USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 129:sc= 0.0507 (180deg=-0.00982) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 5:sc= 0.358 USER MOD Single : A 20 THR OG1 : rot -2:sc= 0.984 USER MOD Single : A 22 HIS : no HD1:sc= -7.89! C(o=-7.9!,f=-14!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 93:sc= 0.443 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -5.38! (180deg=-6.83!) USER MOD Single : A 61 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.036) USER MOD Single : A 65 THR OG1 : rot 41:sc= 1.24 USER MOD Single : A 68 SER OG : rot -90:sc= -2.81! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 85:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.237 9.338 1.010 1.00 0.00 N ATOM 2 CA ALA A 1 -10.375 8.806 -0.084 1.00 0.00 C ATOM 3 C ALA A 1 -9.082 8.246 0.513 1.00 0.00 C ATOM 4 O ALA A 1 -8.622 8.686 1.549 1.00 0.00 O ATOM 5 CB ALA A 1 -10.038 9.934 -1.062 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.535 10.307 0.777 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.076 8.733 1.116 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.701 9.346 1.901 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.905 8.013 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.408 9.546 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.959 10.334 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.507 10.727 -0.534 1.00 0.00 H new ATOM 13 N ILE A 2 -8.490 7.278 -0.131 1.00 0.00 N ATOM 14 CA ILE A 2 -7.228 6.691 0.400 1.00 0.00 C ATOM 15 C ILE A 2 -6.146 6.746 -0.681 1.00 0.00 C ATOM 16 O ILE A 2 -6.014 5.847 -1.487 1.00 0.00 O ATOM 17 CB ILE A 2 -7.473 5.235 0.803 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.327 5.197 2.073 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.134 4.546 1.069 1.00 0.00 C ATOM 20 CD1 ILE A 2 -9.801 5.049 1.692 1.00 0.00 C ATOM 0 H ILE A 2 -8.826 6.868 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.901 7.259 1.271 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.993 4.717 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.019 4.365 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.179 6.109 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.309 3.509 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.524 4.575 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.613 5.063 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.409 5.022 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.104 5.895 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.941 4.124 1.132 1.00 0.00 H new ATOM 32 N ASP A 3 -5.369 7.794 -0.702 1.00 0.00 N ATOM 33 CA ASP A 3 -4.296 7.905 -1.730 1.00 0.00 C ATOM 34 C ASP A 3 -3.316 6.741 -1.573 1.00 0.00 C ATOM 35 O ASP A 3 -2.844 6.455 -0.491 1.00 0.00 O ATOM 36 CB ASP A 3 -3.550 9.229 -1.547 1.00 0.00 C ATOM 37 CG ASP A 3 -2.539 9.405 -2.683 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.923 9.216 -3.826 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.399 9.727 -2.391 1.00 0.00 O ATOM 0 H ASP A 3 -5.431 8.578 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.741 7.873 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.256 10.059 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.038 9.241 -0.585 1.00 0.00 H new ATOM 44 N ILE A 4 -3.005 6.066 -2.646 1.00 0.00 N ATOM 45 CA ILE A 4 -2.056 4.921 -2.558 1.00 0.00 C ATOM 46 C ILE A 4 -0.670 5.371 -3.021 1.00 0.00 C ATOM 47 O ILE A 4 -0.449 5.638 -4.185 1.00 0.00 O ATOM 48 CB ILE A 4 -2.548 3.782 -3.454 1.00 0.00 C ATOM 49 CG1 ILE A 4 -4.028 3.515 -3.171 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.739 2.518 -3.164 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.875 4.045 -4.330 1.00 0.00 C ATOM 0 H ILE A 4 -3.367 6.258 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.999 4.574 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.421 4.062 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.197 2.446 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.324 3.999 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.090 1.707 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.684 2.707 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.865 2.237 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.929 3.854 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.714 5.118 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.586 3.541 -5.252 1.00 0.00 H new ATOM 63 N LYS A 5 0.269 5.457 -2.117 1.00 0.00 N ATOM 64 CA LYS A 5 1.641 5.889 -2.505 1.00 0.00 C ATOM 65 C LYS A 5 2.640 4.783 -2.162 1.00 0.00 C ATOM 66 O LYS A 5 2.329 3.853 -1.445 1.00 0.00 O ATOM 67 CB LYS A 5 2.008 7.164 -1.744 1.00 0.00 C ATOM 68 CG LYS A 5 1.894 6.911 -0.239 1.00 0.00 C ATOM 69 CD LYS A 5 2.657 7.998 0.522 1.00 0.00 C ATOM 70 CE LYS A 5 2.563 7.730 2.025 1.00 0.00 C ATOM 71 NZ LYS A 5 3.916 7.396 2.556 1.00 0.00 N ATOM 0 H LYS A 5 0.144 5.247 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 5 1.671 6.085 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.023 7.471 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.346 7.979 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.846 6.909 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.298 5.929 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.701 8.011 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.242 8.979 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.166 8.606 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.873 6.909 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.853 7.214 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.278 6.548 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.562 8.193 2.386 1.00 0.00 H new ATOM 85 N ALA A 6 3.839 4.877 -2.667 1.00 0.00 N ATOM 86 CA ALA A 6 4.858 3.831 -2.369 1.00 0.00 C ATOM 87 C ALA A 6 5.551 4.156 -1.042 1.00 0.00 C ATOM 88 O ALA A 6 5.455 5.262 -0.550 1.00 0.00 O ATOM 89 CB ALA A 6 5.896 3.794 -3.492 1.00 0.00 C ATOM 0 H ALA A 6 4.157 5.633 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 6 4.370 2.859 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.641 3.029 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.403 3.561 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.385 4.765 -3.568 1.00 0.00 H new ATOM 95 N PRO A 7 6.231 3.176 -0.505 1.00 0.00 N ATOM 96 CA PRO A 7 6.958 3.318 0.769 1.00 0.00 C ATOM 97 C PRO A 7 8.277 4.064 0.552 1.00 0.00 C ATOM 98 O PRO A 7 8.844 4.041 -0.523 1.00 0.00 O ATOM 99 CB PRO A 7 7.213 1.871 1.200 1.00 0.00 C ATOM 100 CG PRO A 7 7.134 1.013 -0.084 1.00 0.00 C ATOM 101 CD PRO A 7 6.338 1.835 -1.115 1.00 0.00 C ATOM 0 HA PRO A 7 6.407 3.889 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.190 1.773 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.471 1.547 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.132 0.784 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.642 0.061 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.852 1.874 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.355 1.401 -1.297 1.00 0.00 H new ATOM 109 N THR A 8 8.771 4.725 1.563 1.00 0.00 N ATOM 110 CA THR A 8 10.052 5.470 1.413 1.00 0.00 C ATOM 111 C THR A 8 11.220 4.482 1.421 1.00 0.00 C ATOM 112 O THR A 8 11.532 3.883 2.431 1.00 0.00 O ATOM 113 CB THR A 8 10.209 6.455 2.574 1.00 0.00 C ATOM 114 OG1 THR A 8 9.060 7.288 2.644 1.00 0.00 O ATOM 115 CG2 THR A 8 11.453 7.315 2.352 1.00 0.00 C ATOM 0 H THR A 8 8.342 4.781 2.487 1.00 0.00 H new ATOM 0 HA THR A 8 10.045 6.018 0.471 1.00 0.00 H new ATOM 0 HB THR A 8 10.315 5.903 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.158 7.918 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.563 8.016 3.180 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.333 6.675 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.351 7.869 1.419 1.00 0.00 H new ATOM 123 N PHE A 9 11.869 4.306 0.303 1.00 0.00 N ATOM 124 CA PHE A 9 13.015 3.357 0.247 1.00 0.00 C ATOM 125 C PHE A 9 14.192 3.930 1.042 1.00 0.00 C ATOM 126 O PHE A 9 14.317 5.130 1.183 1.00 0.00 O ATOM 127 CB PHE A 9 13.436 3.149 -1.210 1.00 0.00 C ATOM 128 CG PHE A 9 12.246 2.684 -2.014 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.316 1.803 -1.445 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.072 3.132 -3.331 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.211 1.372 -2.193 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.968 2.701 -4.078 1.00 0.00 C ATOM 133 CZ PHE A 9 10.037 1.821 -3.509 1.00 0.00 C ATOM 0 H PHE A 9 11.654 4.779 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 9 12.716 2.402 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.827 4.079 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.238 2.413 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.450 1.456 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.789 3.810 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.494 0.694 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.834 3.047 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.186 1.489 -4.085 1.00 0.00 H