USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 180:sc= 0.421 USER MOD Set 1.2: A 73 THR OG1 : rot 44:sc= 0.0413 USER MOD Set 1.3: A 74 HIS : no HE2:sc= 0.302 K(o=0.76,f=-3.2!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -146:sc= 2.07 (180deg=-0.159) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.916 K(o=3,f=-3.3) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.467 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.319 K(o=0.79,f=-0.023) USER MOD Single : A 8 ASN : amide:sc= 0.815 K(o=0.82,f=-2) USER MOD Single : A 9 GLN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD Single : A 14 THR OG1 : rot -140:sc= -0.244 USER MOD Single : A 15 ASN : amide:sc= 0.654 K(o=0.65,f=-0.4) USER MOD Single : A 20 THR OG1 : rot 98:sc= 1.02 USER MOD Single : A 21 ASN : amide:sc= 0.102 K(o=0.1,f=-2.4!) USER MOD Single : A 23 MET CE :methyl 151:sc= -0.0549 (180deg=-0.241) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 91:sc= 1.31 USER MOD Single : A 27 MET CE :methyl -170:sc= 0 (180deg=-0.123) USER MOD Single : A 30 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.11) USER MOD Single : A 31 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 1.09 (180deg=0.912) USER MOD Single : A 45 HIS : no HE2:sc= 0.842 K(o=0.84,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.107 USER MOD Single : A 58 SER OG : rot 143:sc= 1 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.724) USER MOD Single : A 76 MET CE :methyl 175:sc= -0.347 (180deg=-0.396) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 26:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.278 6.357 9.226 1.00 0.00 N ATOM 91 CA PRO A 7 13.336 6.778 8.314 1.00 0.00 C ATOM 92 C PRO A 7 14.614 5.929 8.365 1.00 0.00 C ATOM 93 O PRO A 7 15.039 5.486 9.437 1.00 0.00 O ATOM 94 CB PRO A 7 13.616 8.239 8.666 1.00 0.00 C ATOM 95 CG PRO A 7 12.270 8.742 9.172 1.00 0.00 C ATOM 96 CD PRO A 7 11.700 7.520 9.890 1.00 0.00 C ATOM 0 HA PRO A 7 13.000 6.646 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.391 8.328 9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.956 8.804 7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.383 9.591 9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.627 9.067 8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.959 7.534 10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.612 7.504 9.828 1.00 0.00 H new ATOM 104 N ASN A 8 15.269 5.782 7.210 1.00 0.00 N ATOM 105 CA ASN A 8 16.591 5.179 7.050 1.00 0.00 C ATOM 106 C ASN A 8 17.354 6.004 6.009 1.00 0.00 C ATOM 107 O ASN A 8 16.741 6.576 5.106 1.00 0.00 O ATOM 108 CB ASN A 8 16.469 3.704 6.606 1.00 0.00 C ATOM 109 CG ASN A 8 17.834 3.044 6.437 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.812 3.412 7.084 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.949 2.084 5.543 1.00 0.00 N ATOM 0 H ASN A 8 14.873 6.094 6.323 1.00 0.00 H new ATOM 0 HA ASN A 8 17.128 5.183 7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.887 3.150 7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.922 3.653 5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.854 1.641 5.384 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.133 1.783 5.010 1.00 0.00 H new ATOM 118 N GLN A 9 18.683 6.073 6.109 1.00 0.00 N ATOM 119 CA GLN A 9 19.544 6.825 5.192 1.00 0.00 C ATOM 120 C GLN A 9 19.762 6.106 3.848 1.00 0.00 C ATOM 121 O GLN A 9 20.611 6.524 3.062 1.00 0.00 O ATOM 122 CB GLN A 9 20.866 7.197 5.889 1.00 0.00 C ATOM 123 CG GLN A 9 21.821 6.015 6.124 1.00 0.00 C ATOM 124 CD GLN A 9 23.098 6.458 6.838 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.347 6.093 7.985 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.934 7.251 6.187 1.00 0.00 N ATOM 0 H GLN A 9 19.203 5.597 6.846 1.00 0.00 H new ATOM 0 HA GLN A 9 19.028 7.750 4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.379 7.948 5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.638 7.659 6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.317 5.252 6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.077 5.558 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.718 7.548 5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.794 7.565 6.637 1.00 0.00 H new ATOM 135 N ILE A 10 19.035 5.014 3.583 1.00 0.00 N ATOM 136 CA ILE A 10 19.105 4.250 2.346 1.00 0.00 C ATOM 137 C ILE A 10 17.654 4.017 1.932 1.00 0.00 C ATOM 138 O ILE A 10 16.793 3.725 2.770 1.00 0.00 O ATOM 139 CB ILE A 10 19.908 2.930 2.510 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.267 3.165 3.213 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.121 2.246 1.140 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.131 1.911 3.394 1.00 0.00 C ATOM 0 H ILE A 10 18.363 4.631 4.248 1.00 0.00 H new ATOM 0 HA ILE A 10 19.650 4.790 1.572 1.00 0.00 H new ATOM 0 HB ILE A 10 19.318 2.269 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.834 3.898 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.080 3.603 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.685 1.324 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.153 2.016 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.675 2.915 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.061 2.179 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.591 1.181 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.356 1.480 2.418 1.00 0.00 H new ATOM 154 N LEU A 11 17.393 4.146 0.638 1.00 0.00 N ATOM 155 CA LEU A 11 16.084 4.113 0.002 1.00 0.00 C ATOM 156 C LEU A 11 16.132 3.042 -1.077 1.00 0.00 C ATOM 157 O LEU A 11 17.182 2.817 -1.682 1.00 0.00 O ATOM 158 CB LEU A 11 15.785 5.489 -0.631 1.00 0.00 C ATOM 159 CG LEU A 11 14.865 6.422 0.177 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.264 6.516 1.649 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.900 7.826 -0.442 1.00 0.00 C ATOM 0 H LEU A 11 18.142 4.286 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 11 15.301 3.890 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.732 6.002 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.333 5.325 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 11 13.861 6.000 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.581 7.187 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.216 5.526 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.280 6.902 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.250 8.491 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.920 8.209 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.555 7.777 -1.475 1.00 0.00 H new ATOM 173 N PHE A 12 14.983 2.437 -1.345 1.00 0.00 N ATOM 174 CA PHE A 12 14.754 1.544 -2.463 1.00 0.00 C ATOM 175 C PHE A 12 13.675 2.199 -3.309 1.00 0.00 C ATOM 176 O PHE A 12 12.687 2.717 -2.777 1.00 0.00 O ATOM 177 CB PHE A 12 14.318 0.163 -1.969 1.00 0.00 C ATOM 178 CG PHE A 12 13.981 -0.796 -3.096 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.998 -1.262 -3.948 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.652 -1.204 -3.317 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.702 -2.161 -4.986 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.355 -2.117 -4.346 1.00 0.00 C ATOM 183 CZ PHE A 12 13.380 -2.600 -5.179 1.00 0.00 C ATOM 0 H PHE A 12 14.154 2.563 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 12 15.662 1.387 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.114 -0.266 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.448 0.274 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.014 -0.926 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.859 -0.816 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.489 -2.515 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.338 -2.447 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.153 -3.306 -5.964 1.00 0.00 H new ATOM 193 N LEU A 13 13.878 2.198 -4.619 1.00 0.00 N ATOM 194 CA LEU A 13 13.094 2.943 -5.585 1.00 0.00 C ATOM 195 C LEU A 13 12.593 1.973 -6.637 1.00 0.00 C ATOM 196 O LEU A 13 13.290 1.020 -6.982 1.00 0.00 O ATOM 197 CB LEU A 13 13.969 4.018 -6.250 1.00 0.00 C ATOM 198 CG LEU A 13 13.742 5.428 -5.695 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.311 5.579 -4.281 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.430 6.430 -6.619 1.00 0.00 C ATOM 0 H LEU A 13 14.625 1.655 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 13 12.255 3.432 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.018 3.751 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.771 4.023 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 13 12.669 5.611 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.130 6.592 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.825 4.866 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.384 5.386 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.278 7.440 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.498 6.214 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.006 6.352 -7.620 1.00 0.00 H new ATOM 212 N THR A 14 11.403 2.245 -7.160 1.00 0.00 N ATOM 213 CA THR A 14 10.642 1.360 -8.030 1.00 0.00 C ATOM 214 C THR A 14 9.846 2.172 -9.058 1.00 0.00 C ATOM 215 O THR A 14 9.750 3.400 -8.961 1.00 0.00 O ATOM 216 CB THR A 14 9.711 0.478 -7.166 1.00 0.00 C ATOM 217 OG1 THR A 14 9.407 1.042 -5.896 1.00 0.00 O ATOM 218 CG2 THR A 14 10.323 -0.888 -6.909 1.00 0.00 C ATOM 0 H THR A 14 10.923 3.127 -6.981 1.00 0.00 H new ATOM 0 HA THR A 14 11.324 0.714 -8.583 1.00 0.00 H new ATOM 0 HB THR A 14 8.794 0.400 -7.749 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.410 0.337 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.643 -1.482 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.495 -1.394 -7.859 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.271 -0.769 -6.384 1.00 0.00 H new ATOM 226 N ASN A 15 9.245 1.471 -10.028 1.00 0.00 N ATOM 227 CA ASN A 15 8.464 2.025 -11.138 1.00 0.00 C ATOM 228 C ASN A 15 9.249 3.069 -11.950 1.00 0.00 C ATOM 229 O ASN A 15 8.686 4.024 -12.487 1.00 0.00 O ATOM 230 CB ASN A 15 7.103 2.536 -10.634 1.00 0.00 C ATOM 231 CG ASN A 15 6.140 2.833 -11.782 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.910 1.995 -12.651 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.532 4.008 -11.799 1.00 0.00 N ATOM 0 H ASN A 15 9.293 0.453 -10.060 1.00 0.00 H new ATOM 0 HA ASN A 15 8.262 1.221 -11.846 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.659 1.792 -9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.252 3.440 -10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.864 4.226 -12.539 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.731 4.696 -11.072 1.00 0.00 H new ATOM 240 N LEU A 16 10.575 2.916 -11.997 1.00 0.00 N ATOM 241 CA LEU A 16 11.481 3.811 -12.712 1.00 0.00 C ATOM 242 C LEU A 16 11.419 3.494 -14.218 1.00 0.00 C ATOM 243 O LEU A 16 10.982 2.395 -14.580 1.00 0.00 O ATOM 244 CB LEU A 16 12.916 3.642 -12.176 1.00 0.00 C ATOM 245 CG LEU A 16 13.067 3.593 -10.643 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.531 3.351 -10.283 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.564 4.868 -9.958 1.00 0.00 C ATOM 0 H LEU A 16 11.056 2.149 -11.528 1.00 0.00 H new ATOM 0 HA LEU A 16 11.179 4.847 -12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.331 2.723 -12.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.522 4.465 -12.554 1.00 0.00 H new ATOM 0 HG LEU A 16 12.448 2.773 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.638 3.316 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.859 2.404 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.142 4.160 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.695 4.778 -8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.131 5.725 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.507 5.010 -10.185 1.00 0.00 H new ATOM 259 N PRO A 17 11.854 4.409 -15.104 1.00 0.00 N ATOM 260 CA PRO A 17 12.036 4.127 -16.522 1.00 0.00 C ATOM 261 C PRO A 17 12.832 2.836 -16.751 1.00 0.00 C ATOM 262 O PRO A 17 13.800 2.548 -16.042 1.00 0.00 O ATOM 263 CB PRO A 17 12.764 5.336 -17.114 1.00 0.00 C ATOM 264 CG PRO A 17 12.412 6.474 -16.163 1.00 0.00 C ATOM 265 CD PRO A 17 12.167 5.799 -14.816 1.00 0.00 C ATOM 0 HA PRO A 17 11.072 3.970 -17.006 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.841 5.172 -17.160 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.430 5.546 -18.130 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.222 7.200 -16.099 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.527 7.012 -16.502 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.048 5.875 -14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.346 6.280 -14.284 1.00 0.00 H new ATOM 273 N GLU A 18 12.516 2.118 -17.826 1.00 0.00 N ATOM 274 CA GLU A 18 13.281 0.955 -18.281 1.00 0.00 C ATOM 275 C GLU A 18 14.651 1.341 -18.870 1.00 0.00 C ATOM 276 O GLU A 18 15.379 0.485 -19.375 1.00 0.00 O ATOM 277 CB GLU A 18 12.426 0.129 -19.254 1.00 0.00 C ATOM 278 CG GLU A 18 12.071 0.861 -20.558 1.00 0.00 C ATOM 279 CD GLU A 18 11.159 0.002 -21.452 1.00 0.00 C ATOM 280 OE1 GLU A 18 11.672 -0.815 -22.253 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.917 0.144 -21.382 1.00 0.00 O ATOM 0 H GLU A 18 11.711 2.329 -18.415 1.00 0.00 H new ATOM 0 HA GLU A 18 13.513 0.333 -17.