USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 566 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 40 SER OG : rot 58:sc= -0.0916 USER MOD Set 1.2: A 48 ASN : amide:sc= -3.39 K(o=-3.5,f=0.9) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.0265 (180deg=-0.138) USER MOD Single : A 2 SER OG : rot 160:sc= 0 USER MOD Single : A 2ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= -0.467 (180deg=-0.985!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -150:sc= 0 USER MOD Single : A 11 SER OG : rot -50:sc= 0.741 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -2.84! USER MOD Single : A 18 HIS : no HD1:sc= -0.69 K(o=-0.69,f=-0.045) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 90:sc= -0.876 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.413 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -24:sc= 1.75 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 139 SER OG : rot -31:sc= 0.0499 USER MOD Single : A 140 HIS : no HE2:sc= -9.62! C(o=-9.6!,f=-12!) USER MOD Single : A 143 LYS NZ :NH3+ 162:sc= 0.178 (180deg=0.0451) USER MOD Single : A 146 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0587) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.786 12.972 6.553 1.00 0.00 N ATOM 2 CA GLY A 1 4.752 12.829 5.491 1.00 0.00 C ATOM 3 C GLY A 1 4.200 11.420 5.404 1.00 0.00 C ATOM 4 O GLY A 1 3.060 11.218 4.987 1.00 0.00 O ATOM 0 H1 GLY A 1 6.021 13.978 6.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.419 12.590 7.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.641 12.448 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.936 13.524 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.183 13.107 4.529 1.00 0.00 H new ATOM 10 N SER A 2 5.011 10.443 5.797 1.00 0.00 N ATOM 11 CA SER A 2 4.595 9.046 5.760 1.00 0.00 C ATOM 12 C SER A 2 5.676 8.139 6.339 1.00 0.00 C ATOM 13 O SER A 2 6.845 8.518 6.411 1.00 0.00 O ATOM 14 CB SER A 2 4.279 8.627 4.324 1.00 0.00 C ATOM 15 OG SER A 2 5.289 9.063 3.431 1.00 0.00 O ATOM 0 H SER A 2 5.958 10.593 6.144 1.00 0.00 H new ATOM 0 HA SER A 2 3.697 8.944 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.186 7.542 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.318 9.045 4.023 1.00 0.00 H new ATOM 0 HG SER A 2 5.248 8.533 2.607 1.00 0.00 H new ATOM 21 N LYS A 2A 5.277 6.939 6.747 1.00 0.00 N ATOM 22 CA LYS A 2A 6.211 5.973 7.316 1.00 0.00 C ATOM 23 C LYS A 2A 6.654 4.969 6.258 1.00 0.00 C ATOM 24 O LYS A 2A 6.838 3.787 6.547 1.00 0.00 O ATOM 25 CB LYS A 2A 5.572 5.237 8.498 1.00 0.00 C ATOM 26 CG LYS A 2A 4.617 6.094 9.314 1.00 0.00 C ATOM 27 CD LYS A 2A 3.173 5.868 8.897 1.00 0.00 C ATOM 28 CE LYS A 2A 2.381 7.166 8.908 1.00 0.00 C ATOM 29 NZ LYS A 2A 1.682 7.380 10.205 1.00 0.00 N ATOM 0 H LYS A 2A 4.312 6.612 6.694 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.086 6.517 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 5.034 4.367 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 6.361 4.866 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 4.732 5.862 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 4.873 7.146 9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 3.145 5.432 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 2.706 5.150 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 3.053 8.003 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 1.650 7.152 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 1.154 8.275 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 1.022 6.595 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 2.381 7.419 10.974 1.00 0.00 H new ATOM 43 N LEU A 2B 6.817 5.447 5.029 1.00 0.00 N ATOM 44 CA LEU A 2B 7.231 4.592 3.924 1.00 0.00 C ATOM 45 C LEU A 2B 8.752 4.531 3.820 1.00 0.00 C ATOM 46 O LEU A 2B 9.316 3.494 3.473 1.00 0.00 O ATOM 47 CB LEU A 2B 6.632 5.099 2.609 1.00 0.00 C ATOM 48 CG LEU A 2B 5.314 4.439 2.195 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.367 4.325 3.381 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.659 5.222 1.067 1.00 0.00 C ATOM 0 H LEU A 2B 6.668 6.423 4.773 1.00 0.00 H new ATOM 0 HA LEU A 2B 6.862 3.585 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.471 6.174 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.362 4.947 1.814 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.536 3.433 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.438 3.853 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 4.831 3.721 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.153 5.319 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.723 4.739 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.456 6.240 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.328 5.249 0.207 1.00 0.00 H new ATOM 62 N GLU A 3 9.409 5.647 4.122 1.00 0.00 N ATOM 63 CA GLU A 3 10.865 5.719 4.063 1.00 0.00 C ATOM 64 C GLU A 3 11.364 5.459 2.641 1.00 0.00 C ATOM 65 O GLU A 3 11.638 6.395 1.889 1.00 0.00 O ATOM 66 CB GLU A 3 11.482 4.716 5.042 1.00 0.00 C ATOM 67 CG GLU A 3 12.975 4.494 4.847 1.00 0.00 C ATOM 68 CD GLU A 3 13.744 4.502 6.154 1.00 0.00 C ATOM 69 OE1 GLU A 3 13.759 5.553 6.828 1.00 0.00 O ATOM 70 OE2 GLU A 3 14.330 3.456 6.505 1.00 0.00 O ATOM 0 H GLU A 3 8.956 6.514 4.410 1.00 0.00 H new ATOM 0 HA GLU A 3 11.174 6.724 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.307 5.064 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.967 3.761 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.134 3.541 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.371 5.270 4.192 1.00 0.00 H new ATOM 77 N GLY A 4 11.477 4.185 2.280 1.00 0.00 N ATOM 78 CA GLY A 4 11.939 3.826 0.953 1.00 0.00 C ATOM 79 C GLY A 4 11.197 2.630 0.393 1.00 0.00 C ATOM 80 O GLY A 4 11.442 1.494 0.799 1.00 0.00 O ATOM 0 H GLY A 4 11.256 3.394 2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.812 4.677 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.006 3.605 0.989 1.00 0.00 H new ATOM 84 N LYS A 5 10.281 2.884 -0.535 1.00 0.00 N ATOM 85 CA LYS A 5 9.496 1.816 -1.143 1.00 0.00 C ATOM 86 C LYS A 5 9.723 1.751 -2.648 1.00 0.00 C ATOM 87 O LYS A 5 10.403 2.599 -3.225 1.00 0.00 O ATOM 88 CB LYS A 5 8.010 2.023 -0.850 1.00 0.00 C ATOM 89 CG LYS A 5 7.610 1.616 0.558 1.00 0.00 C ATOM 90 CD LYS A 5 7.694 0.109 0.748 1.00 0.00 C ATOM 91 CE LYS A 5 8.786 -0.267 1.736 1.00 0.00 C ATOM 92 NZ LYS A 5 8.783 -1.725 2.039 1.00 0.00 N ATOM 0 H LYS A 5 10.064 3.818 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 5 9.822 0.871 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.760 3.073 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.423 1.449 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.260 2.111 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.593 1.953 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.735 -0.268 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.889 -0.370 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.757 0.017 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.650 0.296 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.194 -1.885 2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.806 -2.081 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.347 -2.229 1.325 1.00 0.00 H new ATOM 106 N THR A 6 9.142 0.735 -3.277 1.00 0.00 N ATOM 107 CA THR A 6 9.270 0.549 -4.717 1.00 0.00 C ATOM 108 C THR A 6 7.997 0.993 -5.430 1.00 0.00 C ATOM 109 O THR A 6 6.899 0.882 -4.885 1.00 0.00 O ATOM 110 CB THR A 6 9.567 -0.917 -5.038 1.00 0.00 C ATOM 111 OG1 THR A 6 9.351 -1.185 -6.412 1.00 0.00 O ATOM 112 CG2 THR A 6 8.722 -1.888 -4.241 1.00 0.00 C ATOM 0 H THR A 6 8.576 0.026 -2.810 1.00 0.00 H new ATOM 0 HA THR A 6 10.099 1.163 -5.070 1.00 0.00 H new ATOM 0 HB THR A 6 10.613 -1.065 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.548 -2.127 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.983 -2.910 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.906 -1.742 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.668 -1.713 -4.454 1.00 0.00 H new ATOM 120 N CYS A 7 8.151 1.500 -6.648 1.00 0.00 N ATOM 121 CA CYS A 7 7.009 1.965 -7.430 1.00 0.00 C ATOM 122 C CYS A 7 6.985 1.305 -8.806 1.00 0.00 C ATOM 123 O CYS A 7 7.492 1.860 -9.780 1.00 0.00 O ATOM 124 CB CYS A 7 7.036 3.495 -7.584 1.00 0.00 C ATOM 125 SG CYS A 7 8.376 4.336 -6.671 1.00 0.00 S ATOM 0 H CYS A 7 9.052 1.600 -7.115 1.00 0.00 H new ATOM 0 HA CYS A 7 6.104 1.683 -6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.130 3.737 -8.643 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.080 3.896 -7.248 1.00 0.00 H new ATOM 130 N GLY A 8 6.392 0.117 -8.878 1.00 0.00 N ATOM 131 CA GLY A 8 6.312 -0.597 -10.140 1.00 0.00 C ATOM 132 C GLY A 8 5.461 -1.851 -10.046 1.00 0.00 C ATOM 133 O GLY A 8 4.271 -1.818 -10.360 1.00 0.00 O ATOM 0 H GLY A 8 5.966 -0.364 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.897 0.063 -10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.317 -0.867 -10.465 1.00 0.00 H new ATOM 137 N PRO A 9 6.046 -2.982 -9.614 1.00 0.00 N ATOM 138 CA PRO A 9 5.320 -4.249 -9.484 1.00 0.00 C ATOM 139 C PRO A 9 4.253 -4.188 -8.398 1.00 0.00 C ATOM 140 O PRO A 9 4.525 -4.470 -7.231 1.00 0.00 O ATOM 141 CB PRO A 9 6.408 -5.263 -9.103 1.00 0.00 C ATOM 142 CG PRO A 9 7.704 -4.587 -9.398 1.00 0.00 C ATOM 143 CD PRO A 9 7.454 -3.119 -9.216 1.00 0.00 C ATOM 0 HA PRO A 9 4.790 -4.505 -10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.339 -5.536 -8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.306 -6.183 -9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.488 -4.936 -8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.035 -4.804 -10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.616 -2.805 -8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.112 -2.515 -9.840 1.00 0.00 H new ATOM 151 N SER A 10 3.040 -3.813 -8.784 1.00 0.00 N ATOM 152 CA SER A 10 1.939 -3.711 -7.835 1.00 0.00 C ATOM 153 C SER A 10 2.223 -2.624 -6.803 1.00 0.00 C ATOM 154 O SER A 10 2.296 -2.892 -5.604 1.00 0.00 O ATOM 155 CB SER A 10 1.708 -5.053 -7.135 1.00 0.00 C ATOM 156 OG SER A 10 1.519 -6.094 -8.078 1.00 0.00 O ATOM 0 H SER A 10 2.794 -3.575 -9.745 1.00 0.00 H new ATOM 0 HA SER A 10 1.037 -3.444 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.561 -5.286 -6.498 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.835 -4.983 -6.486 1.00 0.00 H new ATOM 0 HG SER A 10 0.934 -6.780 -7.695 1.00 0.00 H new ATOM 162 N SER A 11 2.390 -1.395 -7.281 1.00 0.00 N ATOM 163 CA SER A 11 2.669 -0.268 -6.402 1.00 0.00 C ATOM 164 C SER A 11 1.898 0.974 -6.833 1.00 0.00 C ATOM 165 O SER A 11 1.538 1.125 -8.000 1.00 0.00 O ATOM 166 CB SER A 11 4.168 0.034 -6.383 1.00 0.00 C ATOM 167 OG SER A 11 4.929 -1.160 -6.352 1.00 0.00 O ATOM 0 H SER A 11 2.337 -1.156 -8.271 1.00 0.00 H new ATOM 0 HA SER A 11 2.344 -0.542 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.436 0.617 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.408 0.644 -5.512 1.00 0.00 H new ATOM 0 HG SER A 11 4.594 -1.743 -5.639 1.00 0.00 H new ATOM 173 N PHE A 12 1.655 1.862 -5.877 1.00 0.00 N ATOM 174 CA PHE A 12 0.933 3.101 -6.139 1.00 0.00 C ATOM 175 C PHE A 12 1.713 4.295 -5.593 1.00 0.00 C ATOM 176 O PHE A 12 2.099 4.311 -4.428 1.00 0.00 O ATOM 177 CB PHE A 12 -0.461 3.041 -5.504 1.00 0.00 C ATOM 178 CG PHE A 12 -1.155 4.373 -5.426 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.766 4.919 -6.543 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.195 5.077 -4.233 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.405 6.142 -6.472 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.831 6.301 -4.156 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.437 6.834 -5.277 1.00 0.00 C ATOM 0 H PHE A 12 1.949 1.746 -4.907 1.00 0.00 H new ATOM 0 HA PHE A 12 0.823 3.222 -7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.081 2.353 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.374 2.629 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.743 4.383 -7.480 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.724 4.664 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.879 6.556 -7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.854 6.840 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.935 7.791 -5.219 1.00 0.00 H new ATOM 193 N SER A 13 1.946 5.291 -6.439 1.00 0.00 N ATOM 194 CA SER A 13 2.683 6.477 -6.023 1.00 0.00 C ATOM 195 C SER A 13 1.831 7.349 -5.102 1.00 0.00 C ATOM 196 O SER A 13 0.654 7.586 -5.372 1.00 0.00 O ATOM 197 CB SER A 13 3.138 7.278 -7.244 1.00 0.00 C ATOM 198 OG SER A 13 4.517 7.594 -7.161 1.00 0.00 O ATOM 0 H SER A 13 1.637 5.301 -7.411 1.00 0.00 H new ATOM 0 HA SER A 13 3.565 6.154 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.947 6.704 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.555 8.196 -7.319 1.00 0.00 H new ATOM 0 HG SER A 13 4.784 8.105 -7.954 1.00 0.00 H new ATOM 204 N CYS A 14 2.432 7.822 -4.012 1.00 0.00 N ATOM 205 CA CYS A 14 1.723 8.662 -3.055 1.00 0.00 C ATOM 206 C CYS A 14 1.479 10.057 -3.635 1.00 0.00 C ATOM 207 O CYS A 14 2.419 10.812 -3.879 1.00 0.00 O ATOM 208 CB CYS A 14 2.509 8.765 -1.744 1.00 0.00 C ATOM 209 SG CYS A 14 2.124 7.466 -0.519 1.00 0.00 S ATOM 0 H CYS A 14 3.406 7.637 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 14 0.758 8.200 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.574 8.727 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.314 9.739 -1.295 1.00 0.00 H new ATOM 214 N PRO A 15 0.203 10.411 -3.866 1.00 0.00 N ATOM 215 CA PRO A 15 -0.177 11.715 -4.423 1.00 0.00 C ATOM 216 C PRO A 15 0.399 12.885 -3.634 1.00 0.00 C ATOM 217 O PRO A 15 0.209 12.984 -2.422 1.00 0.00 O ATOM 218 CB PRO A 15 -1.704 11.715 -4.322 1.00 0.00 C ATOM 219 CG PRO A 15 -2.087 10.278 -4.305 1.00 0.00 C ATOM 220 CD PRO A 15 -0.969 9.562 -3.602 1.00 0.00 C ATOM 0 HA PRO A 15 0.203 11.842 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.040 12.224 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.156 12.234 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.033 10.132 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.219 9.897 -5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.163 9.466 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.830 8.554 -3.992 1.00 0.00 H new ATOM 228 N GLY A 16 1.094 13.777 -4.333 1.00 0.00 N ATOM 229 CA GLY A 16 1.677 14.939 -3.687 1.00 0.00 C ATOM 230 C GLY A 16 3.094 14.698 -3.199 1.00 0.00 C ATOM 231 O GLY A 16 3.877 15.638 -3.065 1.00 0.00 O ATOM 0 H GLY A 16 1.264 13.716 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.677 15.775 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.052 15.230 -2.842 1.00 0.00 H new ATOM 235 N THR A 17 3.423 13.440 -2.924 1.00 0.00 N ATOM 236 CA THR A 17 4.752 13.089 -2.440 1.00 0.00 C ATOM 237 C THR A 17 5.459 12.143 -3.403 1.00 0.00 C ATOM 238 O THR A 17 4.865 11.185 -3.898 1.00 0.00 O ATOM 239 CB THR A 17 4.654 12.445 -1.057 1.00 0.00 C ATOM 240 OG1 THR A 17 3.716 11.386 -1.064 1.00 0.00 O ATOM 241 CG2 THR A 17 4.238 13.415 0.026 1.00 0.00 C ATOM 0 H THR A 17 2.788 12.648 -3.028 1.00 0.00 H new ATOM 0 HA THR A 17 5.338 14.006 -2.372 1.00 0.00 H new ATOM 0 HB THR A 17 5.658 12.084 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.429 11.197 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.188 12.894 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.967 14.222 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.259 13.829 -0.213 1.00 0.00 H new ATOM 249 N HIS A 18 6.736 12.414 -3.656 1.00 0.00 N ATOM 250 CA HIS A 18 7.535 11.584 -4.552 1.00 0.00 C ATOM 251 C HIS A 18 7.473 10.118 -4.134 1.00 0.00 C ATOM 252 O HIS A 18 7.649 9.216 -4.953 1.00 0.00 O ATOM 253 CB HIS A 18 8.989 12.061 -4.548 1.00 0.00 C ATOM 254 CG HIS A 18 9.685 11.829 -3.242 1.00 0.00 C ATOM 255 ND1 HIS A 18 9.886 12.806 -2.293 1.00 0.00 N ATOM 256 CD2 HIS A 18 10.217 10.692 -2.728 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.521 12.244 -1.254 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.745 10.962 -1.469 1.00 0.00 N ATOM 0 H HIS A 18 7.240 13.203 -3.252 1.00 0.00 H new ATOM 0 HA HIS A 18 7.126 11.675 -5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.535 11.547 -5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.016 13.125 -4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.229 9.730 -3.218 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.811 12.772 -0.358 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.209 10.305 -0.842 1.00 0.00 H new ATOM 266 N VAL A 19 7.224 9.894 -2.848 1.00 0.00 N ATOM 267 CA VAL A 19 7.140 8.548 -2.301 1.00 0.00 C ATOM 268 C VAL A 19 6.080 7.720 -3.020 1.00 0.00 C ATOM 269 O VAL A 19 5.095 8.259 -3.526 1.00 0.00 O ATOM 270 CB VAL A 19 6.816 8.590 -0.796 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.488 9.291 -0.553 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.803 7.189 -0.208 1.00 0.00 C ATOM 0 H VAL A 19 7.076 10.634 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 19 8.112 8.079 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 19 7.598 9.159 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.277 9.310 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.541 10.312 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.693 8.754 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.572 7.243 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.046 6.589 