new ATOM 143 N PRO A 10 15.024 3.048 1.538 1.00 0.00 N ATOM 144 CA PRO A 10 16.207 3.428 2.327 1.00 0.00 C ATOM 145 C PRO A 10 17.332 3.912 1.406 1.00 0.00 C ATOM 146 O PRO A 10 17.209 3.893 0.197 1.00 0.00 O ATOM 147 CB PRO A 10 16.601 2.126 3.032 1.00 0.00 C ATOM 148 CG PRO A 10 15.996 0.975 2.191 1.00 0.00 C ATOM 149 CD PRO A 10 14.858 1.590 1.355 1.00 0.00 C ATOM 0 HA PRO A 10 16.014 4.244 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.685 2.032 3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.218 2.105 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.752 0.528 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.618 0.182 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.938 1.308 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.881 1.253 1.702 1.00 0.00 H new ATOM 157 N GLU A 11 18.426 4.346 1.969 1.00 0.00 N ATOM 158 CA GLU A 11 19.555 4.833 1.128 1.00 0.00 C ATOM 159 C GLU A 11 20.119 3.670 0.308 1.00 0.00 C ATOM 160 O GLU A 11 20.368 3.796 -0.874 1.00 0.00 O ATOM 161 CB GLU A 11 20.655 5.400 2.028 1.00 0.00 C ATOM 162 CG GLU A 11 21.299 4.264 2.825 1.00 0.00 C ATOM 163 CD GLU A 11 22.293 4.847 3.832 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.070 5.960 4.277 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.258 4.168 4.141 1.00 0.00 O ATOM 0 H GLU A 11 18.587 4.384 2.976 1.00 0.00 H new ATOM 0 HA GLU A 11 19.196 5.613 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.408 5.907 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.237 6.143 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.532 3.690 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.809 3.576 2.151 1.00 0.00 H new ATOM 172 N SER A 12 20.322 2.539 0.929 1.00 0.00 N ATOM 173 CA SER A 12 20.870 1.368 0.191 1.00 0.00 C ATOM 174 C SER A 12 20.190 1.255 -1.175 1.00 0.00 C ATOM 175 O SER A 12 20.820 0.957 -2.170 1.00 0.00 O ATOM 176 CB SER A 12 20.613 0.093 0.995 1.00 0.00 C ATOM 177 OG SER A 12 20.516 -1.011 0.106 1.00 0.00 O ATOM 0 H SER A 12 20.131 2.377 1.918 1.00 0.00 H new ATOM 0 HA SER A 12 21.943 1.500 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.421 -0.070 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.693 0.192 1.572 1.00 0.00 H new ATOM 0 HG SER A 12 20.353 -1.830 0.618 1.00 0.00 H new ATOM 183 N ILE A 13 18.907 1.492 -1.231 1.00 0.00 N ATOM 184 CA ILE A 13 18.189 1.398 -2.533 1.00 0.00 C ATOM 185 C ILE A 13 17.815 2.802 -3.011 1.00 0.00 C ATOM 186 O ILE A 13 17.660 3.715 -2.225 1.00 0.00 O ATOM 187 CB ILE A 13 16.920 0.563 -2.356 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.267 -0.744 -1.639 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.319 0.248 -3.726 1.00 0.00 C ATOM 190 CD1 ILE A 13 18.231 -1.560 -2.502 1.00 0.00 C ATOM 0 H ILE A 13 18.326 1.746 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 13 18.835 0.924 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 13 16.197 1.123 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.721 -0.531 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 13 16.360 -1.317 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.415 -0.347 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.072 1.178 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.041 -0.312 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.478 -2.491 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.761 -1.785 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.142 -0.986 -2.671 1.00 0.00 H new ATOM 202 N ALA A 14 17.667 2.982 -4.295 1.00 0.00 N ATOM 203 CA ALA A 14 17.303 4.327 -4.822 1.00 0.00 C ATOM 204 C ALA A 14 15.951 4.250 -5.538 1.00 0.00 C ATOM 205 O ALA A 14 15.454 5.234 -6.050 1.00 0.00 O ATOM 206 CB ALA A 14 18.375 4.796 -5.808 1.00 0.00 C ATOM 0 H ALA A 14 17.782 2.256 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 14 17.235 5.033 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.109 5.780 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.337 4.854 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.444 4.089 -6.635 1.00 0.00 H new ATOM 212 N ASP A 15 15.351 3.092 -5.577 1.00 0.00 N ATOM 213 CA ASP A 15 14.033 2.960 -6.261 1.00 0.00 C ATOM 214 C ASP A 15 13.559 1.507 -6.181 1.00 0.00 C ATOM 215 O ASP A 15 14.170 0.678 -5.539 1.00 0.00 O ATOM 216 CB ASP A 15 14.174 3.369 -7.729 1.00 0.00 C ATOM 217 CG ASP A 15 15.570 2.996 -8.233 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.103 2.006 -7.762 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.081 3.707 -9.082 1.00 0.00 O ATOM 0 H ASP A 15 15.715 2.233 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 15 13.306 3.608 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.414 2.871 -8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.012 4.442 -7.835 1.00 0.00 H new ATOM 224 N GLY A 16 12.470 1.194 -6.829 1.00 0.00 N ATOM 225 CA GLY A 16 11.955 -0.204 -6.791 1.00 0.00 C ATOM 226 C GLY A 16 11.198 -0.504 -8.086 1.00 0.00 C ATOM 227 O GLY A 16 11.367 0.166 -9.084 1.00 0.00 O ATOM 0 H GLY A 16 11.915 1.846 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.782 -0.904 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.296 -0.337 -5.933 1.00 0.00 H new ATOM 231 N THR A 17 10.364 -1.508 -8.078 1.00 0.00 N ATOM 232 CA THR A 17 9.599 -1.850 -9.310 1.00 0.00 C ATOM 233 C THR A 17 8.255 -2.469 -8.919 1.00 0.00 C ATOM 234 O THR A 17 8.192 -3.393 -8.133 1.00 0.00 O ATOM 235 CB THR A 17 10.399 -2.851 -10.147 1.00 0.00 C ATOM 236 OG1 THR A 17 11.512 -2.191 -10.732 1.00 0.00 O ATOM 237 CG2 THR A 17 9.507 -3.426 -11.248 1.00 0.00 C ATOM 0 H THR A 17 10.180 -2.106 -7.272 1.00 0.00 H new ATOM 0 HA THR A 17 9.427 -0.946 -9.894 1.00 0.00 H new ATOM 0 HB THR A 17 10.751 -3.661 -9.509 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.558 -1.270 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.078 -4.139 -11.843 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.653 -3.931 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.154 -2.618 -11.889 1.00 0.00 H new ATOM 245 N VAL A 18 7.180 -1.969 -9.464 1.00 0.00 N ATOM 246 CA VAL A 18 5.842 -2.530 -9.124 1.00 0.00 C ATOM 247 C VAL A 18 5.913 -4.058 -9.139 1.00 0.00 C ATOM 248 O VAL A 18 6.812 -4.642 -9.710 1.00 0.00 O ATOM 249 CB VAL A 18 4.814 -2.056 -10.154 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.440 -2.628 -9.803 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.748 -0.527 -10.140 1.00 0.00 C ATOM 0 H VAL A 18 7.170 -1.196 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 18 5.545 -2.189 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 18 5.108 -2.399 -11.146 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.707 -2.291 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.486 -3.717 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.145 -2.285 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.016 -0.188 -10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.453 -0.185 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.727 -0.118 -10.389 1.00 0.00 H new ATOM 261 N ALA A 19 4.970 -4.711 -8.515 1.00 0.00 N ATOM 262 CA ALA A 19 4.986 -6.200 -8.494 1.00 0.00 C ATOM 263 C ALA A 19 3.894 -6.736 -9.422 1.00 0.00 C ATOM 264 O ALA A 19 4.166 -7.210 -10.507 1.00 0.00 O ATOM 265 CB ALA A 19 4.732 -6.694 -7.068 1.00 0.00 C ATOM 0 H ALA A 19 4.191 -4.278 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 19 5.958 -6.557 -8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.744 -7.784 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.511 -6.314 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.760 -6.337 -6.727 1.00 0.00 H new ATOM 271 N THR A 20 2.660 -6.665 -9.005 1.00 0.00 N ATOM 272 CA THR A 20 1.553 -7.172 -9.865 1.00 0.00 C ATOM 273 C THR A 20 0.229 -6.552 -9.414 1.00 0.00 C ATOM 274 O THR A 20 -0.096 -6.544 -8.244 1.00 0.00 O ATOM 275 CB THR A 20 1.470 -8.695 -9.741 1.00 0.00 C ATOM 276 OG1 THR A 20 2.606 -9.282 -10.363 1.00 0.00 O ATOM 277 CG2 THR A 20 0.197 -9.195 -10.424 1.00 0.00 C ATOM 0 H THR A 20 2.370 -6.278 -8.107 1.00 0.00 H new ATOM 0 HA THR A 20 1.746 -6.900 -10.903 1.00 0.00 H new ATOM 0 HB THR A 20 1.448 -8.974 -8.687 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.162 -8.579 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.139 -10.280 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.673 -8.744 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.217 -8.918 -11.478 1.00 0.00 H new ATOM 285 N TRP A 21 -0.537 -6.033 -10.335 1.00 0.00 N ATOM 286 CA TRP A 21 -1.834 -5.418 -9.967 1.00 0.00 C ATOM 287 C TRP A 21 -2.934 -6.480 -10.010 1.00 0.00 C ATOM 288 O TRP A 21 -3.610 -6.647 -11.006 1.00 0.00 O ATOM 289 CB TRP A 21 -2.150 -4.311 -10.968 1.00 0.00 C ATOM 290 CG TRP A 21 -1.601 -3.014 -10.468 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.437 -2.452 -10.869 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.174 -2.107 -9.484 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.262 -1.258 -10.190 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.303 -1.004 -9.330 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.354 -2.133 -8.718 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.586 0.034 -8.451 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.646 -1.085 -7.826 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.761 -0.003 -7.694 1.00 0.00 C ATOM 0 H TRP A 21 -0.315 -6.011 -11.330 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.779 -5.004 -8.960 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.718 -4.551 -11.939 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.228 -4.231 -11.110 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.243 -2.866 -11.598 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.542 -0.642 -10.313 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.039 -2.962 -8.