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.960 -0.789 -19.500 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.504 -0.163 -18.752 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.573 1.802 -20.325 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.985 1.109 -21.099 1.00 0.00 H new ATOM 288 N GLU A 19 15.011 2.626 -18.792 1.00 0.00 N ATOM 289 CA GLU A 19 16.221 3.230 -19.317 1.00 0.00 C ATOM 290 C GLU A 19 16.919 4.106 -18.255 1.00 0.00 C ATOM 291 O GLU A 19 17.792 4.908 -18.593 1.00 0.00 O ATOM 292 CB GLU A 19 15.902 4.047 -20.587 1.00 0.00 C ATOM 293 CG GLU A 19 15.051 3.306 -21.629 1.00 0.00 C ATOM 294 CD GLU A 19 14.970 4.089 -22.951 1.00 0.00 C ATOM 295 OE1 GLU A 19 14.082 4.959 -23.100 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.786 3.835 -23.867 1.00 0.00 O ATOM 0 H GLU A 19 14.417 3.312 -18.326 1.00 0.00 H new ATOM 0 HA GLU A 19 16.912 2.431 -19.584 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.382 4.959 -20.295 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.840 4.350 -21.053 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.478 2.320 -21.814 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.047 3.150 -21.235 1.00 0.00 H new ATOM 303 N THR A 20 16.517 4.003 -16.981 1.00 0.00 N ATOM 304 CA THR A 20 17.108 4.768 -15.884 1.00 0.00 C ATOM 305 C THR A 20 18.602 4.439 -15.780 1.00 0.00 C ATOM 306 O THR A 20 19.021 3.302 -16.018 1.00 0.00 O ATOM 307 CB THR A 20 16.368 4.462 -14.568 1.00 0.00 C ATOM 308 OG1 THR A 20 14.986 4.558 -14.773 1.00 0.00 O ATOM 309 CG2 THR A 20 16.676 5.464 -13.450 1.00 0.00 C ATOM 0 H THR A 20 15.766 3.380 -16.684 1.00 0.00 H new ATOM 0 HA THR A 20 17.006 5.835 -16.080 1.00 0.00 H new ATOM 0 HB THR A 20 16.699 3.466 -14.275 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.614 3.663 -14.916 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.122 5.189 -12.552 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.745 5.452 -13.235 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.381 6.464 -13.766 1.00 0.00 H new ATOM 317 N ASN A 21 19.399 5.433 -15.386 1.00 0.00 N ATOM 318 CA ASN A 21 20.828 5.306 -15.158 1.00 0.00 C ATOM 319 C ASN A 21 21.155 6.075 -13.878 1.00 0.00 C ATOM 320 O ASN A 21 20.380 6.942 -13.471 1.00 0.00 O ATOM 321 CB ASN A 21 21.605 5.862 -16.366 1.00 0.00 C ATOM 322 CG ASN A 21 23.118 5.713 -16.217 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.608 4.780 -15.588 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.890 6.641 -16.756 1.00 0.00 N ATOM 0 H ASN A 21 19.051 6.376 -15.213 1.00 0.00 H new ATOM 0 HA ASN A 21 21.119 4.262 -15.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.281 5.345 -17.269 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.359 6.916 -16.496 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.903 6.586 -16.651 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.473 7.412 -17.277 1.00 0.00 H new ATOM 331 N GLU A 22 22.299 5.794 -13.253 1.00 0.00 N ATOM 332 CA GLU A 22 22.710 6.401 -11.983 1.00 0.00 C ATOM 333 C GLU A 22 22.722 7.921 -12.076 1.00 0.00 C ATOM 334 O GLU A 22 22.331 8.610 -11.135 1.00 0.00 O ATOM 335 CB GLU A 22 24.097 5.879 -11.565 1.00 0.00 C ATOM 336 CG GLU A 22 24.080 4.360 -11.357 1.00 0.00 C ATOM 337 CD GLU A 22 25.401 3.767 -10.838 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.500 4.250 -11.197 1.00 0.00 O ATOM 339 OE2 GLU A 22 25.340 2.766 -10.089 1.00 0.00 O ATOM 0 H GLU A 22 22.978 5.127 -13.620 1.00 0.00 H new ATOM 0 HA GLU A 22 21.982 6.117 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.830 6.135 -12.330 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.411 6.371 -10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 22 23.285 4.112 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.829 3.880 -12.303 1.00 0.00 H new ATOM 346 N MET A 23 23.120 8.437 -13.236 1.00 0.00 N ATOM 347 CA MET A 23 23.193 9.874 -13.487 1.00 0.00 C ATOM 348 C MET A 23 21.824 10.544 -13.357 1.00 0.00 C ATOM 349 O MET A 23 21.751 11.663 -12.850 1.00 0.00 O ATOM 350 CB MET A 23 23.796 10.145 -14.872 1.00 0.00 C ATOM 351 CG MET A 23 25.236 9.636 -15.037 1.00 0.00 C ATOM 352 SD MET A 23 26.484 10.373 -13.935 1.00 0.00 S ATOM 353 CE MET A 23 26.527 9.163 -12.580 1.00 0.00 C ATOM 0 H MET A 23 23.403 7.867 -14.033 1.00 0.00 H new ATOM 0 HA MET A 23 23.843 10.309 -12.727 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.167 9.676 -15.629 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.777 11.218 -15.062 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.237 8.557 -14.882 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.544 9.810 -16.068 1.00 0.00 H new ATOM 0 HE1 MET A 23 27.518 9.160 -12.126 1.00 0.00 H new ATOM 0 HE2 MET A 23 25.784 9.432 -11.829 1.00 0.00 H new ATOM 0 HE3 MET A 23 26.305 8.170 -12.971 1.00 0.00 H new ATOM 363 N MET A 24 20.743 9.868 -13.764 1.00 0.00 N ATOM 364 CA MET A 24 19.392 10.427 -13.698 1.00 0.00 C ATOM 365 C MET A 24 19.015 10.660 -12.243 1.00 0.00 C ATOM 366 O MET A 24 18.681 11.773 -11.837 1.00 0.00 O ATOM 367 CB MET A 24 18.352 9.510 -14.366 1.00 0.00 C ATOM 368 CG MET A 24 18.548 9.420 -15.876 1.00 0.00 C ATOM 369 SD MET A 24 18.197 10.950 -16.787 1.00 0.00 S ATOM 370 CE MET A 24 18.559 10.384 -18.472 1.00 0.00 C ATOM 0 H MET A 24 20.782 8.923 -14.146 1.00 0.00 H new ATOM 0 HA MET A 24 19.393 11.370 -14.244 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.419 8.512 -13.933 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.351 9.884 -14.153 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.577 9.123 -16.077 1.00 0.00 H new ATOM 0 HG3 MET A 24 17.907 8.629 -16.264 1.00 0.00 H new ATOM 0 HE1 MET A 24 18.396 11.202 -19.174 1.00 0.00 H new ATOM 0 HE2 MET A 24 19.597 10.057 -18.531 1.00 0.00 H new ATOM 0 HE3 MET A 24 17.902 9.552 -18.726 1.00 0.00 H new ATOM 380 N LEU A 25 19.103 9.603 -11.436 1.00 0.00 N ATOM 381 CA LEU A 25 18.677 9.683 -10.047 1.00 0.00 C ATOM 382 C LEU A 25 19.624 10.570 -9.249 1.00 0.00 C ATOM 383 O LEU A 25 19.168 11.263 -8.344 1.00 0.00 O ATOM 384 CB LEU A 25 18.628 8.304 -9.385 1.00 0.00 C ATOM 385 CG LEU A 25 17.649 7.300 -10.000 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.566 6.087 -9.074 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.259 7.913 -10.207 1.00 0.00 C ATOM 0 H LEU A 25 19.462 8.692 -11.720 1.00 0.00 H new ATOM 0 HA LEU A 25 17.673 10.108 -10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.628 7.872 -9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.370 8.436 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 25 18.012 7.005 -10.984 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.873 5.357 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.553 5.636 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.212 6.402 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.594 7.168 -10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.858 8.237 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.335 8.770 -10.876 1.00 0.00 H new ATOM 399 N SER A 26 20.917 10.583 -9.581 1.00 0.00 N ATOM 