6.576 -0.497 7.606 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.750 -0.652 7.634 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.589 1.670 6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.715 2.464 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.288 2.419 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.697 1.148 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.349 0.861 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.414 -0.534 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.124 -0.352 5.629 1.00 0.00 H new ATOM 1443 N THR A 94 -2.899 0.730 9.542 1.00 0.00 N ATOM 1444 CA THR A 94 -2.407 1.429 10.742 1.00 0.00 C ATOM 1445 C THR A 94 -2.503 2.958 10.588 1.00 0.00 C ATOM 1446 O THR A 94 -2.827 3.669 11.542 1.00 0.00 O ATOM 1447 CB THR A 94 -0.942 1.034 11.072 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.828 -0.395 11.182 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.467 1.681 12.374 1.00 0.00 C ATOM 0 H THR A 94 -2.205 0.134 9.091 1.00 0.00 H new ATOM 0 HA THR A 94 -3.049 1.119 11.566 1.00 0.00 H new ATOM 0 HB THR A 94 -0.312 1.394 10.258 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.231 -0.619 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.562 1.383 12.574 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.519 2.766 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.105 1.356 13.196 1.00 0.00 H new ATOM 1457 N ARG A 95 -2.208 3.458 9.386 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.389 4.883 9.074 1.00 0.00 C ATOM 1459 C ARG A 95 -2.444 5.144 7.563 1.00 0.00 C ATOM 1460 O ARG A 95 -1.728 4.519 6.779 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.273 5.736 9.696 1.00 0.00 C ATOM 1462 CG ARG A 95 -1.317 7.207 9.272 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.300 8.064 10.020 1.00 0.00 C ATOM 1464 NE ARG A 95 -0.256 9.429 9.497 1.00 0.00 N ATOM 1465 CZ ARG A 95 -1.077 10.385 9.848 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -1.998 10.185 10.740 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -0.973 11.552 9.303 1.00 0.00 N ATOM 0 H ARG A 95 -1.844 2.901 8.613 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.347 5.170 9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.345 5.677 10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.307 5.315 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.129 7.278 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.318 7.602 9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.553 8.088 11.080 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.688 7.611 9.939 1.00 0.00 H new ATOM 0 HE ARG A 95 0.465 9.651 8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.091 9.270 11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.629 10.943 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.253 11.725 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.611 12.300 9.574 1.00 0.00 H new ATOM 1481 N GLU A 96 -3.291 6.090 7.176 1.00 0.00 N ATOM 1482 CA GLU A 96 -3.396 6.539 5.783 1.00 0.00 C ATOM 1483 C GLU A 96 -2.764 7.937 5.617 1.00 0.00 C ATOM 1484 O GLU A 96 -3.447 8.960 5.677 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.872 6.548 5.337 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.795 7.350 6.257 1.00 0.00 C ATOM 1487 CD GLU A 96 -7.227 7.415 5.752 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -7.497 8.173 4.795 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -8.101 6.719 6.306 1.00 0.00 O ATOM 0 H GLU A 96 -3.926 6.570 7.814 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.849 5.843 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.934 6.959 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.231 5.520 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.786 6.903 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.406 8.363 6.360 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.446 7.980 5.432 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.727 9.259 5.365 1.00 0.00 C ATOM 1498 C ALA A 97 -0.960 9.988 4.030 1.00 0.00 C ATOM 1499 O ALA A 97 -0.180 9.856 