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.903 0.864 -8.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.553 -1.113 -7.241 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.988 0.800 -7.008 1.00 0.00 H new ATOM 309 N HIS A 22 -3.113 -7.204 -8.938 1.00 0.00 N ATOM 310 CA HIS A 22 -4.172 -8.267 -8.919 1.00 0.00 C ATOM 311 C HIS A 22 -5.440 -7.736 -9.590 1.00 0.00 C ATOM 312 O HIS A 22 -5.818 -8.173 -10.660 1.00 0.00 O ATOM 313 CB HIS A 22 -4.503 -8.671 -7.475 1.00 0.00 C ATOM 314 CG HIS A 22 -3.268 -8.574 -6.633 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.847 -7.373 -6.093 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.322 -9.501 -6.271 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.693 -7.599 -5.454 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.325 -8.881 -5.525 1.00 0.00 N ATOM 0 H HIS A 22 -2.577 -7.110 -8.076 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.799 -9.139 -9.457 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.281 -8.022 -7.074 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.893 -9.689 -7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.348 -10.550 -6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.127 -6.835 -4.942 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.494 -9.312 -5.120 1.00 0.00 H new ATOM 326 N LYS A 23 -6.102 -6.798 -8.971 1.00 0.00 N ATOM 327 CA LYS A 23 -7.346 -6.241 -9.575 1.00 0.00 C ATOM 328 C LYS A 23 -7.019 -4.949 -10.325 1.00 0.00 C ATOM 329 O LYS A 23 -5.877 -4.542 -10.412 1.00 0.00 O ATOM 330 CB LYS A 23 -8.362 -5.946 -8.468 1.00 0.00 C ATOM 331 CG LYS A 23 -9.218 -7.188 -8.216 1.00 0.00 C ATOM 332 CD LYS A 23 -10.517 -7.084 -9.019 1.00 0.00 C ATOM 333 CE LYS A 23 -11.142 -8.472 -9.162 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.048 -8.917 -10.581 1.00 0.00 N ATOM 0 H LYS A 23 -5.836 -6.393 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.766 -6.966 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.845 -5.656 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.996 -5.107 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.670 -8.085 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.441 -7.279 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.213 -6.410 -8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.315 -6.661 -10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.629 -9.182 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.185 -8.447 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.473 -9.861 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.556 -8.244 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.049 -8.956 -10.867 1.00 0.00 H new ATOM 348 N LYS A 24 -8.013 -4.301 -10.869 1.00 0.00 N ATOM 349 CA LYS A 24 -7.762 -3.036 -11.615 1.00 0.00 C ATOM 350 C LYS A 24 -8.588 -1.906 -10.995 1.00 0.00 C ATOM 351 O LYS A 24 -9.448 -2.148 -10.172 1.00 0.00 O ATOM 352 CB LYS A 24 -8.166 -3.220 -13.079 1.00 0.00 C ATOM 353 CG LYS A 24 -6.917 -3.203 -13.961 1.00 0.00 C ATOM 354 CD LYS A 24 -7.329 -3.081 -15.429 1.00 0.00 C ATOM 355 CE LYS A 24 -6.092 -3.220 -16.319 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.978 -4.628 -16.794 1.00 0.00 N ATOM 0 H LYS A 24 -8.989 -4.594 -10.829 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.703 -2.784 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.699 -4.162 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.848 -2.425 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.274 -2.368 -13.682 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.339 -4.115 -13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.058 -3.852 -15.678 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.810 -2.119 -15.604 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.165 -2.543 -17.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.197 -2.939 -15.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.137 -4.723 -17.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.890 -5.264 -15.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.827 -4.880 -17.339 1.00 0.00 H new ATOM 370 N PRO A 25 -8.299 -0.701 -11.415 1.00 0.00 N ATOM 371 CA PRO A 25 -8.999 0.500 -10.926 1.00 0.00 C ATOM 372 C PRO A 25 -10.385 0.609 -11.568 1.00 0.00 C ATOM 373 O PRO A 25 -10.550 0.402 -12.754 1.00 0.00 O ATOM 374 CB PRO A 25 -8.094 1.651 -11.377 1.00 0.00 C ATOM 375 CG PRO A 25 -7.254 1.107 -12.557 1.00 0.00 C ATOM 376 CD PRO A 25 -7.250 -0.426 -12.418 1.00 0.00 C ATOM 0 HA PRO A 25 -9.165 0.492 -9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.686 2.513 -11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.451 1.982 -10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.684 1.409 -13.512 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.239 1.502 -12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.470 -0.913 -13.368 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.278 -0.794 -12.089 1.00 0.00 H new ATOM 384 N GLY A 26 -11.384 0.934 -10.793 1.00 0.00 N ATOM 385 CA GLY A 26 -12.757 1.056 -11.358 1.00 0.00 C ATOM 386 C GLY A 26 -13.548 -0.219 -11.057 1.00 0.00 C ATOM 387 O GLY A 26 -14.593 -0.461 -11.626 1.00 0.00 O ATOM 0 H GLY A 26 -11.308 1.120 -9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.263 1.921 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.706 1.219 -12.434 1.00 0.00 H new ATOM 391 N GLU A 27 -13.056 -1.036 -10.167 1.00 0.00 N ATOM 392 CA GLU A 27 -13.778 -2.294 -9.829 1.00 0.00 C ATOM 393 C GLU A 27 -14.299 -2.214 -8.392 1.00 0.00 C ATOM 394 O GLU A 27 -14.226 -1.184 -7.753 1.00 0.00 O ATOM 395 CB GLU A 27 -12.823 -3.482 -9.960 1.00 0.00 C ATOM 396 CG GLU A 27 -12.292 -3.556 -11.393 1.00 0.00 C ATOM 397 CD GLU A 27 -12.906 -4.763 -12.103 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.386 -5.650 -11.415 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.888 -4.781 -13.323 1.00 0.00 O ATOM 0 H GLU A 27 -12.184 -0.886 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.617 -2.425 -10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.995 -3.375 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.340 -4.407 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.538 -2.640 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.205 -3.639 -11.386 1.00 0.00 H new ATOM 406 N ALA A 28 -14.823 -3.294 -7.881 1.00 0.00 N ATOM 407 CA ALA A 28 -15.348 -3.279 -6.486 1.00 0.00 C ATOM 408 C ALA A 28 -14.211 -3.591 -5.510 1.00 0.00 C ATOM 409 O ALA A 28 -13.388 -4.451 -5.755 1.00 0.00 O ATOM 410 CB ALA A 28 -16.447 -4.334 -6.343 1.00 0.00 C ATOM 0 H ALA A 28 -14.910 -4.186 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.759 -2.294 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.831 -4.323 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.257 -4.112 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.037 -5.319 -6.566 1.00 0.00 H new ATOM 416 N VAL A 29 -14.160 -2.899 -4.404 1.00 0.00 N ATOM 417 CA VAL A 29 -13.076 -3.157 -3.414 1.00 0.00 C ATOM 418 C VAL A 29 -13.694 -3.619 -2.092 1.00 0.00 C ATOM 419 O VAL A 29 -14.728 -3.136 -1.678 1.00 0.00 O ATOM 420 CB VAL A 29 -12.280 -1.872 -3.183 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.343 -2.059 -1.988 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.455 -1.553 -4.432 1.00 0.00 C ATOM 0 H VAL A 29 -14.821 -2.167 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.411 -3.932 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.967 -1.051 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.776 -1.143 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.929 -2.287 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.655 -2.880 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.887 -0.637 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.768 -2.375 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.122 -1.420 -5.284 1.00 0.00 H new ATOM 432 N LYS A 30 -13.068 -4.552 -1.428 1.00 0.00 N ATOM 433 CA LYS A 30 -13.621 -5.042 -0.134 1.00 0.00 C ATOM 434 C LYS A 30 -12.509 -5.071 0.917 1.00 0.00 C ATOM 435 O LYS A 30 -11.459 -5.647 0.707 1.00 0.00 O ATOM 436 CB LYS A 30 -14.182 -6.454 -0.322 1.00 0.00 C ATOM 437 CG LYS A 30 -15.056 -6.820 0.879 1.00 0.00 C ATOM 438 CD LYS A 30 -15.446 -8.296 0.796 1.00 0.00 C ATOM 439 CE LYS A 30 -14.553 -9.114 1.729 1.00 0.00 C ATOM 440 NZ LYS A 30 -15.354 -10.201 2.361 1.00 0.00 N ATOM 0 H LYS A 30 -12.199 -4.995 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.417 -4.375 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.767 -6.505 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.367 -7.170 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.517 -6.627 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.950 -6.197 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.492 -8.423 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.343 -8.653 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.720 -9.540 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.125 -8.470 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.745 -10.757 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.135 -9.784 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.741 -10.821 1.622 1.00 0.00 H new ATOM 454 N ARG A 31 -12.731 -4.452 2.045 1.00 0.00 N ATOM 455 CA ARG A 31 -11.691 -4.439 3.109 1.00 0.00 C ATOM 456 C ARG A 31 -11.068 -5.831 3.236 1.00 0.00 C ATOM 457 O ARG A 31 -11.723 -6.835 3.032 1.00 0.00 O ATOM 458 CB ARG A 31 -12.330 -4.043 4.442 1.00 0.00 C ATOM 459 CG ARG A 31 -11.421 -3.052 5.171 1.00 0.00 C ATOM 460 CD ARG A 31 -10.412 -3.819 6.027 1.00 0.00 C ATOM 461 NE ARG A 31 -11.105 -4.399 7.212 1.00 0.00 N ATOM 462 CZ ARG A 31 -10.706 -4.091 8.416 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.070 -2.960 8.955 1.00 0.00 N ATOM 464 NH2 ARG A 31 -9.944 -4.916 9.081 1.00 0.00 N ATOM 0 H ARG A 31 -13.591 -3.954 2.274 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.916 -3.718 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.309 -3.595 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.489 -4.928 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.899 -2.423 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.017 -2.389 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.949 -4.612 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.612 -3.153 6.350 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.891 -5.036 7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.667 -2.316 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.758 -2.720 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.661 -5.801 8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.632 -4.676 10.022 1.00 0.00 H new ATOM 478 N ASP A 32 -9.809 -5.900 3.571 1.00 0.00 N ATOM 479 CA ASP A 32 -9.148 -7.228 3.710 1.00 0.00 C ATOM 480 C ASP A 32 -8.918 -7.831 2.322 1.00 0.00 C ATOM 481 O ASP A 32 -8.852 -9.034 2.162 1.00 0.00 O ATOM 482 CB ASP A 32 -10.042 -8.160 4.530 1.00 0.00 C ATOM 483 CG ASP A 32 -9.185 -9.248 5.181 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.072 -8.940 5.577 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.655 -10.370 5.272 1.00 0.00 O ATOM 0 H ASP A 32 -9.210 -5.095 3.754 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.190 -7.106 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.571 -7.593 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.798 -8.613 3.889 1.00 0.00 H new ATOM 490 N GLU A 33 -8.799 -7.005 1.319 1.00 0.00 N ATOM 491 CA GLU A 33 -8.576 -7.533 -0.056 1.00 0.00 C ATOM 492 C GLU A 33 -7.341 -6.865 -0.665 1.00 0.00 C ATOM 493 O GLU A 33 -7.350 -5.689 -0.975 1.00 0.00 O ATOM 494 CB GLU A 33 -9.799 -7.231 -0.924 1.00 0.00 C ATOM 495 CG GLU A 33 -9.743 -8.076 -2.198 1.00 0.00 C ATOM 496 CD GLU A 33 -8.844 -7.390 -3.227 1.00 0.00 C ATOM 497 OE1 GLU A 33 -8.929 -6.179 -3.347 1.00 0.00 O ATOM 498 OE2 GLU A 33 -8.084 -8.088 -3.878 1.00 0.00 O ATOM 0 H GLU A 33 -8.846 -5.989 1.392 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.421 -8.611 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.713 -7.448 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.825 -6.171 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.360 -9.071 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.746 -8.206 -2.605 1.00 0.00 H new ATOM 505 N LEU A 34 -6.278 -7.604 -0.836 1.00 0.00 N ATOM 506 CA LEU A 34 -5.043 -7.014 -1.422 1.00 0.00 C ATOM 507 C LEU A 34 -5.414 -6.118 -2.606 1.00 0.00 C ATOM 508 O LEU A 34 -6.512 -6.183 -3.125 1.00 0.00 O ATOM 509 CB LEU A 34 -4.123 -8.139 -1.900 1.00 0.00 C ATOM 510 CG LEU A 34 -2.817 -7.542 -2.427 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.146 -6.723 -1.323 1.00 0.00 C ATOM 512 CD2 LEU A 34 -1.881 -8.671 -2.863 1.00 0.00 C ATOM 0 H LEU A 34 -6.213 -8.593 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.530 -6.418 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.916 -8.827 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.614 -8.716 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.031 -6.896 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.216 -6.298 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.812 -5.919 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.932 -7.368 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.950 -8.247 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.668 -9.316 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.358 -9.255 -3.650 1.00 0.00 H new ATOM 524 N ILE A 35 -4.510 -5.283 -3.037 1.00 0.00 N ATOM 525 CA ILE A 35 -4.814 -4.384 -4.186 1.00 0.00 C ATOM 526 C ILE A 35 -3.606 -4.322 -5.123 1.00 0.00 C ATOM 527 O ILE A 35 -3.731 -4.457 -6.323 1.00 0.00 O ATOM 528 CB ILE A 35 -5.129 -2.979 -3.667 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.490 -2.989 -2.966 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.167 -1.998 -4.838 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.857 -1.565 -2.545 1.00 0.00 C ATOM 0 H ILE A 35 -3.574 -5.184 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.675 -4.772 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.357 -2.671 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.252 -3.390 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.457 -3.641 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.391 -0.998 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.199 -1.991 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.938 -2.305 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.826 -1.571 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.099 -1.181 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.907 -0.926 -3.427 1.00 0.00 H new ATOM 543 N VAL A 36 -2.435 -4.118 -4.583 1.00 0.00 N ATOM 544 CA VAL A 36 -1.221 -4.047 -5.445 1.00 0.00 C ATOM 545 C VAL A 36 -0.004 -4.529 -4.654 1.00 0.00 C ATOM 546 O VAL A 36 0.039 -4.435 -3.444 1.00 0.00 O ATOM 547 CB VAL A 36 -0.998 -2.602 -5.894 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.664 -1.735 -4.679 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.163 -2.552 -6.889 1.00 0.00 C ATOM 0 H VAL A 36 -2.267 -3.998 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.360 -4.682 -6.320 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.903 -2.226 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.505 -0.705 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.490 -1.771 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.241 -2.110 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.323 -1.523 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.068 -2.928 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.074 -3.170 -7.755 1.00 0.00 H new ATOM 559 N ASP A 37 0.986 -5.047 -5.329 1.00 0.00 N ATOM 560 CA ASP A 37 2.199 -5.536 -4.615 1.00 0.00 C ATOM 561 C ASP A 37 3.400 -4.667 -4.996 1.00 0.00 C ATOM 562 O ASP A 37 3.466 -4.124 -6.082 1.00 0.00 O ATOM 563 CB ASP A 37 2.474 -6.988 -5.012 1.00 0.00 C ATOM 564 CG ASP A 37 1.740 -7.928 -4.054 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.342 -7.470 -2.996 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.590 -9.090 -4.395 1.00 0.00 O ATOM 0 H ASP A 37 1.007 -5.153 -6.343 1.00 0.00 H new ATOM 0 HA ASP A 37 2.035 -5.478 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.144 -7.165 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.545 -7.187 -4.984 1.00 0.00 H new ATOM 571 N ILE A 38 4.349 -4.530 -4.112 1.00 0.00 N ATOM 572 CA ILE A 38 5.544 -3.696 -4.425 1.00 0.00 C ATOM 573 C ILE A 38 6.790 -4.583 -4.462 1.00 0.00 C ATOM 574 O ILE A 38 6.909 -5.534 -3.714 1.00 0.00 O ATOM 575 CB ILE A 38 5.713 -2.623 -3.347 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.387 -1.884 -3.152 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.790 -1.628 -3.782 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.064 -1.801 -1.659 1.00 0.00 C ATOM 0 H ILE A 38 4.349 -4.959 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 38 5.410 -3.218 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 38 6.010 -3.093 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.451 -0.882 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.588 -2.404 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.911 -0.864 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.735 -2.153 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.493 -1.157 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.120 -1.275 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.983 -2.807 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.859 -1.262 -1.144 1.00 0.00 H new ATOM 590 N GLU A 39 7.720 -4.282 -5.326 1.00 0.00 N ATOM 591 CA GLU A 39 8.955 -5.111 -5.410 1.00 0.00 C ATOM 592 C GLU A 39 10.173 -4.244 -5.084 1.00 0.00 C ATOM 593 O GLU A 39 10.230 -3.081 -5.430 1.00 0.00 O ATOM 594 CB GLU A 39 9.095 -5.676 -6.825 1.00 0.00 C ATOM 595 CG GLU A 39 9.443 -7.164 -6.748 1.00 0.00 C ATOM 596 CD GLU A 39 10.867 -7.383 -7.265 1.00 0.00 C ATOM 597 OE1 GLU A 39 11.068 -7.246 -8.461 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.729 -7.684 -6.457 1.00 0.00 O ATOM 0 H GLU A 39 7.678 -3.498 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 39 8.891 -5.932 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.166 -5.537 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.872 -5.138 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.360 -7.515 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.736 -7.745 -7.341 1.00 0.00 H new ATOM 605 N THR A 40 11.150 -4.801 -4.422 1.00 0.00 N ATOM 606 CA THR A 40 12.363 -4.010 -4.074 1.00 0.00 C ATOM 607 C THR A 40 13.614 -4.838 -4.375 1.00 0.00 C ATOM 608 O THR A 40 13.544 -6.034 -4.576 1.00 0.00 O ATOM 609 CB THR A 40 12.331 -3.655 -2.586 1.00 0.00 C ATOM 610 OG1 THR A 40 11.118 -2.977 -2.288 1.00 0.00 O ATOM 611 CG2 THR A 40 13.519 -2.751 -2.250 1.00 0.00 C ATOM 0 H THR A 40 11.160 -5.771 -4.107 1.00 0.00 H new ATOM 0 HA THR A 40 12.382 -3.094 -4.665 1.00 0.00 H new ATOM 0 HB THR A 40 12.392 -4.567 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.448 -3.624 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.496 -2.498 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.449 -3.272 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.460 -1.838 -2.842 1.00 0.00 H new ATOM 619 N ASP A 41 14.758 -4.210 -4.410 1.00 0.00 N ATOM 620 CA ASP A 41 16.013 -4.958 -4.699 1.00 0.00 C ATOM 621 C ASP A 41 16.013 -6.280 -3.928 1.00 0.00 C ATOM 622 O ASP A 41 16.491 -7.289 -4.406 1.00 0.00 O ATOM 623 CB ASP A 41 17.217 -4.117 -4.268 1.00 0.00 C ATOM 624 CG ASP A 41 18.497 -4.726 -4.843 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.389 -5.543 -5.743 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.564 -4.363 -4.375 1.00 0.00 O ATOM 0 H ASP A 41 14.877 -3.210 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 41 16.074 -5.163 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.101 -3.091 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.277 -4.079 -3.180 1.00 0.00 H new ATOM 631 N LYS A 42 15.481 -6.281 -2.736 1.00 0.00 N ATOM 632 CA LYS A 42 15.450 -7.537 -1.935 1.00 0.00 C ATOM 633 C LYS A 42 14.354 -7.438 -0.872 1.00 0.00 C ATOM 634 O LYS A 42 14.443 -8.033 0.183 1.00 0.00 O ATOM 635 CB LYS A 42 16.805 -7.740 -1.252 1.00 0.00 C ATOM 636 CG LYS A 42 17.794 -8.346 -2.250 1.00 0.00 C ATOM 637 CD LYS A 42 18.799 -9.226 -1.502 1.00 0.00 C ATOM 638 CE LYS A 42 19.278 -10.349 -2.423 1.00 0.00 C ATOM 639 NZ LYS A 42 20.301 -9.815 -3.368 1.00 0.00 N ATOM 0 H LYS A 42 15.067 -5.467 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 42 15.243 -8.382 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.184 -6.787 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.694 -8.397 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.260 -8.937 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.317 -7.554 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.647 -8.627 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.337 -9.646 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.702 -11.162 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.436 -10.763 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.627 -10.578 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.882 -9.054 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.108 -9.440 -2.830 1.00 0.00 H new ATOM 653 N VAL A 43 13.319 -6.689 -1.142 1.00 0.00 N ATOM 654 CA VAL A 43 12.219 -6.551 -0.147 1.00 0.00 C ATOM 655 C VAL A 43 10.874 -6.510 -0.875 1.00 0.00 C ATOM 656 O VAL A 43 10.609 -5.620 -1.659 1.00 0.00 O ATOM 657 CB VAL A 43 12.410 -5.258 0.646 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.494 -5.271 1.872 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.867 -5.151 1.102 1.00 0.00 C ATOM 0 H VAL A 43 13.188 -6.167 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 43 12.236 -7.401 0.535 1.00 0.00 H new ATOM 0 HB VAL A 43 12.161 -4.405 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.630 -4.349 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.456 -5.349 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.743 -6.124 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.004 -4.229 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.114 -6.004 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.521 -5.143 0.230 1.00 0.00 H new ATOM 669 N VAL A 44 10.022 -7.465 -0.622 1.00 0.00 N ATOM 670 CA VAL A 44 8.695 -7.479 -1.299 1.00 0.00 C ATOM 671 C VAL A 44 7.607 -7.091 -0.296 1.00 0.00 C ATOM 672 O VAL A 44 7.474 -7.690 0.752 1.00 0.00 O ATOM 673 CB VAL A 44 8.412 -8.882 -1.839 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.074 -8.885 -2.581 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.528 -9.290 -2.804 1.00 0.00 C ATOM 0 H VAL A 44 10.188 -8.236 0.024 1.00 0.00 H new ATOM 0 HA VAL A 44 8.701 -6.766 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 44 8.369 -9.588 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.873 -9.885 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.278 -8.593 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.116 -8.179 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.328 -10.290 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.569 -8.583 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.483 -9.288 -2.278 1.00 0.00 H new ATOM 685 N MET A 45 6.829 -6.090 -0.607 1.00 0.00 N ATOM 686 CA MET A 45 5.753 -5.664 0.332 1.00 0.00 C ATOM 687 C MET A 45 4.389 -5.854 -0.335 1.00 0.00 C ATOM 688 O MET A 45 4.287 -6.385 -1.423 1.00 0.00 O ATOM 689 CB MET A 45 5.943 -4.190 0.690 1.00 0.00 C ATOM 690 CG MET A 45 6.976 -4.065 1.812 1.00 0.00 C ATOM 691 SD MET A 45 7.869 -2.500 1.640 1.00 0.00 S ATOM 692 CE MET A 45 6.953 -1.578 2.898 1.00 0.00 C ATOM 0 H MET A 45 6.892 -5.550 -1.470 1.00 0.00 H new ATOM 0 HA MET A 45 5.802 -6.268 1.238 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.273 -3.632 -0.186 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.994 -3.756 1.005 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.482 -4.109 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.675 -4.901 1.772 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.345 -0.563 2.963 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.898 -1.543 2.627 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.063 -2.072 3.863 1.00 0.00 H new ATOM 702 N GLU A 46 3.338 -5.427 0.311 1.00 0.00 N ATOM 703 CA GLU A 46 1.982 -5.584 -0.285 1.00 0.00 C ATOM 704 C GLU A 46 1.148 -4.335 0.007 1.00 0.00 C ATOM 705 O GLU A 46 1.526 -3.495 0.799 1.00 0.00 O ATOM 706 CB GLU A 46 1.296 -6.808 0.326 1.00 0.00 C ATOM 707 CG GLU A 46 1.437 -6.766 1.848 1.00 0.00 C ATOM 708 CD GLU A 46 1.923 -8.127 2.353 1.00 0.00 C ATOM 709 OE1 GLU A 46 2.951 -8.581 1.878 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.257 -8.690 3.206 1.00 0.00 O ATOM 0 H GLU A 46 3.361 -4.976 1.226 1.00 0.00 H new ATOM 0 HA GLU A 46 2.072 -5.717 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.242 -6.824 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.743 -7.722 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.141 -5.986 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.480 -6.517 2.306 1.00 0.00 H new ATOM 717 N VAL A 47 0.015 -4.206 -0.627 1.00 0.00 N ATOM 718 CA VAL A 47 -0.843 -3.012 -0.386 1.00 0.00 C ATOM 719 C VAL A 47 -2.314 -3.430 -0.393 1.00 0.00 C ATOM 720 O VAL A 47 -2.901 -3.655 -1.433 1.00 0.00 O ATOM 721 CB VAL A 47 -0.601 -1.980 -1.488 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.643 -0.864 -1.380 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.800 -1.385 -1.331 1.00 0.00 C ATOM 0 H VAL A 47 -0.354 -4.876 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.595 -2.576 0.582 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.684 -2.463 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.471 -0.128 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.642 -1.287 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.560 -0.381 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.973 -0.649 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.883 -0.903 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.543 -2.179 -1.407 1.00 0.00 H new ATOM 733 N LEU A 48 -2.916 -3.538 0.760 1.00 0.00 N ATOM 734 CA LEU A 48 -4.345 -3.940 0.822 1.00 0.00 C ATOM 735 C LEU A 48 -5.210 -2.705 1.080 1.00 0.00 C ATOM 736 O LEU A 48 -4.718 -1.655 