400 CA SER A 26 21.871 11.449 -8.907 1.00 0.00 C ATOM 401 C SER A 26 21.493 12.902 -9.165 1.00 0.00 C ATOM 402 O SER A 26 21.401 13.686 -8.224 1.00 0.00 O ATOM 403 CB SER A 26 23.303 11.149 -9.366 1.00 0.00 C ATOM 404 OG SER A 26 23.626 9.791 -9.135 1.00 0.00 O ATOM 0 H SER A 26 21.322 10.001 -10.314 1.00 0.00 H new ATOM 0 HA SER A 26 21.837 11.262 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.406 11.377 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.004 11.791 -8.832 1.00 0.00 H new ATOM 0 HG SER A 26 23.395 9.261 -9.926 1.00 0.00 H new ATOM 410 N MET A 27 21.187 13.250 -10.418 1.00 0.00 N ATOM 411 CA MET A 27 20.733 14.585 -10.777 1.00 0.00 C ATOM 412 C MET A 27 19.458 14.945 -10.006 1.00 0.00 C ATOM 413 O MET A 27 19.341 16.074 -9.525 1.00 0.00 O ATOM 414 CB MET A 27 20.532 14.653 -12.299 1.00 0.00 C ATOM 415 CG MET A 27 20.204 16.069 -12.774 1.00 0.00 C ATOM 416 SD MET A 27 19.883 16.235 -14.554 1.00 0.00 S ATOM 417 CE MET A 27 21.507 15.803 -15.242 1.00 0.00 C ATOM 0 H MET A 27 21.249 12.609 -11.209 1.00 0.00 H new ATOM 0 HA MET A 27 21.485 15.323 -10.499 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.435 14.304 -12.799 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.726 13.978 -12.588 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.329 16.424 -12.229 1.00 0.00 H new ATOM 0 HG3 MET A 27 21.033 16.725 -12.508 1.00 0.00 H new ATOM 0 HE1 MET A 27 21.522 16.029 -16.308 1.00 0.00 H new ATOM 0 HE2 MET A 27 22.281 16.381 -14.737 1.00 0.00 H new ATOM 0 HE3 MET A 27 21.694 14.739 -15.094 1.00 0.00 H new ATOM 427 N LEU A 28 18.515 14.003 -9.862 1.00 0.00 N ATOM 428 CA LEU A 28 17.252 14.272 -9.180 1.00 0.00 C ATOM 429 C LEU A 28 17.445 14.462 -7.680 1.00 0.00 C ATOM 430 O LEU A 28 16.983 15.465 -7.141 1.00 0.00 O ATOM 431 CB LEU A 28 16.209 13.175 -9.464 1.00 0.00 C ATOM 432 CG LEU A 28 15.694 13.164 -10.918 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.729 11.991 -11.120 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.989 14.468 -11.313 1.00 0.00 C ATOM 0 H LEU A 28 18.608 13.049 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 28 16.870 15.210 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.647 12.203 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.363 13.309 -8.790 1.00 0.00 H new ATOM 0 HG LEU A 28 16.569 13.058 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.369 11.989 -12.149 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.247 11.054 -10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.883 12.094 -10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.649 14.399 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.132 14.631 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.684 15.302 -11.214 1.00 0.00 H new ATOM 446 N PHE A 29 18.104 13.531 -6.993 1.00 0.00 N ATOM 447 CA PHE A 29 18.175 13.568 -5.533 1.00 0.00 C ATOM 448 C PHE A 29 19.270 14.503 -5.001 1.00 0.00 C ATOM 449 O PHE A 29 19.145 14.995 -3.882 1.00 0.00 O ATOM 450 CB PHE A 29 18.370 12.158 -4.968 1.00 0.00 C ATOM 451 CG PHE A 29 17.117 11.306 -4.929 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.637 10.681 -6.093 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.429 11.129 -3.713 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.476 9.897 -6.042 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.266 10.344 -3.660 1.00 0.00 C ATOM 456 CZ PHE A 29 14.787 9.731 -4.828 1.00 0.00 C ATOM 0 H PHE A 29 18.594 12.745 -7.421 1.00 0.00 H new ATOM 0 HA PHE A 29 17.222 13.973 -5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.123 11.644 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.768 12.240 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.163 10.805 -7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.799 11.601 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.110 9.419 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.742 10.213 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.889 9.132 -4.794 1.00 0.00 H new ATOM 466 N ASN A 30 20.335 14.792 -5.757 1.00 0.00 N ATOM 467 CA ASN A 30 21.451 15.603 -5.250 1.00 0.00 C ATOM 468 C ASN A 30 21.049 17.051 -4.930 1.00 0.00 C ATOM 469 O ASN A 30 21.794 17.761 -4.255 1.00 0.00 O ATOM 470 CB ASN A 30 22.627 15.572 -6.226 1.00 0.00 C ATOM 471 CG ASN A 30 23.834 16.370 -5.738 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.402 16.087 -4.687 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.271 17.368 -6.492 1.00 0.00 N ATOM 0 H ASN A 30 20.449 14.478 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 30 21.757 15.152 -4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 30 22.926 14.537 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.303 15.968 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.086 17.908 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.793 17.596 -7.364 1.00 0.00 H new ATOM 480 N GLN A 31 19.872 17.503 -5.384 1.00 0.00 N ATOM 481 CA GLN A 31 19.332 18.804 -5.005 1.00 0.00 C ATOM 482 C GLN A 31 19.189 18.939 -3.480 1.00 0.00 C ATOM 483 O GLN A 31 19.270 20.052 -2.957 1.00 0.00 O ATOM 484 CB GLN A 31 17.996 19.068 -5.727 1.00 0.00 C ATOM 485 CG GLN A 31 16.827 18.216 -5.208 1.00 0.00 C ATOM 486 CD GLN A 31 15.539 18.482 -5.990 1.00 0.00 C ATOM 487 OE1 GLN A 31 14.876 19.500 -5.803 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.160 17.588 -6.886 1.00 0.00 N ATOM 0 H GLN A 31 19.275 16.976 -6.021 1.00 0.00 H new ATOM 0 HA GLN A 31 20.043 19.567 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.739 20.122 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.126 18.877 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.086 17.160 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.662 18.430 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.717 16.746 -7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.310 17.739 -7.430 1.00 0.00 H new ATOM 497 N PHE A 32 18.965 17.828 -2.765 1.00 0.00 N ATOM 498 CA PHE A 32 18.804 17.836 -1.316 1.00 0.00 C ATOM 499 C PHE A 32 20.203 17.771 -0.685 1.00 0.00 C ATOM 500 O PHE A 32 21.000 16.925 -1.105 1.00 0.00 O ATOM 501 CB PHE A 32 17.927 16.650 -0.878 1.00 0.00 C ATOM 502 CG PHE A 32 16.627 16.527 -1.661 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.654 17.545 -1.610 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.424 15.423 -2.508 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.513 17.471 -2.432 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.288 15.347 -3.326 1.00 0.00 C ATOM 507 CZ PHE A 32 14.342 16.381 -3.304 1.00 0.00 C ATOM 0 H PHE A 32 18.891 16.900 -3.182 1.00 0.00 H new ATOM 0 HA PHE A 32 18.303 18.745 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.497 15.728 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.694 