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.781 6.728 -0.344 1.00 0.00 H new ATOM 282 N CYS A 20 6.284 6.407 -3.055 1.00 0.00 N ATOM 283 CA CYS A 20 5.339 5.506 -3.705 1.00 0.00 C ATOM 284 C CYS A 20 4.977 4.348 -2.784 1.00 0.00 C ATOM 285 O CYS A 20 5.839 3.571 -2.373 1.00 0.00 O ATOM 286 CB CYS A 20 5.897 4.969 -5.033 1.00 0.00 C ATOM 287 SG CYS A 20 7.421 5.785 -5.616 1.00 0.00 S ATOM 0 H CYS A 20 7.094 5.944 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 20 4.438 6.079 -3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.094 3.903 -4.922 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.130 5.074 -5.801 1.00 0.00 H new ATOM 292 N VAL A 21 3.692 4.243 -2.462 1.00 0.00 N ATOM 293 CA VAL A 21 3.205 3.187 -1.589 1.00 0.00 C ATOM 294 C VAL A 21 2.762 1.970 -2.402 1.00 0.00 C ATOM 295 O VAL A 21 1.969 2.092 -3.334 1.00 0.00 O ATOM 296 CB VAL A 21 2.035 3.685 -0.716 1.00 0.00 C ATOM 297 CG1 VAL A 21 0.777 3.895 -1.548 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.772 2.724 0.432 1.00 0.00 C ATOM 0 H VAL A 21 2.969 4.880 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 21 4.028 2.895 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 21 2.319 4.649 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.030 4.246 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.973 4.637 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.487 2.953 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.943 3.095 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.520 1.741 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.665 2.645 1.052 1.00 0.00 H new ATOM 308 N PRO A 22 3.278 0.775 -2.068 1.00 0.00 N ATOM 309 CA PRO A 22 2.937 -0.460 -2.784 1.00 0.00 C ATOM 310 C PRO A 22 1.452 -0.796 -2.695 1.00 0.00 C ATOM 311 O PRO A 22 0.743 -0.291 -1.825 1.00 0.00 O ATOM 312 CB PRO A 22 3.777 -1.532 -2.084 1.00 0.00 C ATOM 313 CG PRO A 22 4.851 -0.779 -1.376 1.00 0.00 C ATOM 314 CD PRO A 22 4.238 0.530 -0.982 1.00 0.00 C ATOM 0 HA PRO A 22 3.142 -0.376 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.174 -2.111 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.197 -2.236 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.201 -1.326 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.715 -0.628 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.746 0.471 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.983 1.322 -0.914 1.00 0.00 H new ATOM 322 N GLU A 23 0.986 -1.646 -3.607 1.00 0.00 N ATOM 323 CA GLU A 23 -0.419 -2.043 -3.637 1.00 0.00 C ATOM 324 C GLU A 23 -0.844 -2.673 -2.314 1.00 0.00 C ATOM 325 O GLU A 23 -1.917 -2.375 -1.797 1.00 0.00 O ATOM 326 CB GLU A 23 -0.678 -3.013 -4.792 1.00 0.00 C ATOM 327 CG GLU A 23 -1.966 -2.726 -5.545 1.00 0.00 C ATOM 328 CD GLU A 23 -2.230 -3.728 -6.652 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.207 -4.945 -6.370 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.460 -3.296 -7.802 1.00 0.00 O ATOM 0 H GLU A 23 1.560 -2.073 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.016 -1.144 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.159 -2.968 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.713 -4.030 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.801 -2.735 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.918 -1.724 -5.971 1.00 0.00 H new ATOM 337 N ARG A 24 0.000 -3.536 -1.760 1.00 0.00 N ATOM 338 CA ARG A 24 -0.315 -4.180 -0.490 1.00 0.00 C ATOM 339 C ARG A 24 -0.496 -3.128 0.605 1.00 0.00 C ATOM 340 O ARG A 24 -1.133 -3.381 1.626 1.00 0.00 O ATOM 341 CB ARG A 24 0.784 -5.183 -0.106 1.00 0.00 C ATOM 342 CG ARG A 24 0.897 -5.462 1.389 1.00 0.00 C ATOM 343 CD ARG A 24 -0.331 -6.182 1.923 1.00 0.00 C ATOM 344 NE ARG A 24 -0.021 -6.997 3.096 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.925 -7.376 3.996 1.00 0.00 C ATOM 346 NH1 ARG A 24 -2.197 -7.019 3.864 1.00 0.00 N ATOM 347 NH2 ARG A 24 -0.557 -8.118 5.032 1.00 0.00 N ATOM 0 H ARG A 24 0.897 -3.804 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.250 -4.729 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.596 -6.123 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.742 -4.807 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.784 -6.066 1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.029 -4.522 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.096 -5.450 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.748 -6.816 1.141 1.00 0.00 H new ATOM 0 HE ARG A 24 0.946 -7.293 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.487 -6.450 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.884 -7.313 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.418 -8.398 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.249 -8.409 5.722 1.00 0.00 H new ATOM 361 N TRP A 25 0.070 -1.947 0.381 1.00 0.00 N ATOM 362 CA TRP A 25 -0.025 -0.860 1.343 1.00 0.00 C ATOM 363 C TRP A 25 -1.192 0.071 1.017 1.00 0.00 C ATOM 364 O TRP A 25 -1.275 1.178 1.545 1.00 0.00 O ATOM 365 CB TRP A 25 1.277 -0.062 1.359 1.00 0.00 C ATOM 366 CG TRP A 25 2.467 -0.853 1.813 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.628 -2.208 1.755 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.667 -0.331 2.390 1.00 0.00 C ATOM 369 NE1 TRP A 25 3.855 -2.559 2.264 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.511 -1.424 2.661 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.107 0.956 2.705 1.00 0.00 C ATOM 372 CZ2 TRP A 25 5.772 -1.266 3.231 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.357 1.112 3.271 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.178 0.007 3.528 1.00 0.00 C ATOM 0 H TRP A 25 0.600 -1.720 -0.460 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.200 -1.297 2.326 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.469 0.322 0.357 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.155 0.801 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.898 -2.902 1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.218 -3.510 2.335 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.481 1.814 2.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.406 -2.117 3.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.707 2.103 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.151 0.162 3.970 1.00 0.00 H new ATOM 385 N LEU A 26 -2.092 -0.377 0.147 1.00 0.00 N ATOM 386 CA LEU A 26 -3.243 0.430 -0.232 1.00 0.00 C ATOM 387 C LEU A 26 -4.352 0.310 0.804 1.00 0.00 C ATOM 388 O LEU A 26 -4.718 1.289 1.447 1.00 0.00 O ATOM 389 CB LEU A 26 -3.762 0.009 -1.609 1.00 0.00 C ATOM 390 CG LEU A 26 -3.276 0.866 -2.780 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.790 1.170 -2.652 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.568 0.168 -4.099 1.00 0.00 C ATOM 0 H LEU A 26 -2.046 -1.290 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.925 1.472 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.468 -1.025 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.852 0.032 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.815 1.813 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.469 1.780 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.608 1.711 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.227 0.237 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.217 0.788 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.054 -0.793 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.642 0.008 -4.196 1.00 0.00 H new ATOM 404 N CYS A 27 -4.884 -0.896 0.957 1.00 0.00 N ATOM 405 CA CYS A 27 -5.959 -1.143 1.913 1.00 0.00 C ATOM 406 C CYS A 27 -5.497 -2.055 3.045 1.00 0.00 C ATOM 407 O CYS A 27 -6.218 -2.967 3.451 1.00 0.00 O ATOM 408 CB CYS A 27 -7.163 -1.768 1.207 1.00 0.00 C ATOM 409 SG CYS A 27 -7.533 -1.043 -0.420 1.00 0.00 S ATOM 0 H CYS A 27 -4.589 -1.719 0.432 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.248 -0.184 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.984 -2.836 1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.039 -1.664 1.847 1.00 0.00 H new ATOM 414 N ASP A 28 -4.299 -1.804 3.561 1.00 0.00 N ATOM 415 CA ASP A 28 -3.764 -2.609 4.651 1.00 0.00 C ATOM 416 C ASP A 28 -4.476 -2.283 5.963 1.00 0.00 C ATOM 417 O ASP A 28 -4.469 -3.082 6.899 1.00 0.00 O ATOM 418 CB ASP A 28 -2.255 -2.388 4.795 1.00 0.00 C ATOM 419 CG ASP A 28 -1.909 -1.018 5.344 1.00 0.00 C ATOM 420 OD1 ASP A 28 -2.820 -0.170 5.449 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.724 -0.789 5.665 1.00 0.00 O ATOM 0 H ASP A 28 -3.684 -1.055 3.244 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.939 -3.659 4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.842 -3.152 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.780 -2.515 3.822 1.00 