3.086 1.00 0.00 O ATOM 1500 CB ALA A 97 0.763 9.046 5.620 1.00 0.00 C ATOM 0 H ALA A 97 -0.855 7.155 5.326 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.128 9.901 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.282 10.003 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.904 8.611 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.168 8.371 4.866 1.00 0.00 H new ATOM 1506 N ASP A 98 -2.062 10.730 3.957 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.389 11.547 2.782 1.00 0.00 C ATOM 1508 C ASP A 98 -1.411 12.732 2.657 1.00 0.00 C ATOM 1509 O ASP A 98 -1.532 13.731 3.372 1.00 0.00 O ATOM 1510 CB ASP A 98 -3.838 12.048 2.902 1.00 0.00 C ATOM 1511 CG ASP A 98 -4.321 12.813 1.679 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -3.899 13.973 1.485 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -5.155 12.272 0.924 1.00 0.00 O ATOM 0 H ASP A 98 -2.753 10.785 4.705 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.293 10.940 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.496 11.195 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.920 12.691 3.778 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.444 12.615 1.750 1.00 0.00 N ATOM 1519 CA LEU A 99 0.627 13.612 1.623 1.00 0.00 C ATOM 1520 C LEU A 99 0.603 14.336 0.265 1.00 0.00 C ATOM 1521 O LEU A 99 -0.100 13.933 -0.664 1.00 0.00 O ATOM 1522 CB LEU A 99 1.994 12.935 1.862 1.00 0.00 C ATOM 1523 CG LEU A 99 2.279 11.653 1.042 1.00 0.00 C ATOM 1524 CD1 LEU A 99 2.606 11.970 -0.419 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.410 10.850 1.682 1.00 0.00 C ATOM 0 H LEU A 99 -0.376 11.841 1.090 1.00 0.00 H new ATOM 0 HA LEU A 99 0.461 14.377 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.778 13.661 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.073 12.688 2.921 1.00 0.00 H new ATOM 0 HG LEU A 99 1.370 11.052 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.799 11.043 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.763 12.487 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.489 12.607 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.597 9.952 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.314 11.458 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.126 10.566 2.696 1.00 0.00 H new ATOM 1537 N ASP A 100 1.382 15.411 0.165 1.00 0.00 N ATOM 1538 CA ASP A 100 1.508 16.173 -1.081 1.00 0.00 C ATOM 1539 C ASP A 100 2.982 16.241 -1.526 1.00 0.00 C ATOM 1540 O ASP A 100 3.873 15.764 -0.818 1.00 0.00 O ATOM 1541 CB ASP A 100 0.948 17.587 -0.888 1.00 0.00 C ATOM 1542 CG ASP A 100 -0.448 17.580 -0.282 1.00 0.00 C ATOM 1543 OD1 ASP A 100 -1.424 17.326 -1.019 1.00 0.00 O ATOM 1544 OD2 ASP A 100 -0.571 17.828 0.938 1.00 0.00 O ATOM 0 H ASP A 100 1.940 15.778 0.936 1.00 0.00 H new ATOM 0 HA ASP A 100 0.936 15.667 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.618 18.155 -0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.921 18.099 -1.850 1.00 0.00 H new ATOM 1549 N LEU A 101 3.235 16.839 -2.692 1.00 0.00 N ATOM 1550 CA LEU A 101 4.602 16.949 -3.228 1.00 0.00 C ATOM 1551 C LEU A 101 4.722 18.083 -4.258 1.00 0.00 C ATOM 1552 O LEU A 101 3.745 18.766 -4.574 1.00 0.00 O ATOM 1553 CB LEU A 101 5.019 15.639 -3.913 1.00 0.00 C ATOM 1554 CG LEU A 101 4.238 15.308 -5.207 1.00 0.00 C ATOM 1555 CD1 LEU A 101 5.150 14.660 -6.241 1.00 0.00 C ATOM 1556 CD2 LEU A 101 3.038 14.409 -4.911 1.00 0.00 C ATOM 0 H LEU A 101 2.517 17.255 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 101 5.254 17.163 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.082 15.691 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.890 14.819 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 101 3.865 16.246 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.578 14.437 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.963 15.343 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.562 13.736 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.508 14.193 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.383 13.477 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.366 