16.754 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.783 18.382 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.151 14.625 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.768 18.252 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.142 14.494 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.482 16.341 -3.956 1.00 0.00 H new ATOM 517 N PRO A 33 20.522 18.603 0.327 1.00 0.00 N ATOM 518 CA PRO A 33 21.864 18.740 0.906 1.00 0.00 C ATOM 519 C PRO A 33 22.262 17.560 1.824 1.00 0.00 C ATOM 520 O PRO A 33 22.927 17.741 2.847 1.00 0.00 O ATOM 521 CB PRO A 33 21.847 20.106 1.610 1.00 0.00 C ATOM 522 CG PRO A 33 20.396 20.254 2.058 1.00 0.00 C ATOM 523 CD PRO A 33 19.626 19.593 0.918 1.00 0.00 C ATOM 0 HA PRO A 33 22.641 18.702 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.533 20.131 2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.143 20.909 0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.214 19.758 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.115 21.300 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.716 19.120 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.322 20.332 0.176 1.00 0.00 H new ATOM 531 N GLY A 34 21.861 16.340 1.463 1.00 0.00 N ATOM 532 CA GLY A 34 22.174 15.113 2.177 1.00 0.00 C ATOM 533 C GLY A 34 22.405 13.919 1.260 1.00 0.00 C ATOM 534 O GLY A 34 22.814 12.879 1.769 1.00 0.00 O ATOM 0 H GLY A 34 21.289 16.179 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.065 15.272 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.358 14.882 2.862 1.00 0.00 H new ATOM 538 N PHE A 35 22.165 14.023 -0.051 1.00 0.00 N ATOM 539 CA PHE A 35 22.440 12.962 -0.998 1.00 0.00 C ATOM 540 C PHE A 35 23.912 12.556 -0.931 1.00 0.00 C ATOM 541 O PHE A 35 24.789 13.393 -0.692 1.00 0.00 O ATOM 542 CB PHE A 35 22.101 13.504 -2.385 1.00 0.00 C ATOM 543 CG PHE A 35 22.517 12.625 -3.547 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.640 11.642 -4.035 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.779 12.795 -4.150 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.016 10.842 -5.122 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.161 11.980 -5.229 1.00 0.00 C ATOM 548 CZ PHE A 35 23.282 10.999 -5.707 1.00 0.00 C ATOM 0 H PHE A 35 21.770 14.860 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 35 21.846 12.077 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.024 13.664 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.575 14.479 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.674 11.503 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.454 13.553 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.330 10.103 -5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.130 12.109 -5.689 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.579 10.362 -6.527 1.00 0.00 H new ATOM 558 N LYS A 36 24.173 11.285 -1.229 1.00 0.00 N ATOM 559 CA LYS A 36 25.525 10.774 -1.427 1.00 0.00 C ATOM 560 C LYS A 36 25.623 9.997 -2.733 1.00 0.00 C ATOM 561 O LYS A 36 26.460 10.361 -3.560 1.00 0.00 O ATOM 562 CB LYS A 36 25.984 9.891 -0.256 1.00 0.00 C ATOM 563 CG LYS A 36 26.019 10.607 1.106 1.00 0.00 C ATOM 564 CD LYS A 36 26.769 9.805 2.186 1.00 0.00 C ATOM 565 CE LYS A 36 26.303 8.342 2.250 1.00 0.00 C ATOM 566 NZ LYS A 36 27.088 7.500 3.184 1.00 0.00 N ATOM 0 H LYS A 36 23.447 10.577 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 36 26.188 11.638 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.319 9.031 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.980 9.506 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.495 11.580 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.998 10.791 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.839 9.835 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.617 10.276 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 36 25.255 8.318 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 36 26.360 7.909 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.895 6.496 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.102 7.688 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.819 7.724 4.163 1.00 0.00 H new ATOM 580 N GLU A 37 24.816 8.948 -2.934 1.00 0.00 N ATOM 581 CA GLU A 37 25.009 8.026 -4.061 1.00 0.00 C ATOM 582 C GLU A 37 23.697 7.335 -4.450 1.00 0.00 C ATOM 583 O GLU A 37 22.708 7.410 -3.719 1.00 0.00 O ATOM 584 CB GLU A 37 26.030 6.926 -3.674 1.00 0.00 C ATOM 585 CG GLU A 37 27.472 7.406 -3.456 1.00 0.00 C ATOM 586 CD GLU A 37 28.444 6.225 -3.278 1.00 0.00 C ATOM 587 OE1 GLU A 37 28.643 5.758 -2.134 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.042 5.766 -4.278 1.00 0.00 O ATOM 0 H GLU A 37 24.025 8.717 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 37 25.372 8.614 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 37 25.686 6.441 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.033 6.167 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.787 8.011 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.513 8.047 -2.575 1.00 0.00 H new ATOM 595 N VAL A 38 23.709 6.611 -5.576 1.00 0.00 N ATOM 596 CA VAL A 38 22.651 5.696 -5.996 1.00 0.00 C ATOM 597 C VAL A 38 23.309 4.402 -6.491 1.00 0.00 C ATOM 598 O VAL A 38 24.514 4.372 -6.760 1.00 0.00 O ATOM 599 CB VAL A 38 21.694 6.316 -7.047 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.266 7.739 -6.683 1.00 0.00 C ATOM 601 CG2 VAL A 38 22.255 6.338 -8.473 1.00 0.00 C ATOM 0 H VAL A 38 24.483 6.650 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 38 22.009 5.477 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 38 20.832 5.649 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.597 8.126 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.749 7.729 -5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.147 8.377 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.524 6.787 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.174 6.924 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.467 5.319 -8.796 1.00 0.00 H new ATOM 611 N ARG A 39 22.514 3.343 -6.652 1.00 0.00 N ATOM 612 CA ARG A 39 22.916 2.088 -7.269 1.00 0.00 C ATOM 613 C ARG A 39 21.739 1.644 -8.123 1.00 0.00 C ATOM 614 O ARG A 39 20.687 1.293 -7.589 1.00 0.00 O ATOM 615 CB ARG A 39 23.294 1.068 -6.181 1.00 0.00 C ATOM 616 CG ARG A 39 23.759 -0.278 -6.763 1.00 0.00 C ATOM 617 CD ARG A 39 24.109 -1.289 -5.661 1.00 0.00 C ATOM 618 NE ARG A 39 25.282 -0.873 -4.869 1.00 0.00 N ATOM 619 CZ ARG A 39 25.627 -1.359 -3.668 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.904 -2.313 -3.088 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.705 -0.883 -3.051 1.00 0.00 N ATOM 0 H ARG A 39 21.541 3.340 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 39 23.802 2.190 