0.00 H new ATOM 426 N GLY A 29 -5.094 -1.104 6.020 1.00 0.00 N ATOM 427 CA GLY A 29 -5.805 -0.696 7.216 1.00 0.00 C ATOM 428 C GLY A 29 -5.176 0.506 7.897 1.00 0.00 C ATOM 429 O GLY A 29 -5.363 0.713 9.096 1.00 0.00 O ATOM 0 H GLY A 29 -5.113 -0.426 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.837 -0.461 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.835 -1.530 7.917 1.00 0.00 H new ATOM 433 N ASP A 30 -4.432 1.301 7.134 1.00 0.00 N ATOM 434 CA ASP A 30 -3.779 2.488 7.675 1.00 0.00 C ATOM 435 C ASP A 30 -3.325 3.414 6.551 1.00 0.00 C ATOM 436 O ASP A 30 -2.919 2.957 5.488 1.00 0.00 O ATOM 437 CB ASP A 30 -2.580 2.089 8.537 1.00 0.00 C ATOM 438 CG ASP A 30 -2.980 1.734 9.955 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.554 2.603 10.646 1.00 0.00 O ATOM 440 OD2 ASP A 30 -2.719 0.587 10.376 1.00 0.00 O ATOM 0 H ASP A 30 -4.266 1.145 6.140 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.501 3.020 8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.075 1.237 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.863 2.910 8.559 1.00 0.00 H new ATOM 445 N LYS A 31 -3.398 4.718 6.790 1.00 0.00 N ATOM 446 CA LYS A 31 -2.995 5.697 5.786 1.00 0.00 C ATOM 447 C LYS A 31 -1.477 5.832 5.725 1.00 0.00 C ATOM 448 O LYS A 31 -0.873 6.531 6.538 1.00 0.00 O ATOM 449 CB LYS A 31 -3.625 7.056 6.084 1.00 0.00 C ATOM 450 CG LYS A 31 -5.141 7.049 5.999 1.00 0.00 C ATOM 451 CD LYS A 31 -5.723 8.424 6.286 1.00 0.00 C ATOM 452 CE LYS A 31 -6.900 8.735 5.374 1.00 0.00 C ATOM 453 NZ LYS A 31 -8.125 9.079 6.147 1.00 0.00 N ATOM 0 H LYS A 31 -3.731 5.121 7.666 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.347 5.344 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.326 7.376 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.232 7.792 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.449 6.723 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.543 6.327 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.045 8.474 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.950 9.181 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.641 9.565 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.103 7.874 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.904 9.284 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.388 8.278 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.940 9.916 6.736 1.00 0.00 H new ATOM 467 N ASP A 32 -0.869 5.162 4.752 1.00 0.00 N ATOM 468 CA ASP A 32 0.578 5.210 4.579 1.00 0.00 C ATOM 469 C ASP A 32 0.997 6.507 3.896 1.00 0.00 C ATOM 470 O ASP A 32 2.016 7.102 4.244 1.00 0.00 O ATOM 471 CB ASP A 32 1.061 4.012 3.759 1.00 0.00 C ATOM 472 CG ASP A 32 1.711 2.945 4.618 1.00 0.00 C ATOM 473 OD1 ASP A 32 2.189 3.280 5.722 1.00 0.00 O ATOM 474 OD2 ASP A 32 1.744 1.773 4.186 1.00 0.00 O ATOM 0 H ASP A 32 -1.356 4.579 4.071 1.00 0.00 H new ATOM 0 HA ASP A 32 1.037 5.170 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.217 3.578 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.773 4.353 3.008 1.00 0.00 H new ATOM 479 N CYS A 33 0.202 6.943 2.922 1.00 0.00 N ATOM 480 CA CYS A 33 0.495 8.173 2.196 1.00 0.00 C ATOM 481 C CYS A 33 0.328 9.382 3.108 1.00 0.00 C ATOM 482 O CYS A 33 0.060 9.240 4.302 1.00 0.00 O ATOM 483 CB CYS A 33 -0.424 8.311 0.977 1.00 0.00 C ATOM 484 SG CYS A 33 0.093 7.360 -0.496 1.00 0.00 S ATOM 0 H CYS A 33 -0.646 6.464 2.619 1.00 0.00 H new ATOM 0 HA CYS A 33 1.529 8.128 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.428 7.995 1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.487 9.365 0.706 1.00 0.00 H new ATOM 489 N ALA A 34 0.487 10.570 2.540 1.00 0.00 N ATOM 490 CA ALA A 34 0.354 11.803 3.302 1.00 0.00 C ATOM 491 C ALA A 34 -1.090 12.034 3.734 1.00 0.00 C ATOM 492 O ALA A 34 -1.347 12.520 4.836 1.00 0.00 O ATOM 493 CB ALA A 34 0.852 12.979 2.479 1.00 0.00 C ATOM 0 H ALA A 34 0.708 10.705 1.554 1.00 0.00 H new ATOM 0 HA ALA A 34 0.962 11.713 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.749 13.897 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.901 12.827 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.264 13.058 1.564 1.00 0.00 H new ATOM 499 N ASP A 35 -2.029 11.690 2.858 1.00 0.00 N ATOM 500 CA ASP A 35 -3.448 11.869 3.152 1.00 0.00 C ATOM 501 C ASP A 35 -4.225 10.567 2.968 1.00 0.00 C ATOM 502 O ASP A 35 -5.388 10.583 2.564 1.00 0.00 O ATOM 503 CB ASP A 35 -4.039 12.958 2.254 1.00 0.00 C ATOM 504 CG ASP A 35 -3.255 14.254 2.326 1.00 0.00 C ATOM 505 OD1 ASP A 35 -2.013 14.204 2.208 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.884 15.319 2.501 1.00 0.00 O ATOM 0 H ASP A 35 -1.835 11.287 1.941 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.536 12.171 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.058 12.605 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.072 13.145 2.546 1.00 0.00 H new ATOM 511 N GLY A 36 -3.584 9.443 3.272 1.00 0.00 N ATOM 512 CA GLY A 36 -4.244 8.157 3.136 1.00 0.00 C ATOM 513 C GLY A 36 -4.611 7.834 1.703 1.00 0.00 C ATOM 514 O GLY A 36 -5.542 7.069 1.452 1.00 0.00 O ATOM 0 H GLY A 36 -2.622 9.399 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.590 7.376 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.146 8.150 3.748 1.00 0.00 H new ATOM 518 N ALA A 37 -3.874 8.410 0.760 1.00 0.00 N ATOM 519 CA ALA A 37 -4.125 8.171 -0.655 1.00 0.00 C ATOM 520 C ALA A 37 -4.092 6.679 -0.966 1.00 0.00 C ATOM 521 O ALA A 37 -4.863 6.189 -1.791 1.00 0.00 O ATOM 522 CB ALA A 37 -3.107 8.911 -1.500 1.00 0.00 C ATOM 0 H ALA A 37 -3.099 9.045 0.950 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.120 8.546 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.305 8.724 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.178 9.980 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.105 8.561 -1.252 1.00 0.00 H new ATOM 528 N ASP A 38 -3.201 5.960 -0.290 1.00 0.00 N ATOM 529 CA ASP A 38 -3.078 4.521 -0.485 1.00 0.00 C ATOM 530 C ASP A 38 -4.385 3.829 -0.120 1.00 0.00 C ATOM 531 O ASP A 38 -4.834 2.918 -0.815 1.00 0.00 O ATOM 532 CB ASP A 38 -1.934 3.964 0.363 1.00 0.00 C ATOM 533 CG ASP A 38 -2.166 4.160 1.846 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.069 5.314 2.316 1.00 0.00 O ATOM 535 OD2 ASP A 38 -2.443 3.161 2.539 1.00 0.00 O ATOM 0 H ASP A 38 -2.555 6.350 0.396 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.858 4.330 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.815 2.901 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.002 4.452 0.076 1.00 0.00 H new ATOM 540 N GLU A 39 -4.999 4.283 0.969 1.00 0.00 N ATOM 541 CA GLU A 39 -6.267 3.723 1.419 1.00 0.00 C ATOM 542 C GLU A 39 -7.432 4.338 0.645 1.00 0.00 C ATOM 543 O GLU A 39 -8.584 3.937 0.815 1.00 0.00 O ATOM 544 CB GLU A 39 -6.454 3.950 2.922 1.00 0.00 C ATOM 545 CG GLU A 39 -5.222 3.617 3.752 1.00 0.00 C ATOM 546 CD GLU A 39 -5.049 2.126 3.978 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.038 1.465 4.359 1.00 0.00 O ATOM 548 OE2 GLU A 39 -3.923 1.619 3.771 1.00 0.00 O ATOM 0 H GLU A 39 -4.639 5.036 1.555 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.250 2.650 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.724 4.992 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.290 3.343 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.336 4.009 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.293 4.120 4.716 1.00 0.00 H new ATOM 555 N SER A 40 -7.122 5.312 -0.210 1.00 0.00 N ATOM 556 CA SER A 40 -8.135 5.980 -1.015 1.00 0.00 C ATOM 557 C SER A 40 -8.307 5.282 -2.356 1.00 0.00 C ATOM 558 O SER A 40 -7.495 4.441 -2.741 1.00 0.00 O ATOM 559 CB SER A 40 -7.756 7.445 -1.236 1.00 0.00 C ATOM 560 OG SER A 40 -7.454 8.086 -0.009 1.00 0.00 O ATOM 0 H SER A 40 -6.173 5.654 -0.361 1.00 0.00 H new ATOM 0 HA SER A 40 -9.081 5.934 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.895 7.504 -1.902 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.577 7.966 -1.729 1.00 0.00 H new ATOM 0 HG SER A 40 -6.725 7.608 0.439 1.00 0.00 H new ATOM 566 N ILE A 41 -9.372 5.637 -3.060 1.00 0.00 N ATOM 567 CA ILE A 41 -9.661 5.051 -4.357 1.00 0.00 C ATOM 568 C ILE A 41 -8.620 5.462 -5.395 1.00 0.00 C ATOM 569 O ILE A 41 -8.433 4.782 -6.404 1.00 0.00 O ATOM 570 CB ILE A 41 -11.063 5.457 -4.842 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.506 4.547 -5.983 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.084 6.917 -5.270 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.186 3.281 -5.510 1.00 0.00 C ATOM 0 H ILE A 41 -10.052 6.332 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.626 3.968 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.765 5.343 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.188 