14.916 -4.219 1.00 0.00 H new ATOM 1568 N ASP A 102 5.932 18.271 -4.785 1.00 0.00 N ATOM 1569 CA ASP A 102 6.145 19.178 -5.920 1.00 0.00 C ATOM 1570 C ASP A 102 6.582 18.432 -7.178 1.00 0.00 C ATOM 1571 O ASP A 102 6.909 17.243 -7.141 1.00 0.00 O ATOM 1572 CB ASP A 102 7.171 20.260 -5.579 1.00 0.00 C ATOM 1573 CG ASP A 102 8.502 19.684 -5.135 1.00 0.00 C ATOM 1574 OD1 ASP A 102 8.579 19.166 -4.000 1.00 0.00 O ATOM 1575 OD2 ASP A 102 9.471 19.737 -5.921 1.00 0.00 O ATOM 0 H ASP A 102 6.778 17.811 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 102 5.184 19.650 -6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.327 20.895 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.773 20.896 -4.789 1.00 0.00 H new ATOM 1580 N ALA A 103 6.596 19.163 -8.289 1.00 0.00 N ATOM 1581 CA ALA A 103 6.948 18.604 -9.595 1.00 0.00 C ATOM 1582 C ALA A 103 8.360 18.004 -9.584 1.00 0.00 C ATOM 1583 O ALA A 103 9.346 18.728 -9.716 1.00 0.00 O ATOM 1584 CB ALA A 103 6.828 19.674 -10.678 1.00 0.00 C ATOM 0 H ALA A 103 6.365 20.156 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 103 6.248 17.799 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.093 19.245 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.803 20.043 -10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.503 20.499 -10.450 1.00 0.00 H new ATOM 1590 N ASP A 104 8.431 16.695 -9.329 1.00 0.00 N ATOM 1591 CA ASP A 104 9.675 15.914 -9.401 1.00 0.00 C ATOM 1592 C ASP A 104 10.354 15.899 -8.030 1.00 0.00 C ATOM 1593 O ASP A 104 11.348 15.204 -7.814 1.00 0.00 O ATOM 1594 CB ASP A 104 10.617 16.419 -10.509 1.00 0.00 C ATOM 1595 CG ASP A 104 11.784 15.482 -10.767 1.00 0.00 C ATOM 1596 OD1 ASP A 104 11.561 14.379 -11.311 1.00 0.00 O ATOM 1597 OD2 ASP A 104 12.934 15.842 -10.438 1.00 0.00 O ATOM 0 H ASP A 104 7.619 16.138 -9.063 1.00 0.00 H new ATOM 0 HA ASP A 104 9.422 14.889 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.050 16.546 -11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.001 17.401 -10.233 1.00 0.00 H new ATOM 1602 N GLY A 105 9.796 16.677 -7.102 1.00 0.00 N ATOM 1603 CA GLY A 105 10.116 16.505 -5.699 1.00 0.00 C ATOM 1604 C GLY A 105 9.741 15.110 -5.236 1.00 0.00 C ATOM 1605 O GLY A 105 10.476 14.485 -4.467 1.00 0.00 O ATOM 0 H GLY A 105 9.129 17.422 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.181 16.674 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.583 17.247 -5.105 1.00 0.00 H new ATOM 1609 N VAL A 106 8.582 14.631 -5.723 1.00 0.00 N ATOM 1610 CA VAL A 106 8.172 13.231 -5.555 1.00 0.00 C ATOM 1611 C VAL A 106 7.875 12.884 -4.079 1.00 0.00 C ATOM 1612 O VAL A 106 8.574 13.347 -3.184 1.00 0.00 O ATOM 1613 CB VAL A 106 9.262 12.307 -6.167 1.00 0.00 C ATOM 1614 CG1 VAL A 106 9.463 11.022 -5.362 1.00 0.00 C ATOM 1615 CG2 VAL A 106 8.932 11.987 -7.623 1.00 0.00 C ATOM 0 H VAL A 106 7.911 15.200 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 106 7.234 13.071 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 106 10.205 12.853 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.235 10.414 -5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.769 11.273 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.528 10.462 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 106 9.705 11.339 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.968 11.481 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.888 12.912 -8.198 1.00 0.00 H new ATOM 1625 N PRO A 107 6.823 12.062 -3.811 1.00 0.00 N ATOM 1626 CA PRO A 107 6.356 11.769 -2.441 1.00 0.00 C ATOM 1627 C PRO A 107 7.486 11.696 -1.400 1.00 0.00 C ATOM 1628 O PRO A 107 8.211 10.703 -1.317 1.00 0.00 O ATOM 1629 CB PRO A 107 5.673 10.411 -2.612 1.00 0.00 C ATOM 1630 CG PRO A 107 5.095 10.458 -3.989 1.00 0.00 C ATOM 1631 CD PRO A 107 6.022 11.325 -4.817 1.00 0.00 C ATOM 0 HA PRO A 107 5.710 12.557 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.385 9.592 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.898 10.258 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.020 9.456 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.087 