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 39 24.087 1.484 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.435 0.901 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 39 22.974 -0.690 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.630 -0.117 -7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.252 -1.412 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 39 24.305 -2.261 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 39 25.883 -0.153 -5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.077 -2.683 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 39 25.176 -2.675 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.264 -0.152 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.973 -1.249 -2.137 1.00 0.00 H new ATOM 635 N LEU A 40 21.884 1.733 -9.443 1.00 0.00 N ATOM 636 CA LEU A 40 20.913 1.180 -10.378 1.00 0.00 C ATOM 637 C LEU A 40 21.080 -0.337 -10.424 1.00 0.00 C ATOM 638 O LEU A 40 22.072 -0.888 -9.944 1.00 0.00 O ATOM 639 CB LEU A 40 21.107 1.804 -11.781 1.00 0.00 C ATOM 640 CG LEU A 40 20.073 2.883 -12.153 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.685 2.279 -12.379 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.006 4.009 -11.119 1.00 0.00 C ATOM 0 H LEU A 40 22.678 2.190 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 40 19.902 1.417 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.104 2.241 -11.835 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.067 1.009 -12.526 1.00 0.00 H new ATOM 0 HG LEU A 40 20.413 3.321 -13.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.982 3.070 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.732 1.553 -13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.351 1.783 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.262 4.743 -11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.727 3.596 -10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.981 4.490 -11.042 1.00 0.00 H new ATOM 654 N VAL A 41 20.131 -0.996 -11.079 1.00 0.00 N ATOM 655 CA VAL A 41 20.206 -2.408 -11.422 1.00 0.00 C ATOM 656 C VAL A 41 20.307 -2.450 -12.945 1.00 0.00 C ATOM 657 O VAL A 41 19.268 -2.437 -13.605 1.00 0.00 O ATOM 658 CB VAL A 41 19.022 -3.183 -10.802 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.156 -4.694 -11.046 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.942 -2.937 -9.281 1.00 0.00 C ATOM 0 H VAL A 41 19.268 -0.551 -11.393 1.00 0.00 H new ATOM 0 HA VAL A 41 21.075 -2.918 -11.006 1.00 0.00 H new ATOM 0 HB VAL A 41 18.115 -2.818 -11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.308 -5.212 -10.598 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.175 -4.889 -12.118 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.081 -5.055 -10.595 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.101 -3.493 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.866 -3.272 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.803 -1.873 -9.091 1.00 0.00 H new ATOM 722 N HIS A 45 16.715 -1.743 -14.614 1.00 0.00 N ATOM 723 CA HIS A 45 16.547 -0.290 -14.538 1.00 0.00 C ATOM 724 C HIS A 45 15.279 0.204 -13.821 1.00 0.00 C ATOM 725 O HIS A 45 15.296 1.322 -13.311 1.00 0.00 O ATOM 726 CB HIS A 45 16.640 0.373 -15.923 1.00 0.00 C ATOM 727 CG HIS A 45 17.823 -0.025 -16.769 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.784 -0.320 -18.112 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.131 -0.110 -16.376 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.035 -0.592 -18.517 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.898 -0.481 -17.489 1.00 0.00 N ATOM 0 HA HIS A 45 17.384 0.019 -13.912 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.729 0.143 -16.476 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.664 1.454 -15.785 1.00 0.00 H new ATOM 0 HD1 HIS A 45 16.950 -0.330 -18.698 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.507 0.076 -15.381 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.311 -0.862 -19.526 1.00 0.00 H new ATOM 739 N ASP A 46 14.200 -0.581 -13.744 1.00 0.00 N ATOM 740 CA ASP A 46 12.911 -0.157 -13.191 1.00 0.00 C ATOM 741 C ASP A 46 12.919 -0.098 -11.664 1.00 0.00 C ATOM 742 O ASP A 46 11.952 0.395 -11.078 1.00 0.00 O ATOM 743 CB ASP A 46 11.760 -1.042 -13.696 1.00 0.00 C ATOM 744 CG ASP A 46 11.633 -2.356 -12.917 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.588 -3.158 -12.936 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.577 -2.635 -12.311 1.00 0.00 O ATOM 0 H ASP A 46 14.199 -1.547 -14.071 1.00 0.00 H new ATOM 0 HA ASP A 46 12.744 0.858 -13.551 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.824 -0.489 -13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.916 -1.265 -14.752 1.00 0.00 H new ATOM 751 N ILE A 47 14.007 -0.547 -11.026 1.00 0.00 N ATOM 752 CA ILE A 47 14.261 -0.402 -9.603 1.00 0.00 C ATOM 753 C ILE A 47 15.700 0.086 -9.389 1.00 0.00 C ATOM 754 O ILE A 47 16.565 -0.111 -10.250 1.00 0.00 O ATOM 755 CB ILE A 47 13.936 -1.699 -8.818 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.062 -2.755 -8.756 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.625 -2.349 -9.291 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.446 -3.432 -10.071 1.00 0.00 C ATOM 0 H ILE A 47 14.757 -1.038 -11.512 1.00 0.00 H new ATOM 0 HA ILE A 47 13.587 0.352 -9.196 1.00 0.00 H new ATOM 0 HB ILE A 47 13.822 -1.342 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.953 -2.278 -8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.763 -3.530 -8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.438 -3.254 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.800 -1.651 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.706 -2.604 -10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.246 -4.150 -9.891 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.579 -3.950 -10.480 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.787 -2.679 -10.782 1.00 0.00 H new ATOM 770 N ALA A 48 15.956 0.711 -8.240 1.00 0.00 N ATOM 771 CA ALA A 48 17.249 1.262 -7.850 1.00 0.00 C ATOM 772 C ALA A 48 17.323 1.371 -6.329 1.00 0.00 C ATOM 773 O ALA A 48 16.327 1.173 -5.633 1.00 0.00 O ATOM 774 CB ALA A 48 17.425 2.658 -8.466 1.00 0.00 C ATOM 0 H ALA A 48 15.238 0.852 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 48 18.040 0.603 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.392 3.066 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.377 2.585 -9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.631 3.315 -8.111 1.00 0.00 H new ATOM 780 N PHE A 49 18.489 1.769 -5.828 1.00 0.00 N ATOM 781 CA PHE A 49 18.717 2.137 -4.442 1.00 0.00 C ATOM 782 C PHE A 49 19.360 3.521 -4.428 1.00 0.00 C ATOM 783 O PHE A 49 20.045 3.895 -5.383 1.00 0.00 O ATOM 784 CB PHE A 49 19.619 1.106 -3.745 