5.096 -6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.637 4.281 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.085 7.182 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.808 7.548 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.374 7.068 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.475 2.680 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.499 2.711 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.074 3.539 -4.933 1.00 0.00 H new ATOM 585 N ALA A 42 -7.941 6.577 -5.137 1.00 0.00 N ATOM 586 CA ALA A 42 -6.914 7.077 -6.044 1.00 0.00 C ATOM 587 C ALA A 42 -5.920 5.977 -6.407 1.00 0.00 C ATOM 588 O ALA A 42 -5.310 6.003 -7.476 1.00 0.00 O ATOM 589 CB ALA A 42 -6.189 8.253 -5.412 1.00 0.00 C ATOM 0 H ALA A 42 -8.084 7.151 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.400 7.409 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.424 8.619 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.902 9.051 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.720 7.934 -4.481 1.00 0.00 H new ATOM 595 N ALA A 43 -5.766 5.014 -5.505 1.00 0.00 N ATOM 596 CA ALA A 43 -4.851 3.900 -5.718 1.00 0.00 C ATOM 597 C ALA A 43 -5.597 2.651 -6.178 1.00 0.00 C ATOM 598 O ALA A 43 -5.001 1.732 -6.739 1.00 0.00 O ATOM 599 CB ALA A 43 -4.081 3.611 -4.440 1.00 0.00 C ATOM 0 H ALA A 43 -6.265 4.983 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.151 4.180 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.399 2.777 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.511 4.494 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.780 3.354 -3.644 1.00 0.00 H new ATOM 605 N GLY A 44 -6.902 2.621 -5.927 1.00 0.00 N ATOM 606 CA GLY A 44 -7.705 1.477 -6.311 1.00 0.00 C ATOM 607 C GLY A 44 -8.134 0.667 -5.107 1.00 0.00 C ATOM 608 O GLY A 44 -8.233 -0.558 -5.172 1.00 0.00 O ATOM 0 H GLY A 44 -7.417 3.370 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.587 1.817 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.135 0.844 -6.992 1.00 0.00 H new ATOM 612 N CYS A 45 -8.377 1.360 -4.000 1.00 0.00 N ATOM 613 CA CYS A 45 -8.787 0.710 -2.761 1.00 0.00 C ATOM 614 C CYS A 45 -10.276 0.360 -2.770 1.00 0.00 C ATOM 615 O CYS A 45 -10.793 -0.195 -1.801 1.00 0.00 O ATOM 616 CB CYS A 45 -8.469 1.616 -1.570 1.00 0.00 C ATOM 617 SG CYS A 45 -8.365 0.752 0.031 1.00 0.00 S ATOM 0 H CYS A 45 -8.297 2.375 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.229 -0.222 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.522 2.122 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.235 2.388 -1.503 1.00 0.00 H new ATOM 622 N LEU A 46 -10.960 0.683 -3.865 1.00 0.00 N ATOM 623 CA LEU A 46 -12.386 0.396 -3.992 1.00 0.00 C ATOM 624 C LEU A 46 -13.213 1.205 -2.994 1.00 0.00 C ATOM 625 O LEU A 46 -14.395 0.928 -2.791 1.00 0.00 O ATOM 626 CB LEU A 46 -12.653 -1.101 -3.789 1.00 0.00 C ATOM 627 CG LEU A 46 -11.736 -2.053 -4.569 1.00 0.00 C ATOM 628 CD1 LEU A 46 -11.293 -1.434 -5.888 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.530 -2.439 -3.726 1.00 0.00 C ATOM 0 H LEU A 46 -10.549 1.144 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.688 0.684 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.561 -1.327 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.685 -1.309 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.303 -2.955 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.645 -2.132 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.168 -1.216 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.748 -0.510 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.890 -3.114 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.968 -1.543 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.866 -2.937 -2.817 1.00 0.00 H new ATOM 641 N TYR A 47 -12.593 2.207 -2.375 1.00 0.00 N ATOM 642 CA TYR A 47 -13.284 3.050 -1.405 1.00 0.00 C ATOM 643 C TYR A 47 -12.360 4.139 -0.871 1.00 0.00 C ATOM 644 O TYR A 47 -11.231 4.293 -1.338 1.00 0.00 O ATOM 645 CB TYR A 47 -13.817 2.204 -0.246 1.00 0.00 C ATOM 646 CG TYR A 47 -12.737 1.489 0.532 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.918 2.181 1.415 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.537 0.123 0.384 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.930 1.530 2.129 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.552 -0.535 1.095 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.752 0.173 1.966 1.00 0.00 C ATOM 652 OH TYR A 47 -9.769 -0.478 2.676 1.00 0.00 O ATOM 0 H TYR A 47 -11.615 2.454 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.122 3.527 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.377 2.847 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.518 1.467 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.055 3.244 1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.162 -0.434 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.300 2.082 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.410 -1.598 0.969 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.135 -0.793 3.529 1.00 0.00 H new ATOM 662 N ASN A 48 -12.848 4.895 0.108 1.00 0.00 N ATOM 663 CA ASN A 48 -12.069 5.975 0.704 1.00 0.00 C ATOM 664 C ASN A 48 -12.865 6.664 1.812 1.00 0.00 C ATOM 665 O ASN A 48 -14.082 6.503 1.904 1.00 0.00 O ATOM 666 CB ASN A 48 -11.663 6.983 -0.378 1.00 0.00 C ATOM 667 CG ASN A 48 -11.132 8.289 0.186 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.798 9.322 0.122 1.00 0.00 O ATOM 669 ND2 ASN A 48 -9.926 8.250 0.741 1.00 0.00 N ATOM 0 H ASN A 48 -13.780 4.779 0.506 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.167 5.555 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.901 6.534 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.525 7.193 -1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.518 9.098 1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.408 7.372 0.773 1.00 0.00 H new ATOM 676 N SER A 49 -12.167 7.429 2.652 1.00 0.00 N ATOM 677 CA SER A 49 -12.798 8.147 3.759 1.00 0.00 C ATOM 678 C SER A 49 -13.054 7.213 4.937 1.00 0.00 C ATOM 679 O SER A 49 -12.423 7.337 5.987 1.00 0.00 O ATOM 680 CB SER A 49 -14.110 8.799 3.311 1.00 0.00 C ATOM 681 OG SER A 49 -14.234 10.110 3.835 1.00 0.00 O ATOM 0 H SER A 49 -11.159 7.567 2.586 1.00 0.00 H new ATOM 0 HA SER A 49 -12.112 8.931 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.149 8.834 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.953 8.191 3.641 1.00 0.00 H new ATOM 0 HG SER A 49 -15.079 10.504 3.533 1.00 0.00 H new ATOM 687 N THR A 50 -13.979 6.276 4.757 1.00 0.00 N ATOM 688 CA THR A 50 -14.309 5.323 5.809 1.00 0.00 C ATOM 689 C THR A 50 -13.089 4.481 6.174 1.00 0.00 C ATOM 690 O THR A 50 -12.403 4.761 7.156 1.00 0.00 O ATOM 691 CB THR A 50 -15.462 4.419 5.366 1.00 0.00 C ATOM 692 OG1 THR A 50 -15.118 3.705 4.193 1.00 0.00 O ATOM 693 CG2 THR A 50 -16.741 5.176 5.083 1.00 0.00 C ATOM 0 H THR A 50 -14.512 6.157 3.895 1.00 0.00 H new ATOM 0 HA THR A 50 -14.620 5.881 6.692 1.00 0.00 H new ATOM 0 HB THR A 50 -15.636 3.743 6.203 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.867 3.132 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.517 4.476 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.062 5.699 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 50 -16.567 5.900 4.287 1.00 0.00 H new ATOM 701 N GLY A 51 -12.821 3.452 5.372 1.00 0.00 N ATOM 702 CA GLY A 51 -11.680 2.587 5.622 1.00 0.00 C ATOM 703 C GLY A 51 -11.573 2.156 7.073 1.00 0.00 C ATOM 704 O GLY A 51 -12.584 2.000 7.758 1.00 0.00 O ATOM 0 H GLY A 51 -13.375 3.202 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.756 1.702 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.766 3.107 5.334 1.00 0.00 H new ATOM 708 N SER A 52 -10.344 1.964 7.541 1.00 0.00 N ATOM 709 CA SER A 52 -10.105 1.550 8.918 1.00 0.00 C ATOM 710 C SER A 52 -10.819 0.237 9.225 1.00 0.00 C ATOM 711 O SER A 52 -11.828 0.216 9.930 1.00 0.00 O ATOM 712 CB SER A 52 -10.571 2.638 9.887 1.00 0.00 C ATOM 713 OG SER A 52 -9.881 3.854 9.659 1.00 0.00 O ATOM 0 H SER A 52 -9.498 2.089 6.986 1.00 0.00 H new ATOM 0 HA SER A 52 -9.033 1.396 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.643 2.797 9.771 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.407 2.310 10.913 1.00 0.00 H new ATOM 0 HG SER A 52 -10.198 4.533 10.290 1.00 0.00 H new ATOM 719 N GLY A 53 -10.288 -0.858 8.690 1.00 0.00 N ATOM 720 CA GLY A 53 -10.886 -2.160 8.917 1.00 0.00 C ATOM 721 C GLY A 53 -11.531 -2.729 7.668 1.00 0.00 C ATOM 722 O GLY A 53 -12.573 -3.379 7.742 1.00 0.00 O ATOM 0 H GLY A 53 -9.454 -0.866 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.121 -2.850 