10.873 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.656 10.723 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.463 12.006 -5.459 1.00 0.00 H new ATOM 1639 N GLN A 108 7.637 12.768 -0.621 1.00 0.00 N ATOM 1640 CA GLN A 108 8.738 12.884 0.343 1.00 0.00 C ATOM 1641 C GLN A 108 8.559 11.919 1.527 1.00 0.00 C ATOM 1642 O GLN A 108 8.094 12.305 2.601 1.00 0.00 O ATOM 1643 CB GLN A 108 8.868 14.336 0.856 1.00 0.00 C ATOM 1644 CG GLN A 108 9.226 15.368 -0.221 1.00 0.00 C ATOM 1645 CD GLN A 108 8.125 15.599 -1.240 1.00 0.00 C ATOM 1646 OE1 GLN A 108 6.942 15.467 -0.940 1.00 0.00 O ATOM 1647 NE2 GLN A 108 8.504 15.944 -2.454 1.00 0.00 N ATOM 0 H GLN A 108 7.010 13.572 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 108 9.655 12.611 -0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.926 14.628 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.630 14.365 1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.465 16.315 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.126 15.039 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.496 16.045 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.805 16.110 -3.178 1.00 0.00 H new ATOM 1656 N LEU A 109 8.916 10.653 1.316 1.00 0.00 N ATOM 1657 CA LEU A 109 8.804 9.628 2.361 1.00 0.00 C ATOM 1658 C LEU A 109 9.960 9.699 3.363 1.00 0.00 C ATOM 1659 O LEU A 109 9.818 9.256 4.498 1.00 0.00 O ATOM 1660 CB LEU A 109 8.719 8.220 1.741 1.00 0.00 C ATOM 1661 CG LEU A 109 7.296 7.715 1.446 1.00 0.00 C ATOM 1662 CD1 LEU A 109 6.520 8.712 0.592 1.00 0.00 C ATOM 1663 CD2 LEU A 109 7.342 6.344 0.776 1.00 0.00 C ATOM 0 H LEU A 109 9.286 10.309 0.430 1.00 0.00 H new ATOM 0 HA LEU A 109 7.882 9.829 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.288 8.216 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.204 7.514 2.415 1.00 0.00 H new ATOM 0 HG LEU A 109 6.771 7.616 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.519 8.326 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.448 9.663 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.038 8.860 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.326 6.003 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.893 6.416 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.839 5.633 1.436 1.00 0.00 H new ATOM 1675 N GLY A 110 11.090 10.265 2.948 1.00 0.00 N ATOM 1676 CA GLY A 110 12.251 10.383 3.835 1.00 0.00 C ATOM 1677 C GLY A 110 11.913 10.953 5.217 1.00 0.00 C ATOM 1678 O GLY A 110 12.413 10.472 6.235 1.00 0.00 O ATOM 0 H GLY A 110 11.230 10.647 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.705 9.400 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.997 11.021 3.361 1.00 0.00 H new ATOM 1682 N ASP A 111 11.054 11.974 5.253 1.00 0.00 N ATOM 1683 CA ASP A 111 10.620 12.591 6.519 1.00 0.00 C ATOM 1684 C ASP A 111 9.553 11.748 7.244 1.00 0.00 C ATOM 1685 O ASP A 111 9.256 11.977 8.419 1.00 0.00 O ATOM 1686 CB ASP A 111 10.080 13.996 6.247 1.00 0.00 C ATOM 1687 CG ASP A 111 11.140 14.908 5.659 1.00 0.00 C ATOM 1688 OD1 ASP A 111 11.304 14.918 4.423 1.00 0.00 O ATOM 1689 OD2 ASP A 111 11.825 15.611 6.432 1.00 0.00 O ATOM 0 H ASP A 111 10.642 12.395 4.421 1.00 0.00 H new ATOM 0 HA ASP A 111 11.489 12.646 7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.235 13.933 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.706 14.427 7.176 1.00 0.00 H new ATOM 1694 N HIS A 112 8.976 10.777 6.538 1.00 0.00 N ATOM 1695 CA HIS A 112 7.958 9.887 7.116 1.00 0.00 C ATOM 1696 C HIS A 112 8.589 8.574 7.623 1.00 0.00 C ATOM 1697 O HIS A 112 7.948 7.807 8.344 1.00 0.00 O ATOM 1698 CB HIS A 112 6.872 9.560 6.073 1.00 0.00 C ATOM 1699 CG HIS A 112 6.238 10.765 5.439 1.00 0.00 C ATOM 1700 ND1 HIS A 112 5.771 11.845 6.154 1.00 0.00 N ATOM 1701 CD2 HIS A 112 5.994 11.054 4.137 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.267 12.740 5.328 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.391 12.288 4.096 1.00 0.00 N ATOM 0 H HIS A 112 9.194 10.582 5.561 1.00 0.00 H new ATOM 0 HA HIS A 112 7.507 10.409 7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.312 