1.00 0.00 C ATOM 785 CG PHE A 49 19.026 -0.284 -3.600 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.961 -1.150 -4.711 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.549 -0.717 -2.346 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.392 -2.430 -4.586 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.011 -2.010 -2.212 1.00 0.00 C ATOM 790 CZ PHE A 49 17.930 -2.865 -3.329 1.00 0.00 C ATOM 0 H PHE A 49 19.329 1.845 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 49 17.773 2.156 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.552 1.028 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.871 1.481 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.351 -0.828 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.596 -0.058 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.310 -3.075 -5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.659 -2.349 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.513 -3.855 -3.221 1.00 0.00 H new ATOM 800 N VAL A 50 19.162 4.276 -3.351 1.00 0.00 N ATOM 801 CA VAL A 50 19.663 5.634 -3.162 1.00 0.00 C ATOM 802 C VAL A 50 20.199 5.702 -1.727 1.00 0.00 C ATOM 803 O VAL A 50 19.643 5.052 -0.841 1.00 0.00 O ATOM 804 CB VAL A 50 18.520 6.636 -3.448 1.00 0.00 C ATOM 805 CG1 VAL A 50 18.928 8.093 -3.200 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.995 6.507 -4.887 1.00 0.00 C ATOM 0 H VAL A 50 18.624 3.943 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 50 20.470 5.896 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 50 17.729 6.375 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.085 8.749 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.224 8.216 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.766 8.352 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.193 7.228 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.805 6.703 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.613 5.498 -5.046 1.00 0.00 H new ATOM 816 N GLU A 51 21.269 6.460 -1.483 1.00 0.00 N ATOM 817 CA GLU A 51 21.944 6.540 -0.195 1.00 0.00 C ATOM 818 C GLU A 51 22.275 8.003 0.115 1.00 0.00 C ATOM 819 O GLU A 51 22.703 8.767 -0.761 1.00 0.00 O ATOM 820 CB GLU A 51 23.197 5.645 -0.203 1.00 0.00 C ATOM 821 CG GLU A 51 23.983 5.782 1.112 1.00 0.00 C ATOM 822 CD GLU A 51 25.177 4.822 1.276 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.232 3.750 0.633 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.071 5.142 2.095 1.00 0.00 O ATOM 0 H GLU A 51 21.698 7.049 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 51 21.291 6.172 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.904 4.605 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.837 5.917 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.349 6.806 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.296 5.624 1.943 1.00 0.00 H new ATOM 831 N PHE A 52 22.072 8.355 1.387 1.00 0.00 N ATOM 832 CA PHE A 52 22.109 9.693 1.954 1.00 0.00 C ATOM 833 C PHE A 52 22.990 9.714 3.206 1.00 0.00 C ATOM 834 O PHE A 52 23.357 8.676 3.763 1.00 0.00 O ATOM 835 CB PHE A 52 20.674 10.120 2.317 1.00 0.00 C ATOM 836 CG PHE A 52 19.963 10.923 1.245 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.680 10.355 -0.010 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.591 12.256 1.503 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.069 11.128 -1.011 1.00 0.00 C ATOM 840 CE2 PHE A 52 18.965 13.024 0.509 1.00 0.00 C ATOM 841 CZ PHE A 52 18.720 12.464 -0.755 1.00 0.00 C ATOM 0 H PHE A 52 21.862 7.653 2.097 1.00 0.00 H new ATOM 0 HA PHE A 52 22.529 10.386 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.087 9.227 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.705 10.710 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.933 9.323 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.789 12.690 2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.867 10.694 -1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.673 14.043 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.263 13.061 -1.531 1.00 0.00 H new ATOM 851 N THR A 53 23.306 10.923 3.656 1.00 0.00 N ATOM 852 CA THR A 53 24.046 11.220 4.871 1.00 0.00 C ATOM 853 C THR A 53 23.208 10.891 6.106 1.00 0.00 C ATOM 854 O THR A 53 23.706 10.260 7.039 1.00 0.00 O ATOM 855 CB THR A 53 24.398 12.719 4.847 1.00 0.00 C ATOM 856 OG1 THR A 53 25.240 13.003 3.745 1.00 0.00 O ATOM 857 CG2 THR A 53 25.067 13.188 6.142 1.00 0.00 C ATOM 0 H THR A 53 23.036 11.768 3.152 1.00 0.00 H new ATOM 0 HA THR A 53 24.951 10.615 4.919 1.00 0.00 H new ATOM 0 HB THR A 53 23.459 13.264 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.707 13.026 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.293 14.252 6.070 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.394 13.016 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.991 12.630 6.297 1.00 0.00 H new ATOM 865 N THR A 54 21.942 11.308 6.107 1.00 0.00 N ATOM 866 CA THR A 54 21.094 11.272 7.281 1.00 0.00 C ATOM 867 C THR A 54 19.687 10.859 6.881 1.00 0.00 C ATOM 868 O THR A 54 19.186 11.214 5.811 1.00 0.00 O ATOM 869 CB THR A 54 21.115 12.647 7.989 1.00 0.00 C ATOM 870 OG1 THR A 54 21.498 13.713 7.128 1.00 0.00 O ATOM 871 CG2 THR A 54 22.097 12.629 9.157 1.00 0.00 C ATOM 0 H THR A 54 21.479 11.683 5.279 1.00 0.00 H new ATOM 0 HA THR A 54 21.470 10.534 7.989 1.00 0.00 H new ATOM 0 HB THR A 54 20.093 12.819 8.327 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.492 14.556 7.628 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.100 13.604 9.645 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.796 11.865 9.874 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.098 12.405 8.788 1.00 0.00 H new ATOM 879 N GLU A 55 19.060 10.116 7.786 1.00 0.00 N ATOM 880 CA GLU A 55 17.775 9.446 7.601 1.00 0.00 C ATOM 881 C GLU A 55 16.671 10.472 7.362 1.00 0.00 C ATOM 882 O GLU A 55 15.716 10.245 6.622 1.00 0.00 O ATOM 883 CB GLU A 55 17.399 8.621 8.848 1.00 0.00 C ATOM 884 CG GLU A 55 18.464 7.659 9.397 1.00 0.00 C ATOM 885 CD GLU A 55 19.372 8.298 10.469 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.201 9.172 10.129 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.268 7.919 11.658 1.00 0.00 O ATOM 0 H GLU A 55 19.452 9.956 8.714 1.00 0.00 H new ATOM 0 HA GLU A 55 17.872 8.786 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.127 9.315 9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.507 8.040 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.970 6.786 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.082 7.304 8.572 1.00 0.00 H new ATOM 894 N LEU A 56 16.799 11.621 8.023 1.00 0.00 N ATOM 895 CA LEU A 56 15.826 12.692 7.940 1.00 0.00 C ATOM 896 C LEU A 56 15.913 13.386 6.582 1.00 0.00 C ATOM 897 O LEU A 56 14.892 