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.635 -2.080 9.705 1.00 0.00 H new ATOM 726 N SER A 54 -10.910 -2.483 6.519 1.00 0.00 N ATOM 727 CA SER A 54 -11.430 -2.976 5.248 1.00 0.00 C ATOM 728 C SER A 54 -12.811 -2.394 4.960 1.00 0.00 C ATOM 729 O SER A 54 -13.767 -2.644 5.695 1.00 0.00 O ATOM 730 CB SER A 54 -11.494 -4.505 5.257 1.00 0.00 C ATOM 731 OG SER A 54 -12.733 -4.967 5.769 1.00 0.00 O ATOM 0 H SER A 54 -10.047 -1.946 6.442 1.00 0.00 H new ATOM 0 HA SER A 54 -10.752 -2.655 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.353 -4.883 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.678 -4.901 5.861 1.00 0.00 H new ATOM 0 HG SER A 54 -13.122 -4.282 6.353 1.00 0.00 H new ATOM 737 N GLY A 55 -12.908 -1.617 3.887 1.00 0.00 N ATOM 738 CA GLY A 55 -14.175 -1.013 3.520 1.00 0.00 C ATOM 739 C GLY A 55 -14.925 -1.823 2.481 1.00 0.00 C ATOM 740 O GLY A 55 -16.155 -1.799 2.434 1.00 0.00 O ATOM 0 H GLY A 55 -12.131 -1.395 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.795 -0.907 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.997 -0.009 3.134 1.00 0.00 H new ATOM 744 N SER A 56 -14.182 -2.541 1.645 1.00 0.00 N ATOM 745 CA SER A 56 -14.783 -3.362 0.600 1.00 0.00 C ATOM 746 C SER A 56 -15.050 -4.776 1.106 1.00 0.00 C ATOM 747 O SER A 56 -16.167 -5.282 1.005 1.00 0.00 O ATOM 748 CB SER A 56 -13.873 -3.409 -0.628 1.00 0.00 C ATOM 749 OG SER A 56 -14.230 -4.476 -1.489 1.00 0.00 O ATOM 0 H SER A 56 -13.163 -2.571 1.671 1.00 0.00 H new ATOM 0 HA SER A 56 -15.735 -2.910 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.938 -2.465 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.836 -3.525 -0.312 1.00 0.00 H new ATOM 0 HG SER A 56 -13.634 -4.482 -2.267 1.00 0.00 H new ATOM 755 N GLY A 57 -14.016 -5.410 1.651 1.00 0.00 N ATOM 756 CA GLY A 57 -14.161 -6.760 2.165 1.00 0.00 C ATOM 757 C GLY A 57 -13.048 -7.681 1.704 1.00 0.00 C ATOM 758 O GLY A 57 -11.875 -7.309 1.730 1.00 0.00 O ATOM 0 H GLY A 57 -13.081 -5.013 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.176 -6.731 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.120 -7.166 1.844 1.00 0.00 H new ATOM 762 N SER A 129 -13.416 -8.887 1.283 1.00 0.00 N ATOM 763 CA SER A 129 -12.441 -9.866 0.815 1.00 0.00 C ATOM 764 C SER A 129 -11.654 -9.328 -0.375 1.00 0.00 C ATOM 765 O SER A 129 -10.426 -9.408 -0.406 1.00 0.00 O ATOM 766 CB SER A 129 -13.140 -11.172 0.431 1.00 0.00 C ATOM 767 OG SER A 129 -13.904 -11.678 1.512 1.00 0.00 O ATOM 0 H SER A 129 -14.383 -9.210 1.256 1.00 0.00 H new ATOM 0 HA SER A 129 -11.743 -10.061 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.788 -11.002 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.397 -11.911 0.129 1.00 0.00 H new ATOM 0 HG SER A 129 -14.342 -12.512 1.241 1.00 0.00 H new ATOM 773 N THR A 130 -12.368 -8.778 -1.353 1.00 0.00 N ATOM 774 CA THR A 130 -11.734 -8.226 -2.546 1.00 0.00 C ATOM 775 C THR A 130 -10.627 -7.245 -2.173 1.00 0.00 C ATOM 776 O THR A 130 -9.644 -7.097 -2.900 1.00 0.00 O ATOM 777 CB THR A 130 -12.772 -7.529 -3.426 1.00 0.00 C ATOM 778 OG1 THR A 130 -14.008 -8.220 -3.385 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.352 -7.426 -4.876 1.00 0.00 C ATOM 0 H THR A 130 -13.385 -8.703 -1.343 1.00 0.00 H new ATOM 0 HA THR A 130 -11.290 -9.051 -3.103 1.00 0.00 H new ATOM 0 HB THR A 130 -12.869 -6.522 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.660 -7.758 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 130 -13.132 -6.922 -5.446 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.425 -6.857 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 130 -12.195 -8.426 -5.281 1.00 0.00 H new ATOM 787 N GLU A 131 -10.792 -6.580 -1.035 1.00 0.00 N ATOM 788 CA GLU A 131 -9.804 -5.618 -0.563 1.00 0.00 C ATOM 789 C GLU A 131 -8.482 -6.311 -0.259 1.00 0.00 C ATOM 790 O GLU A 131 -7.445 -5.969 -0.827 1.00 0.00 O ATOM 791 CB GLU A 131 -10.317 -4.900 0.686 1.00 0.00 C ATOM 792 CG GLU A 131 -9.397 -3.792 1.172 1.00 0.00 C ATOM 793 CD GLU A 131 -8.584 -4.200 2.385 1.00 0.00 C ATOM 794 OE1 GLU A 131 -7.874 -5.224 2.307 1.00 0.00 O ATOM 795 OE2 GLU A 131 -8.658 -3.495 3.414 1.00 0.00 O ATOM 0 H GLU A 131 -11.600 -6.690 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.638 -4.883 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.300 -4.478 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.448 -5.629 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.721 -3.506 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.992 -2.912 1.417 1.00 0.00 H new ATOM 802 N GLU A 132 -8.527 -7.289 0.639 1.00 0.00 N ATOM 803 CA GLU A 132 -7.332 -8.034 1.017 1.00 0.00 C ATOM 804 C GLU A 132 -6.797 -8.840 -0.163 1.00 0.00 C ATOM 805 O GLU A 132 -5.610 -9.154 -0.223 1.00 0.00 O ATOM 806 CB GLU A 132 -7.633 -8.970 2.191 1.00 0.00 C ATOM 807 CG GLU A 132 -8.522 -8.348 3.257 1.00 0.00 C ATOM 808 CD GLU A 132 -7.910 -8.417 4.643 1.00 0.00 C ATOM 809 OE1 GLU A 132 -7.711 -9.542 5.149 1.00 0.00 O ATOM 810 OE2 GLU A 132 -7.631 -7.347 5.223 1.00 0.00 O ATOM 0 H GLU A 132 -9.378 -7.584 1.118 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.571 -7.315 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.113 -9.872 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.693 -9.278 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.715 -7.306 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.485 -8.858 3.264 1.00 0.00 H new ATOM 817 N LEU A 133 -7.682 -9.177 -1.096 1.00 0.00 N ATOM 818 CA LEU A 133 -7.300 -9.949 -2.271 1.00 0.00 C ATOM 819 C LEU A 133 -6.202 -9.245 -3.066 1.00 0.00 C ATOM 820 O LEU A 133 -5.052 -9.684 -3.078 1.00 0.00 O ATOM 821 CB LEU A 133 -8.522 -10.186 -3.158 1.00 0.00 C ATOM 822 CG LEU A 133 -9.189 -11.550 -2.987 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.627 -11.753 -1.545 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.373 -11.684 -3.932 1.00 0.00 C ATOM 0 H LEU A 133 -8.670 -8.927 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.907 -10.908 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.259 -9.410 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.223 -10.072 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.462 -12.324 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.100 -12.730 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.758 -11.700 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.338 -10.975 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.837 -12.661 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.102 -10.903 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.030 -11.584 -4.962 1.00 0.00 H new ATOM 836 N ARG A 134 -6.568 -8.155 -3.734 1.00 0.00 N ATOM 837 CA ARG A 134 -5.618 -7.391 -4.539 1.00 0.00 C ATOM 838 C ARG A 134 -4.427 -6.933 -3.700 1.00 0.00 C ATOM 839 O ARG A 134 -3.295 -6.889 -4.180 1.00 0.00 O ATOM 840 CB ARG A 134 -6.313 -6.179 -5.166 1.00 0.00 C ATOM 841 CG ARG A 134 -6.702 -5.104 -4.159 1.00 0.00 C ATOM 842 CD ARG A 134 -7.795 -4.187 -4.695 1.00 0.00 C ATOM 843 NE ARG A 134 -7.756 -4.060 -6.152 1.00 0.00 N ATOM 844 CZ ARG A 134 -8.460 -4.824 -6.987 1.00 0.00 C ATOM 845 NH1 ARG A 134 -9.250 -5.784 -6.520 1.00 0.00 N ATOM 846 NH2 ARG A 134 -8.369 -4.630 -8.296 1.00 0.00 N ATOM 0 H ARG A 134 -7.517 -7.780 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 134 -5.247 -8.042 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.653 -5.741 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.209 -6.515 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.045 -5.577 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.824 -4.511 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.769 -4.573 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.690 -3.200 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.153 -3.342 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.322 -5.942 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -9.785 -6.364 -7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.761 -3.897 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -8.907 -5.214 -8.937 1.00 0.00 H new ATOM 860 N VAL A 135 -4.697 -6.590 -2.448 1.00 0.00 N ATOM 861 CA VAL A 135 -3.660 -6.128 -1.532 1.00 0.00 C ATOM 862 C VAL A 135 -2.747 -7.276 -1.106 1.00 0.00 C ATOM 863 O VAL A 135 -1.562 -7.076 -0.847 1.00 0.00 O ATOM 864 CB VAL A 135 -4.290 -5.481 -0.282 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.225 -4.954 0.667 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.241 -4.368 -0.691 1.00 0.00 C ATOM 0 H VAL A 135 -5.631 -6.623 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 135 -3.063 -5.385 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.853 -6.249 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.703 -4.504 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.585 -5.776 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.622 -4.203 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.680 -3.919 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.693 -3.608 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.033 -4.778 -1.318 1.00 0.00 H new ATOM 876 N ARG A 136 -3.312 -8.476 -1.030 1.00 0.00 N ATOM 877 CA ARG A 136 -2.558 -9.660 -0.627 1.00 0.00 C ATOM 878 C ARG A 136 -1.415 -9.958 -1.594 1.00 0.00 C ATOM 879 O ARG A 136 -0.305 -10.277 -1.172 1.00 0.00 O ATOM 880 CB ARG A 136 -3.488 -10.872 -0.539 1.00 0.00 C ATOM 881 CG ARG A 136 -4.043 -11.116 0.854 1.00 0.00 C ATOM 882 CD ARG A 136 -5.457 -11.675 0.802 1.00 0.00 C ATOM 883 NE ARG A 136 -5.521 -13.049 1.296 1.00 0.00 N ATOM 884 CZ ARG A 136 -5.158 -14.111 0.580 1.00 0.00 C ATOM 885 NH1 ARG A 136 -4.707 -13.963 -0.659 1.00 0.00 N ATOM 886 NH2 ARG A 136 -5.246 -15.326 1.105 1.00 0.00 N ATOM 0 H ARG A 136 -4.293 -8.656 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.126 -9.457 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.318 -10.733 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.946 -11.759 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.395 -11.811 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.040 -10.182 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.118 -11.045 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.823 -11.641 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.864 -13.203 2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.637 -13.031 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.431 -14.781 -1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.592 -15.446 2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.968 -16.140 0.557 1.00 0.00 H new ATOM 900 N LEU A 137 -1.696 -9.865 -2.890 1.00 0.00 N ATOM 901 CA LEU A 137 -0.694 -10.140 -3.920 1.00 0.00 C ATOM 902 C LEU A 137 0.636 -9.446 -3.627 1.00 0.00 C ATOM 903 O LEU A 137 1.701 -9.945 -3.988 1.00 0.00 O ATOM 904 CB LEU A 137 -1.211 -9.703 -5.290 1.00 0.00 C ATOM 905 CG LEU A 137 -0.493 -10.341 -6.480 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.929 -9.814 -6.586 1.00 0.00 C ATOM 907 CD2 LEU A 137 -0.489 -11.857 -6.350 1.00 0.00 C ATOM 0 H LEU A 137 -2.611 -9.601 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.517 -11.215 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.273 -9.940 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.121 -8.619 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.030 -10.074 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.426 -10.278 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.907 -8.733 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.475 -10.053 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 137 0.026 -12.294 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.025 -12.142 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -1.516 -12.222 -6.319 1.00 0.00 H new ATOM 919 N ALA A 138 0.572 -8.289 -2.984 1.00 0.00 N ATOM 920 CA ALA A 138 1.776 -7.528 -2.663 1.00 0.00 C ATOM 921 C ALA A 138 2.249 -7.776 -1.229 1.00 0.00 C ATOM 922 O ALA A 138 3.251 -7.212 -0.794 1.00 0.00 O ATOM 923 CB ALA A 138 1.516 -6.047 -2.881 1.00 0.00 C ATOM 0 H ALA A 138 -0.298 -7.855 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 138 2.571 -7.866 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.416 -5.480 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.246 -5.875 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.700 -5.722 -2.236 1.00 0.00 H new ATOM 929 N SER A 139 1.512 -8.599 -0.493 1.00 0.00 N ATOM 930 CA SER A 139 1.842 -8.893 0.897 1.00 0.00 C ATOM 931 C SER A 139 2.963 -9.925 1.039 1.00 0.00 C ATOM 932 O SER A 139 3.357 -10.258 2.157 1.00 0.00 O ATOM 933 CB SER A 139 0.596 -9.382 1.631 1.00 0.00 C ATOM 934 OG SER A 139 0.857 -9.574 3.010 1.00 0.00 O ATOM 0 H SER A 139 0.679 -9.076 -0.837 1.00 0.00 H new ATOM 0 HA SER A 139 2.204 -7.966 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.210 -8.658 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.254 -10.318 1.189 1.00 0.00 H new ATOM 0 HG SER A 139 1.794 -9.835 3.132 1.00 0.00 H new ATOM 940 N HIS A 140 3.476 -10.437 -0.077 1.00 0.00 N ATOM 941 CA HIS A 140 4.545 -11.434 -0.017 1.00 0.00 C ATOM 942 C HIS A 140 5.920 -10.778 0.073 1.00 0.00 C ATOM 943 O HIS A 140 6.863 -11.376 0.590 1.00 0.00 O ATOM 944 CB HIS A 140 4.518 -12.376 -1.229 1.00 0.00 C ATOM 945 CG HIS A 140 3.246 -12.353 -2.015 1.00 0.00 C ATOM 946 ND1 HIS A 140 1.998 -12.180 -1.463 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.051 -12.496 -3.348 1.00 0.00 C ATOM 948 CE1 HIS A 140 1.102 -12.225 -2.458 1.00 0.00 C ATOM 949 NE2 HIS A 140 1.690 -12.416 -3.622 1.00 0.00 N ATOM 0 H HIS A 140 3.176 -10.185 -1.019 1.00 0.00 H new ATOM 0 HA HIS A 140 4.366 -12.017 0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.343 -12.115 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 140 4.696 -13.394 -0.884 1.00 0.00 H new ATOM 0 HD1 HIS A 140 1.792 -12.042 -0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.829 -12.648 -4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 140 0.036 -12.119 -2.324 1.00 0.00 H new ATOM 957 N LEU A 141 6.041 -9.560 -0.446 1.00 0.00 N ATOM 958 CA LEU A 141 7.321 -8.861 -0.427 1.00 0.00 C ATOM 959 C LEU A 141 7.212 -7.474 0.201 1.00 0.00 C ATOM 960 O LEU A 141 7.909 -7.163 1.165 1.00 0.00 O ATOM 961 CB LEU A 141 7.874 -8.734 -1.844 1.00 0.00 C ATOM 962 CG LEU A 141 9.275 -8.123 -1.930 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.294 -9.176 -2.334 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.292 -6.955 -2.906 1.00 0.00 C ATOM 0 H LEU A 141 5.278 -9.041 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 141 8.000 -9.454 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 141 7.895 -9.723 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.189 -8.124 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 141 9.546 -7.747 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.284 -8.722 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.303 -9.976 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.027 -9.586 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.297 -6.535 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.998 -7.304 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.593 -6.189 -2.569 1.00 0.00 H new ATOM 976 N ARG A 142 6.355 -6.634 -0.370 1.00 0.00 N ATOM 977 CA ARG A 142 6.173 -5.264 0.110 1.00 0.00 C ATOM 978 C ARG A 142 6.125 -5.180 1.637 1.00 0.00 C ATOM 979 O ARG A 142 6.660 -4.241 2.226 1.00 0.00 O ATOM 980 CB ARG A 142 4.905 -4.659 -0.490 1.00 0.00 C ATOM 981 CG ARG A 142 4.978 -4.491 -1.999 1.00 0.00 C ATOM 982 CD ARG A 142 6.186 -3.660 -2.402 1.00 0.00 C ATOM 983 NE ARG A 142 6.149 -3.267 -3.810 1.00 0.00 N ATOM 984 CZ ARG A 142 6.628 -4.013 -4.802 1.00 0.00 C ATOM 985 NH1 ARG A 142 7.134 -5.216 -4.557 1.00 0.00 N ATOM 986 NH2 ARG A 142 6.595 -3.558 -6.047 1.00 0.00 N ATOM 0 H ARG A 142 5.771 -6.878 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 142 7.041 -4.692 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.055 -5.294 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.721 -3.687 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 142 5.032 -5.470 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 142 4.067 -4.012 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.233 -2.766 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 142 7.095 -4.230 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 142 5.731 -2.367 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 142 7.158 -5.575 -3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 142 7.499 -5.781 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 142 6.203 -2.637 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 142 6.962 -4.129 -6.809 1.00 0.00 H new ATOM 1000 N LYS A 143 5.488 -6.156 2.275 1.00 0.00 N ATOM 1001 CA LYS A 143 5.388 -6.163 3.732 1.00 0.00 C ATOM 1002 C LYS A 143 6.455 -7.060 4.352 1.00 0.00 C ATOM 1003 O LYS A 143 7.119 -6.674 5.314 1.00 0.00 O ATOM 1004 CB LYS A 143 3.997 -6.620 4.174 1.00 0.00 C ATOM 1005 CG LYS A 143 2.918 -5.576 3.944 1.00 0.00 C ATOM 1006 CD LYS A 143 3.158 -4.326 4.776 1.00 0.00 C ATOM 1007 CE LYS A 143 2.013 -3.334 4.632 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.000 -3.494 5.711 1.00 0.00 N ATOM 0 H LYS A 143 5.037 -6.946 1.813 1.00 0.00 H new ATOM 0 HA LYS A 143 5.552 -5.144 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.733 -7.530 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.026 -6.875 