1.441 1.00 0.00 O ATOM 737 CB LEU A 48 -4.554 -4.953 1.953 1.00 0.00 C ATOM 738 CG LEU A 48 -3.413 -4.878 2.973 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.821 -5.614 4.250 1.00 0.00 C ATOM 740 CD2 LEU A 48 -2.161 -5.535 2.386 1.00 0.00 C ATOM 0 H LEU A 48 -2.476 -3.364 1.663 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.630 -4.397 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.504 -4.758 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.611 -5.960 1.539 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.202 -3.834 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.009 -5.561 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.713 -5.149 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.031 -6.658 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.349 -5.482 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.373 -6.579 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.869 -5.013 1.475 1.00 0.00 H new ATOM 752 N ALA A 49 -6.497 -2.822 0.898 1.00 0.00 N ATOM 753 CA ALA A 49 -7.392 -1.655 1.134 1.00 0.00 C ATOM 754 C ALA A 49 -7.727 -1.562 2.624 1.00 0.00 C ATOM 755 O ALA A 49 -7.643 -2.532 3.351 1.00 0.00 O ATOM 756 CB ALA A 49 -8.682 -1.831 0.332 1.00 0.00 C ATOM 0 H ALA A 49 -6.967 -3.675 0.596 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.889 -0.742 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.337 -0.977 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.444 -1.897 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.186 -2.744 0.649 1.00 0.00 H new ATOM 762 N GLU A 50 -8.105 -0.401 3.085 1.00 0.00 N ATOM 763 CA GLU A 50 -8.444 -0.247 4.528 1.00 0.00 C ATOM 764 C GLU A 50 -9.964 -0.178 4.693 1.00 0.00 C ATOM 765 O GLU A 50 -10.470 0.076 5.767 1.00 0.00 O ATOM 766 CB GLU A 50 -7.815 1.040 5.063 1.00 0.00 C ATOM 767 CG GLU A 50 -6.779 0.696 6.134 1.00 0.00 C ATOM 768 CD GLU A 50 -7.493 0.361 7.446 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.386 1.105 7.817 1.00 0.00 O ATOM 770 OE2 GLU A 50 -7.134 -0.632 8.056 1.00 0.00 O ATOM 0 H GLU A 50 -8.194 0.447 2.525 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.058 -1.101 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.343 1.592 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.586 1.687 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.173 -0.151 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.100 1.536 6.281 1.00 0.00 H new ATOM 777 N ALA A 51 -10.698 -0.402 3.636 1.00 0.00 N ATOM 778 CA ALA A 51 -12.184 -0.347 3.737 1.00 0.00 C ATOM 779 C ALA A 51 -12.796 -0.475 2.341 1.00 0.00 C ATOM 780 O ALA A 51 -12.135 -0.271 1.341 1.00 0.00 O ATOM 781 CB ALA A 51 -12.604 0.986 4.358 1.00 0.00 C ATOM 0 H ALA A 51 -10.333 -0.620 2.709 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.536 -1.167 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.691 1.027 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.169 1.077 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.252 1.806 3.732 1.00 0.00 H new ATOM 787 N ASP A 52 -14.055 -0.810 2.263 1.00 0.00 N ATOM 788 CA ASP A 52 -14.709 -0.950 0.932 1.00 0.00 C ATOM 789 C ASP A 52 -14.633 0.386 0.187 1.00 0.00 C ATOM 790 O ASP A 52 -14.250 1.400 0.738 1.00 0.00 O ATOM 791 CB ASP A 52 -16.173 -1.383 1.131 1.00 0.00 C ATOM 792 CG ASP A 52 -17.068 -0.849 0.005 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.521 0.277 0.120 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.283 -1.578 -0.950 1.00 0.00 O ATOM 0 H ASP A 52 -14.659 -0.993 3.064 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.198 -1.708 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.232 -2.471 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.536 -1.017 2.092 1.00 0.00 H new ATOM 799 N GLY A 53 -14.998 0.386 -1.062 1.00 0.00 N ATOM 800 CA GLY A 53 -14.953 1.647 -1.857 1.00 0.00 C ATOM 801 C GLY A 53 -14.643 1.318 -3.318 1.00 0.00 C ATOM 802 O GLY A 53 -14.758 0.188 -3.747 1.00 0.00 O ATOM 0 H GLY A 53 -15.327 -0.435 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.907 2.169 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.193 2.316 -1.455 1.00 0.00 H new ATOM 806 N VAL A 54 -14.251 2.297 -4.086 1.00 0.00 N ATOM 807 CA VAL A 54 -13.934 2.038 -5.519 1.00 0.00 C ATOM 808 C VAL A 54 -12.612 2.717 -5.881 1.00 0.00 C ATOM 809 O VAL A 54 -12.474 3.920 -5.782 1.00 0.00 O ATOM 810 CB VAL A 54 -15.056 2.593 -6.399 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.596 2.636 -7.857 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.284 1.688 -6.281 1.00 0.00 C ATOM 0 H VAL A 54 -14.137 3.264 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.844 0.964 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.308 3.602 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.398 3.032 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.719 3.278 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.342 1.629 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.086 2.080 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.027 0.681 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.615 1.658 -5.243 1.00 0.00 H new ATOM 822 N ILE A 55 -11.640 1.954 -6.297 1.00 0.00 N ATOM 823 CA ILE A 55 -10.327 2.551 -6.664 1.00 0.00 C ATOM 824 C ILE A 55 -10.546 3.769 -7.562 1.00 0.00 C ATOM 825 O ILE A 55 -11.654 4.068 -7.961 1.00 0.00 O ATOM 826 CB ILE A 55 -9.490 1.514 -7.408 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.619 0.167 -6.698 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.023 1.949 -7.415 1.00 0.00 C ATOM 829 CD1 ILE A 55 -10.624 -0.703 -7.446 1.00 0.00 C ATOM 0 H ILE A 55 -11.699 0.941 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.805 2.861 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.843 1.425 -8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.650 -0.330 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.944 0.315 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.426 1.208 -7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.932 2.914 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.664 2.036 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.719 -1.665 -6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.594 -0.206 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.279 -0.861 -8.468 1.00 0.00 H new ATOM 841 N ALA A 56 -9.498 4.477 -7.885 1.00 0.00 N ATOM 842 CA ALA A 56 -9.648 5.674 -8.757 1.00 0.00 C ATOM 843 C ALA A 56 -8.983 5.406 -10.110 1.00 0.00 C ATOM 844 O ALA A 56 -9.623 5.427 -11.141 1.00 0.00 O ATOM 845 CB ALA A 56 -8.979 6.879 -8.092 1.00 0.00 C ATOM 0 H ALA A 56 -8.545 4.277 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.707 5.883 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.089 7.755 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.451 7.071 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.920 6.670 -7.942 1.00 0.00 H new ATOM 851 N GLU A 57 -7.702 5.153 -10.113 1.00 0.00 N ATOM 852 CA GLU A 57 -7.001 4.884 -11.399 1.00 0.00 C ATOM 853 C GLU A 57 -5.507 4.682 -11.134 1.00 0.00 C ATOM 854 O GLU A 57 -4.903 5.393 -10.356 1.00 0.00 O ATOM 855 CB GLU A 57 -7.194 6.071 -12.345 1.00 0.00 C ATOM 856 CG GLU A 57 -7.821 5.586 -13.653 1.00 0.00 C ATOM 857 CD GLU A 57 -7.293 6.427 -14.816 1.00 0.00 C ATOM 858 OE1 GLU A 57 -6.096 6.395 -15.048 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.095 7.089 -15.455 1.00 0.00 O ATOM 0 H GLU A 57 -7.112 5.121 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.415 3.985 -11.855 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.834 6.820 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.235 6.550 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.584 4.534 -13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.907 5.663 -13.598 1.00 0.00 H new ATOM 866 N ILE A 58 -4.906 3.718 -11.777 1.00 0.00 N ATOM 867 CA ILE A 58 -3.452 3.472 -11.561 1.00 0.00 C ATOM 868 C ILE A 58 -2.649 4.199 -12.642 1.00 0.00 C ATOM 869 O ILE A 58 -2.907 4.060 -13.821 1.00 0.00 O ATOM 870 CB ILE A 58 -3.172 1.970 -11.640 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.089 1.229 -10.664 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.711 1.702 -11.269 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.043 1.917 -9.298 1.00 0.00 C ATOM 0 H ILE A 58 -5.359 3.091 -12.442 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.161 3.844 -10.579 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.359 1.619 -12.655 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.111 1.220 -11.044 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.774 0.190 -10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.512 0.632 -11.325 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.057 2.230 -11.963 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.523 2.053 -10.254 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.696 1.389 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.022 1.903 -8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.379 2.949 -9.399 1.00 0.00 H new ATOM 885 