8.942 5.290 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.094 8.964 6.551 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.230 10.429 3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.827 13.684 5.613 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.089 12.774 3.252 1.00 0.00 H new ATOM 1712 N LEU A 113 9.842 8.317 7.238 1.00 0.00 N ATOM 1713 CA LEU A 113 10.512 7.052 7.568 1.00 0.00 C ATOM 1714 C LEU A 113 11.644 7.233 8.594 1.00 0.00 C ATOM 1715 O LEU A 113 12.134 8.341 8.816 1.00 0.00 O ATOM 1716 CB LEU A 113 11.101 6.412 6.301 1.00 0.00 C ATOM 1717 CG LEU A 113 10.144 6.285 5.101 1.00 0.00 C ATOM 1718 CD1 LEU A 113 10.870 5.709 3.888 1.00 0.00 C ATOM 1719 CD2 LEU A 113 8.928 5.432 5.458 1.00 0.00 C ATOM 0 H LEU A 113 10.414 8.966 6.698 1.00 0.00 H new ATOM 0 HA LEU A 113 9.751 6.407 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.966 6.998 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.466 5.417 6.556 1.00 0.00 H new ATOM 0 HG LEU A 113 9.792 7.284 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.175 5.628 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.695 6.366 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.260 4.721 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.269 5.358 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.256 4.434 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.390 5.894 6.286 1.00 0.00 H new ATOM 1731 N ALA A 114 12.044 6.114 9.201 1.00 0.00 N ATOM 1732 CA ALA A 114 13.238 6.033 10.065 1.00 0.00 C ATOM 1733 C ALA A 114 13.135 6.852 11.368 1.00 0.00 C ATOM 1734 O ALA A 114 13.012 6.285 12.456 1.00 0.00 O ATOM 1735 CB ALA A 114 14.487 6.438 9.283 1.00 0.00 C ATOM 0 H ALA A 114 11.548 5.227 9.110 1.00 0.00 H new ATOM 0 HA ALA A 114 13.310 4.990 10.374 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.360 6.374 9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.617 5.768 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.376 7.461 8.925 1.00 0.00 H new ATOM 1741 N LEU A 115 13.201 8.178 11.259 1.00 0.00 N ATOM 1742 CA LEU A 115 13.289 9.054 12.438 1.00 0.00 C ATOM 1743 C LEU A 115 11.903 9.438 12.993 1.00 0.00 C ATOM 1744 O LEU A 115 10.909 9.484 12.264 1.00 0.00 O ATOM 1745 CB LEU A 115 14.078 10.324 12.078 1.00 0.00 C ATOM 1746 CG LEU A 115 14.337 11.301 13.239 1.00 0.00 C ATOM 1747 CD1 LEU A 115 15.201 10.651 14.316 1.00 0.00 C ATOM 1748 CD2 LEU A 115 14.984 12.582 12.725 1.00 0.00 C ATOM 0 H LEU A 115 13.196 8.674 10.368 1.00 0.00 H new ATOM 0 HA LEU A 115 13.806 8.498 13.221 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.038 10.026 11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 115 13.538 10.855 11.294 1.00 0.00 H new ATOM 0 HG LEU A 115 13.378 11.558 13.689 1.00 0.00 H new ATOM 0 HD11 LEU A 115 15.370 11.362 15.125 1.00 0.00 H new ATOM 0 HD12 LEU A 115 14.693 9.770 14.707 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.158 10.357 13.886 1.00 0.00 H new ATOM 0 HD21 LEU A 115 15.160 13.261 13.559 1.00 0.00 H new ATOM 0 HD22 LEU A 115 15.933 12.343 12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 115 14.322 13.059 12.002 1.00 0.00 H new ATOM 1760 N GLU A 116 11.849 9.711 14.298 1.00 0.00 N ATOM 1761 CA GLU A 116 10.620 10.178 14.949 1.00 0.00 C ATOM 1762 C GLU A 116 10.412 11.683 14.711 1.00 0.00 C ATOM 1763 O GLU A 116 11.358 12.417 14.418 1.00 0.00 O ATOM 1764 CB GLU A 116 10.665 9.917 16.465 1.00 0.00 C ATOM 1765 CG GLU A 116 10.862 8.454 16.864 1.00 0.00 C ATOM 1766 CD GLU A 116 12.263 7.930 16.583 1.00 0.00 C ATOM 1767 OE1 GLU A 116 13.231 8.721 16.667 1.00 0.00 O ATOM 1768 OE2 GLU A 116 12.406 6.724 16.301 1.00 0.00 O ATOM 0 H GLU A 116 12.645 9.617 14.929 1.00 0.00 H new ATOM 0 HA GLU A 116 9.791 9.622 14.511 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.473 10.507 16.896 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.736 10.277 16.908 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.648 8.344 17.927 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.139 7.839 16.328 1.00 0.00 H new TER 1775 GLU A 116