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.889 -5.310 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 143 1.944 -5.998 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.273 -4.602 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.091 -3.855 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 143 2.408 -2.318 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.535 -3.470 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 0.414 -2.637 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 0.395 -4.314 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 1.482 -3.644 6.620 1.00 0.00 H new ATOM 1022 N LEU A 144 6.617 -8.257 3.798 1.00 0.00 N ATOM 1023 CA LEU A 144 7.609 -9.200 4.303 1.00 0.00 C ATOM 1024 C LEU A 144 9.006 -8.589 4.250 1.00 0.00 C ATOM 1025 O LEU A 144 9.770 -8.673 5.212 1.00 0.00 O ATOM 1026 CB LEU A 144 7.571 -10.498 3.493 1.00 0.00 C ATOM 1027 CG LEU A 144 6.734 -11.622 4.109 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.305 -11.159 4.342 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.758 -12.854 3.216 1.00 0.00 C ATOM 0 H LEU A 144 6.077 -8.596 3.002 1.00 0.00 H new ATOM 0 HA LEU A 144 7.368 -9.427 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.180 -10.277 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.592 -10.856 3.361 1.00 0.00 H new ATOM 0 HG LEU A 144 7.169 -11.886 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.726 -11.972 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.305 -10.306 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 144 4.858 -10.866 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 144 6.158 -13.643 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.348 -12.602 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.785 -13.200 3.101 1.00 0.00 H new ATOM 1041 N ARG A 145 9.327 -7.967 3.121 1.00 0.00 N ATOM 1042 CA ARG A 145 10.625 -7.331 2.934 1.00 0.00 C ATOM 1043 C ARG A 145 10.481 -5.813 2.931 1.00 0.00 C ATOM 1044 O ARG A 145 9.538 -5.271 2.353 1.00 0.00 O ATOM 1045 CB ARG A 145 11.264 -7.799 1.629 1.00 0.00 C ATOM 1046 CG ARG A 145 11.986 -9.129 1.756 1.00 0.00 C ATOM 1047 CD ARG A 145 13.045 -9.092 2.846 1.00 0.00 C ATOM 1048 NE ARG A 145 13.941 -10.244 2.778 1.00 0.00 N ATOM 1049 CZ ARG A 145 13.630 -11.453 3.239 1.00 0.00 C ATOM 1050 NH1 ARG A 145 12.446 -11.672 3.800 1.00 0.00 N ATOM 1051 NH2 ARG A 145 14.503 -12.445 3.138 1.00 0.00 N ATOM 0 H ARG A 145 8.703 -7.890 2.318 1.00 0.00 H new ATOM 0 HA ARG A 145 11.270 -7.619 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.492 -7.884 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 145 11.969 -7.042 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 145 11.264 -9.915 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 145 12.452 -9.382 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 145 13.627 -8.175 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 145 12.560 -9.067 3.822 1.00 0.00 H new ATOM 0 HE ARG A 145 14.859 -10.114 2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.771 -10.912 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 145 12.212 -12.600 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 145 15.413 -12.282 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 145 14.265 -13.372 3.491 1.00 0.00 H new ATOM 1065 N LYS A 146 11.416 -5.130 3.583 1.00 0.00 N ATOM 1066 CA LYS A 146 11.382 -3.673 3.655 1.00 0.00 C ATOM 1067 C LYS A 146 12.674 -3.064 3.124 1.00 0.00 C ATOM 1068 O LYS A 146 13.753 -3.637 3.277 1.00 0.00 O ATOM 1069 CB LYS A 146 11.155 -3.218 5.097 1.00 0.00 C ATOM 1070 CG LYS A 146 10.530 -1.837 5.207 1.00 0.00 C ATOM 1071 CD LYS A 146 10.674 -1.271 6.610 1.00 0.00 C ATOM 1072 CE LYS A 146 10.061 0.116 6.718 1.00 0.00 C ATOM 1073 NZ LYS A 146 8.578 0.081 6.590 1.00 0.00 N ATOM 0 H LYS A 146 12.204 -5.560 4.068 1.00 0.00 H new ATOM 0 HA LYS A 146 10.556 -3.329 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 146 10.512 -3.940 5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 146 12.109 -3.219 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 146 11.003 -1.164 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 146 9.474 -1.892 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 146 10.192 -1.939 7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 146 11.729 -1.225 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 146 10.332 0.559 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 146 10.477 0.758 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 8.189 1.022 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 8.320 -0.189 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 8.188 -0.614 7.258 1.00 0.00 H new ATOM 1087 N ARG A 147 12.555 -1.893 2.503 1.00 0.00 N ATOM 1088 CA ARG A 147 13.714 -1.195 1.953 1.00 0.00 C ATOM 1089 C ARG A 147 14.540 -2.125 1.070 1.00 0.00 C ATOM 1090 O ARG A 147 15.762 -1.998 0.991 1.00 0.00 O ATOM 1091 CB ARG A 147 14.590 -0.635 3.081 1.00 0.00 C ATOM 1092 CG ARG A 147 13.855 -0.450 4.401 1.00 0.00 C ATOM 1093 CD ARG A 147 14.355 0.773 5.152 1.00 0.00 C ATOM 1094 NE ARG A 147 13.719 0.908 6.461 1.00 0.00 N ATOM 1095 CZ ARG A 147 14.086 0.219 7.539 1.00 0.00 C ATOM 1096 NH1 ARG A 147 15.086 -0.651 7.472 1.00 0.00 N ATOM 1097 NH2 ARG A 147 13.452 0.400 8.689 1.00 0.00 N ATOM 0 H ARG A 147 11.668 -1.408 2.368 1.00 0.00 H new ATOM 0 HA ARG A 147 13.349 -0.368 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 147 15.435 -1.306 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 147 14.999 0.325 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 147 12.786 -0.350 4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 147 13.988 -1.337 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 147 15.435 0.704 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 147 14.160 1.667 4.560 1.00 0.00 H new ATOM 0 HE ARG A 147 12.948 1.569 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 147 15.579 -0.795 6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 147 15.362 -1.176 8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 147 12.683 1.067 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 147 13.733 -0.128 9.515 1.00 0.00 H new ATOM 1111 N LEU A 148 13.863 -3.067 0.415 1.00 0.00 N ATOM 1112 CA LEU A 148 14.526 -4.033 -0.460 1.00 0.00 C ATOM 1113 C LEU A 148 15.208 -5.129 0.356 1.00 0.00 C ATOM 1114 O LEU A 148 14.957 -6.316 0.149 1.00 0.00 O ATOM 1115 CB LEU A 148 15.549 -3.338 -1.364 1.00 0.00 C ATOM 1116 CG LEU A 148 15.931 -4.114 -2.626 1.00 0.00 C ATOM 1117 CD1 LEU A 148 14.794 -4.085 -3.635 1.00 0.00 C ATOM 1118 CD2 LEU A 148 17.202 -3.543 -3.236 1.00 0.00 C ATOM 0 H LEU A 148 12.851 -3.182 0.474 1.00 0.00 H new ATOM 0 HA LEU A 148 13.762 -4.492 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 148 15.150 -2.368 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 148 16.453 -3.148 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 148 16.117 -5.152 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 148 15.084 -4.642 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 148 13.906 -4.540 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 148 14.576 -3.052 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 148 17.460 -4.106 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 148 17.042 -2.497 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 148 18.016 -3.616 -2.515 1.00 0.00 H new ATOM 1130 N LEU A 149 16.069 -4.725 1.286 1.00 0.00 N ATOM 1131 CA LEU A 149 16.783 -5.673 2.133 1.00 0.00 C ATOM 1132 C LEU A 149 15.808 -6.546 2.916 1.00 0.00 C ATOM 1133 O LEU A 149 14.610 -6.197 2.965 1.00 0.00 O ATOM 1134 CB LEU A 149 17.707 -4.927 3.098 1.00 0.00 C ATOM 1135 CG LEU A 149 17.030 -3.840 3.937 1.00 0.00 C ATOM 1136 CD1 LEU A 149 16.164 -4.463 5.020 1.00 0.00 C ATOM 1137 CD2 LEU A 149 18.072 -2.917 4.550 1.00 0.00 C ATOM 1138 OXT LEU A 149 16.251 -7.572 3.475 1.00 0.00 O ATOM 0 H LEU A 149 16.289 -3.746 1.472 1.00 0.00 H new ATOM 0 HA LEU A 149 17.382 -6.318 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 149 18.164 -5.652 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 149 18.514 -4.471 2.524 1.00 0.00 H new ATOM 0 HG LEU A 149 16.388 -3.249 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 149 15.691 -3.675 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 149 15.395 -5.083 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 149 16.784 -5.078 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 149 17.574 -2.150 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 149 18.739 -3.495 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 149 18.651 -2.444 3.757 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -1.004 1.573 4.213 1.00 0.33 CA