N VAL A 59 -1.675 4.974 -12.250 1.00 0.00 N ATOM 886 CA VAL A 59 -0.857 5.710 -13.255 1.00 0.00 C ATOM 887 C VAL A 59 0.338 4.850 -13.670 1.00 0.00 C ATOM 888 O VAL A 59 0.783 4.893 -14.800 1.00 0.00 O ATOM 889 CB VAL A 59 -0.356 7.020 -12.644 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.504 7.764 -13.667 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.552 7.890 -12.253 1.00 0.00 C ATOM 0 H VAL A 59 -1.410 5.129 -11.277 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.468 5.928 -14.131 1.00 0.00 H new ATOM 0 HB VAL A 59 0.241 6.803 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.861 8.697 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.356 7.144 -13.945 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.092 7.981 -14.554 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.196 8.824 -11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.149 8.107 -13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.165 7.360 -11.524 1.00 0.00 H new ATOM 901 N LYS A 60 0.863 4.069 -12.766 1.00 0.00 N ATOM 902 CA LYS A 60 2.030 3.209 -13.111 1.00 0.00 C ATOM 903 C LYS A 60 1.544 1.795 -13.436 1.00 0.00 C ATOM 904 O LYS A 60 0.587 1.311 -12.865 1.00 0.00 O ATOM 905 CB LYS A 60 2.993 3.156 -11.923 1.00 0.00 C ATOM 906 CG LYS A 60 4.319 3.813 -12.310 1.00 0.00 C ATOM 907 CD LYS A 60 5.197 3.964 -11.066 1.00 0.00 C ATOM 908 CE LYS A 60 4.521 4.915 -10.076 1.00 0.00 C ATOM 909 NZ LYS A 60 4.403 4.249 -8.749 1.00 0.00 N ATOM 0 H LYS A 60 0.534 3.989 -11.804 1.00 0.00 H new ATOM 0 HA LYS A 60 2.544 3.625 -13.978 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.558 3.669 -11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.161 2.121 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.832 3.209 -13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.136 4.789 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.357 2.991 -10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.178 4.349 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.101 5.833 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.534 5.197 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.573 4.622 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.294 3.223 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.259 4.436 -8.189 1.00 0.00 H new ATOM 923 N ASN A 61 2.195 1.130 -14.351 1.00 0.00 N ATOM 924 CA ASN A 61 1.769 -0.251 -14.713 1.00 0.00 C ATOM 925 C ASN A 61 2.809 -1.253 -14.209 1.00 0.00 C ATOM 926 O ASN A 61 3.886 -0.885 -13.784 1.00 0.00 O ATOM 927 CB ASN A 61 1.647 -0.365 -16.234 1.00 0.00 C ATOM 928 CG ASN A 61 0.660 0.686 -16.747 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.475 0.377 -17.046 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.050 1.927 -16.863 1.00 0.00 N ATOM 0 H ASN A 61 3.003 1.483 -14.863 1.00 0.00 H new ATOM 0 HA ASN A 61 0.804 -0.466 -14.254 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.622 -0.221 -16.699 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.307 -1.363 -16.508 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.401 2.636 -17.205 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.004 2.187 -16.612 1.00 0.00 H new ATOM 937 N GLU A 62 2.496 -2.520 -14.252 1.00 0.00 N ATOM 938 CA GLU A 62 3.467 -3.544 -13.775 1.00 0.00 C ATOM 939 C GLU A 62 4.710 -3.526 -14.667 1.00 0.00 C ATOM 940 O GLU A 62 4.642 -3.200 -15.837 1.00 0.00 O ATOM 941 CB GLU A 62 2.818 -4.929 -13.835 1.00 0.00 C ATOM 942 CG GLU A 62 1.487 -4.904 -13.083 1.00 0.00 C ATOM 943 CD GLU A 62 0.696 -6.173 -13.406 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.321 -7.181 -13.692 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.522 -6.116 -13.361 1.00 0.00 O ATOM 0 H GLU A 62 1.610 -2.889 -14.597 1.00 0.00 H new ATOM 0 HA GLU A 62 3.754 -3.320 -12.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.656 -5.221 -14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.482 -5.673 -13.395 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.665 -4.836 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.913 -4.022 -13.367 1.00 0.00 H new ATOM 952 N GLY A 63 5.845 -3.873 -14.126 1.00 0.00 N ATOM 953 CA GLY A 63 7.091 -3.876 -14.945 1.00 0.00 C ATOM 954 C GLY A 63 7.695 -2.471 -14.969 1.00 0.00 C ATOM 955 O GLY A 63 8.662 -2.212 -15.658 1.00 0.00 O ATOM 0 H GLY A 63 5.964 -4.155 -13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.809 -4.584 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.870 -4.205 -15.960 1.00 0.00 H new ATOM 959 N ASP A 64 7.135 -1.558 -14.221 1.00 0.00 N ATOM 960 CA ASP A 64 7.681 -0.172 -14.205 1.00 0.00 C ATOM 961 C ASP A 64 8.445 0.055 -12.897 1.00 0.00 C ATOM 962 O ASP A 64 8.402 -0.751 -11.989 1.00 0.00 O ATOM 963 CB ASP A 64 6.522 0.830 -14.342 1.00 0.00 C ATOM 964 CG ASP A 64 6.839 2.147 -13.623 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.594 2.222 -12.431 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.321 3.056 -14.279 1.00 0.00 O ATOM 0 H ASP A 64 6.324 -1.713 -13.622 1.00 0.00 H new ATOM 0 HA ASP A 64 8.368 -0.027 -15.039 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.330 1.026 -15.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.612 0.396 -13.927 1.00 0.00 H new ATOM 971 N THR A 65 9.139 1.152 -12.803 1.00 0.00 N ATOM 972 CA THR A 65 9.910 1.447 -11.563 1.00 0.00 C ATOM 973 C THR A 65 9.116 2.419 -10.688 1.00 0.00 C ATOM 974 O THR A 65 8.308 3.187 -11.172 1.00 0.00 O ATOM 975 CB THR A 65 11.255 2.076 -11.937 1.00 0.00 C ATOM 976 OG1 THR A 65 12.103 2.086 -10.798 1.00 0.00 O ATOM 977 CG2 THR A 65 11.035 3.508 -12.426 1.00 0.00 C ATOM 0 H THR A 65 9.207 1.861 -13.534 1.00 0.00 H new ATOM 0 HA THR A 65 10.082 0.522 -11.013 1.00 0.00 H new ATOM 0 HB THR A 65 11.720 1.493 -12.732 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.012 1.238 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.994 3.953 -12.691 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.385 3.498 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.569 4.095 -11.635 1.00 0.00 H new ATOM 985 N VAL A 66 9.338 2.392 -9.402 1.00 0.00 N ATOM 986 CA VAL A 66 8.595 3.314 -8.498 1.00 0.00 C ATOM 987 C VAL A 66 9.591 4.130 -7.671 1.00 0.00 C ATOM 988 O VAL A 66 10.568 3.610 -7.169 1.00 0.00 O ATOM 989 CB VAL A 66 7.700 2.501 -7.562 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.610 1.802 -8.376 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.545 1.452 -6.836 1.00 0.00 C ATOM 0 H VAL A 66 10.002 1.771 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 66 7.979 3.988 -9.094 1.00 0.00 H new ATOM 0 HB VAL A 66 7.237 3.166 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.972 1.223 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.009 2.548 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.071 1.136 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.909 0.871 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.007 0.788 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.322 1.949 -6.256 1.00 0.00 H new ATOM 1001 N LEU A 67 9.352 5.404 -7.525 1.00 0.00 N ATOM 1002 CA LEU A 67 10.285 6.252 -6.730 1.00 0.00 C ATOM 1003 C LEU A 67 9.801 6.319 -5.280 1.00 0.00 C ATOM 1004 O LEU A 67 8.667 6.005 -4.978 1.00 0.00 O ATOM 1005 CB LEU A 67 10.322 7.662 -7.321 1.00 0.00 C ATOM 1006 CG LEU A 67 11.768 8.156 -7.373 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.176 8.390 -8.828 1.00 0.00 C ATOM 1008 CD2 LEU A 67 11.886 9.468 -6.595 1.00 0.00 C ATOM 0 H LEU A 67 8.551 5.895 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 67 11.285 5.820 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.891 7.659 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.717 8.337 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 67 12.423 7.407 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.207 8.742 -8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.091 7.456 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.521 9.138 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.917 9.821 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.230 10.216 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.595 9.303 -5.557 1.00 0.00 H new ATOM 1020 N SER A 68 10.654 6.727 -4.379 1.00 0.00 N ATOM 1021 CA SER A 68 10.242 6.814 -2.950 1.00 0.00 C ATOM 1022 C SER A 68 9.002 7.702 -2.830 1.00 0.00 C ATOM 1023 O SER A 68 9.004 8.846 -3.236 1.00 0.00 O ATOM 1024 CB SER A 68 11.382 7.416 -2.127 1.00 0.00 C ATOM 1025 OG SER A 68 11.018 7.416 -0.752 1.00 0.00 O ATOM 0 H SER A 68 11.617 7.003 -4.571 1.00 0.00 H new ATOM 0 HA SER A 68 10.012 5.816 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.296 6.840 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.589 8.433 -2.460 1.00 0.00 H new ATOM 0 HG SER A 68 10.564 8.256 -0.534 1.00 0.00 H new ATOM 1031 N GLY A 69 7.941 7.183 -2.275 1.00 0.00 N ATOM 1032 CA GLY A 69 6.702 7.999 -2.129 1.00 0.00 C ATOM 1033 C GLY A 69 6.113 8.286 -3.512 1.00 0.00 C ATOM 1034 O GLY A 69 5.574 9.346 -3.760 1.00 0.00 O ATOM 0 H GLY A 69 7.878 6.230 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.974 7.468 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.928 8.934 -1.617 1.00 0.00 H new ATOM 1038 N GLU A 70 6.212 7.349 -4.415 1.00 0.00 N ATOM 1039 CA GLU A 70 5.659 7.569 -5.781 1.00 0.00 C ATOM 1040 C GLU A 70 4.146 7.340 -5.761 1.00 0.00 C ATOM 1041 O GLU A 70 3.659 6.401 -5.163 1.00 0.00 O ATOM 1042 CB GLU A 70 6.310 6.590 -6.760 1.00 0.00 C ATOM 1043 CG GLU A 70 6.054 7.055 -8.194 1.00 0.00 C ATOM 1044 CD GLU A 70 6.629 8.460 -8.386 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.822 8.563 -8.618 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.865 9.408 -8.299 1.00 0.00 O ATOM 0 H GLU A 70 6.652 6.441 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 70 5.868 8.591 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.382 6.530 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.904 5.589 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.514 6.363 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.984 7.057 -8.401 1.00 0.00 H new ATOM 1053 N LEU A 71 3.399 8.191 -6.410 1.00 0.00 N ATOM 1054 CA LEU A 71 1.918 8.021 -6.427 1.00 0.00 C ATOM 1055 C LEU A 71 1.543 6.920 -7.423 1.00 0.00 C ATOM 1056 O LEU A 71 1.791 7.032 -8.607 1.00 0.00 O ATOM 1057 CB LEU A 71 1.258 9.336 -6.847 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.259 9.152 -6.898 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.946 10.482 -6.588 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -0.667 8.682 -8.297 1.00 0.00 C ATOM 0 H LEU A 71 3.750 8.996 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 71 1.572 7.744 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.516 10.126 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.630 9.647 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.560 8.408 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.027 10.350 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.655 10.819 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.646 11.227 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.748 8.550 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.366 9.427 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.178 7.734 -8.519 1.00 0.00 H new ATOM 1072 N LEU A 72 0.947 5.860 -6.953 1.00 0.00 N ATOM 1073 CA LEU A 72 0.557 4.755 -7.874 1.00 0.00 C ATOM 1074 C LEU A 72 -0.930 4.877 -8.213 1.00 0.00 C ATOM 1075 O LEU A 72 -1.417 4.262 -9.142 1.00 0.00 O ATOM 1076 CB LEU A 72 0.816 3.409 -7.194 1.00 0.00 C ATOM 1077 CG LEU A 72 2.127 3.477 -6.409 1.00 0.00 C ATOM 1078 CD1 LEU A 72 1.840 3.293 -4.917 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.065 2.366 -6.886 1.00 0.00 C ATOM 0 H LEU A 72 0.713 5.711 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 72 1.146 4.819 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.008 3.163 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.868 2.616 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 72 2.597 4.447 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.775 3.342 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.171 4.083 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.370 2.323 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.000 2.414 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.594 1.397 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.271 2.495 -7.949 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.656 5.664 -7.468 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.111 5.824 -7.748 1.00 0.00 C ATOM 1093 C GLY A 73 -3.813 6.365 -6.502 1.00 0.00 C ATOM 1094 O GLY A 73 -3.180 6.775 -5.550 1.00 0.00 O ATOM 0 H GLY A 73 -1.305 6.204 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.258 6.505 -8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.544 4.866 -8.036 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.119 6.368 -6.499 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.859 6.882 -5.311 1.00 0.00 C ATOM 1100 C LYS A 74 -7.198 6.153 -5.190 1.00 0.00 C ATOM 1101 O LYS A 74 -7.755 5.691 -6.166 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.108 8.383 -5.476 1.00 0.00 C ATOM 1103 CG LYS A 74 -6.364 8.699 -6.951 1.00 0.00 C ATOM 1104 CD LYS A 74 -6.350 10.214 -7.159 1.00 0.00 C ATOM 1105 CE LYS A 74 -7.777 10.756 -7.070 1.00 0.00 C ATOM 1106 NZ LYS A 74 -7.749 12.245 -7.130 1.00 0.00 N ATOM 0 H LYS A 74 -5.704 6.037 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.268 6.708 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.964 8.689 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.247 8.947 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.601 8.229 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.325 8.288 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.722 10.689 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.919 10.454 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.379 10.360 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.245 10.428 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.720 12.613 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.189 12.614 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.319 12.548 -8.027 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.720 6.047 -3.999 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.023 5.348 -3.816 1.00 0.00 C ATOM 1122 C LEU A 75 -10.130 6.382 -3.595 1.00 0.00 C ATOM 1123 O LEU A 75 -9.879 7.492 -3.170 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.937 4.425 -2.599 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.098 3.430 -2.630 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.548 2.003 -2.649 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.967 3.623 -1.384 1.00 0.00 C ATOM 0 H LEU A 75 -7.301 6.414 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.249 4.759 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.987 3.891 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.971 5.012 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.698 3.600 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.376 1.294 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.928 1.864 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.948 1.832 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.795 2.914 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.366 3.452 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.360 4.640 -1.368 1.00 0.00 H new ATOM 1139 N THR A 76 -11.352 6.025 -3.879 1.00 0.00 N ATOM 1140 CA THR A 76 -12.473 6.987 -3.682 1.00 0.00 C ATOM 1141 C THR A 76 -13.091 6.774 -2.300 1.00 0.00 C ATOM 1142 O THR A 76 -12.799 5.811 -1.621 1.00 0.00 O ATOM 1143 CB THR A 76 -13.536 6.758 -4.759 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.904 6.588 -6.019 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.477 7.963 -4.816 1.00 0.00 C ATOM 0 H THR A 76 -11.623 5.110 -4.239 1.00 0.00 H new ATOM 0 HA THR A 76 -12.095 8.007 -3.756 1.00 0.00 H new ATOM 0 HB THR A 76 -14.110 5.864 -4.517 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.641 5.650 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.233 7.798 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.963 8.091 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.906 8.860 -5.056 1.00 0.00 H new ATOM 1153 N GLU A 77 -13.946 7.666 -1.878 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.581 7.513 -0.539 1.00 0.00 C ATOM 1155 C GLU A 77 -15.253 6.140 -0.447 1.00 0.00 C ATOM 1156 O GLU A 77 -15.940 5.713 -1.353 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.631 8.608 -0.344 1.00 0.00 C ATOM 1158 CG GLU A 77 -14.935 9.928 -0.007 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.983 10.978 0.368 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -17.158 10.651 0.336 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.592 12.091 0.679 1.00 0.00 O ATOM 0 H GLU A 77 -14.232 8.493 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.819 7.598 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.228 8.720 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.316 8.331 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.238 9.783 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.351 10.271 -0.861 1.00 0.00 H new ATOM 1168 N GLY A 78 -15.058 5.446 0.640 1.00 0.00 N ATOM 1169 CA GLY A 78 -15.685 4.102 0.788 1.00 0.00 C ATOM 1170 C GLY A 78 -17.127 4.261 1.274 1.00 0.00 C ATOM 1171 O GLY A 78 -17.400 4.982 2.213 1.00 0.00 O ATOM 0 H GLY A 78 -14.492 5.751 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.668 3.574 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.116 3.500 1.496 1.00 0.00 H new ATOM 1175 N GLY A 79 -18.052 3.592 0.643 1.00 0.00 N ATOM 1176 CA GLY A 79 -19.476 3.704 1.069 1.00 0.00 C ATOM 1177 C GLY A 79 -20.172 2.355 0.888 1.00 0.00 C ATOM 1178 O GLY A 79 -19.476 1.353 0.838 1.00 0.00 O ATOM 0 H GLY A 79 -17.884 2.972 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -19.531 4.016 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.983 4.468 0.480 1.00 0.00 H new TER 1182 GLY A 79