13.846 6.069 1.00 0.00 O ATOM 898 CB LEU A 56 16.072 13.682 9.085 1.00 0.00 C ATOM 899 CG LEU A 56 15.976 13.076 10.504 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.962 14.200 11.544 1.00 0.00 C ATOM 901 CD2 LEU A 56 14.763 12.157 10.715 1.00 0.00 C ATOM 0 H LEU A 56 17.589 11.830 8.634 1.00 0.00 H new ATOM 0 HA LEU A 56 14.820 12.283 8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.062 14.121 8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.351 14.495 9.004 1.00 0.00 H new ATOM 0 HG LEU A 56 16.857 12.445 10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.894 13.770 12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.879 14.784 11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.103 14.847 11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.770 11.774 11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.846 12.721 10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.812 11.324 10.014 1.00 0.00 H new ATOM 913 N GLN A 57 17.105 13.445 5.977 1.00 0.00 N ATOM 914 CA GLN A 57 17.268 14.068 4.671 1.00 0.00 C ATOM 915 C GLN A 57 16.789 13.126 3.565 1.00 0.00 C ATOM 916 O GLN A 57 16.115 13.592 2.646 1.00 0.00 O ATOM 917 CB GLN A 57 18.716 14.528 4.460 1.00 0.00 C ATOM 918 CG GLN A 57 19.116 15.581 5.505 1.00 0.00 C ATOM 919 CD GLN A 57 20.288 16.432 5.021 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.091 17.501 4.453 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.518 15.981 5.203 1.00 0.00 N ATOM 0 H GLN A 57 17.965 13.068 6.375 1.00 0.00 H new ATOM 0 HA GLN A 57 16.645 14.961 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.387 13.671 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.827 14.944 3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.263 16.224 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.385 15.086 6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.670 15.091 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.315 16.524 4.870 1.00 0.00 H new ATOM 930 N SER A 58 17.046 11.817 3.662 1.00 0.00 N ATOM 931 CA SER A 58 16.435 10.865 2.740 1.00 0.00 C ATOM 932 C SER A 58 14.916 10.851 2.906 1.00 0.00 C ATOM 933 O SER A 58 14.201 10.771 1.909 1.00 0.00 O ATOM 934 CB SER A 58 17.003 9.463 2.936 1.00 0.00 C ATOM 935 OG SER A 58 17.184 9.165 4.303 1.00 0.00 O ATOM 0 H SER A 58 17.663 11.401 4.359 1.00 0.00 H new ATOM 0 HA SER A 58 16.672 11.187 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.330 8.731 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.957 9.380 2.415 1.00 0.00 H new ATOM 0 HG SER A 58 16.964 8.224 4.465 1.00 0.00 H new ATOM 941 N ASN A 59 14.401 10.973 4.135 1.00 0.00 N ATOM 942 CA ASN A 59 12.966 11.100 4.373 1.00 0.00 C ATOM 943 C ASN A 59 12.401 12.326 3.663 1.00 0.00 C ATOM 944 O ASN A 59 11.412 12.213 2.945 1.00 0.00 O ATOM 945 CB ASN A 59 12.653 11.146 5.871 1.00 0.00 C ATOM 946 CG ASN A 59 11.175 11.432 6.119 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.308 10.645 5.757 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.858 12.556 6.741 1.00 0.00 N ATOM 0 H ASN A 59 14.966 10.986 4.984 1.00 0.00 H new ATOM 0 HA ASN A 59 12.483 10.215 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.924 10.196 6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.260 11.916 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.880 12.778 6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.592 13.200 7.036 1.00 0.00 H new ATOM 955 N ALA A 60 13.043 13.485 3.800 1.00 0.00 N ATOM 956 CA ALA A 60 12.610 14.684 3.089 1.00 0.00 C ATOM 957 C ALA A 60 12.620 14.466 1.571 1.00 0.00 C ATOM 958 O ALA A 60 11.659 14.826 0.891 1.00 0.00 O ATOM 959 CB ALA A 60 13.472 15.882 3.494 1.00 0.00 C ATOM 0 H ALA A 60 13.861 13.618 4.394 1.00 0.00 H new ATOM 0 HA ALA A 60 11.580 14.899 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.138 16.769 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.379 16.051 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.514 15.680 3.248 1.00 0.00 H new ATOM 965 N ALA A 61 13.669 13.830 1.046 1.00 0.00 N ATOM 966 CA ALA A 61 13.775 13.513 -0.373 1.00 0.00 C ATOM 967 C ALA A 61 12.666 12.554 -0.827 1.00 0.00 C ATOM 968 O ALA A 61 12.114 12.729 -1.914 1.00 0.00 O ATOM 969 CB ALA A 61 15.153 12.924 -0.675 1.00 0.00 C ATOM 0 H ALA A 61 14.469 13.521 1.598 1.00 0.00 H new ATOM 0 HA ALA A 61 13.651 14.439 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.224 12.690 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.924 13.648 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.295 12.014 -0.093 1.00 0.00 H new ATOM 975 N LYS A 62 12.307 11.561 -0.003 1.00 0.00 N ATOM 976 CA LYS A 62 11.185 10.663 -0.261 1.00 0.00 C ATOM 977 C LYS A 62 9.915 11.488 -0.404 1.00 0.00 C ATOM 978 O LYS A 62 9.241 11.374 -1.424 1.00 0.00 O ATOM 979 CB LYS A 62 11.073 9.605 0.854 1.00 0.00 C ATOM 980 CG LYS A 62 9.775 8.783 0.791 1.00 0.00 C ATOM 981 CD LYS A 62 9.624 7.899 2.033 1.00 0.00 C ATOM 982 CE LYS A 62 8.270 7.178 2.062 1.00 0.00 C ATOM 983 NZ LYS A 62 7.119 8.096 2.243 1.00 0.00 N ATOM 0 H LYS A 62 12.796 11.360 0.870 1.00 0.00 H new ATOM 0 HA LYS A 62 11.346 10.119 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.925 8.929 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.133 10.102 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.919 9.453 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.777 8.161 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.428 7.163 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.728 8.511 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.141 6.624 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.273 6.447 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.382 7.622 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.434 8.954 2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.733 8.357 1.313 1.00 0.00 H new ATOM 997 N GLU A 63 9.587 12.322 0.584 1.00 0.00 N ATOM 998 CA GLU A 63 8.345 13.088 0.549 1.00 0.00 C ATOM 999 C GLU A 63 8.319 14.025 -0.668 1.00 0.00 C ATOM 1000 O GLU A 63 7.259 14.257 -1.250 1.00 0.00 O ATOM 1001 CB GLU A 63 8.151 13.879 1.855 1.00 0.00 C ATOM 1002 CG GLU A 63 8.055 13.017 3.126 1.00 0.00 C ATOM 1003 CD GLU A 63 6.971 11.927 3.050 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.765 12.266 3.061 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.317 10.725 2.998 1.00 0.00 O ATOM 0 H GLU A 63 10.161 12.482 1.412 1.00 0.00 H new ATOM 0 HA GLU A 63 7.516 12.386 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.982 14.575 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.243 14.477 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.021 12.545 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.849 13.664 3.979 1.00 0.00 H new ATOM 1012 N ALA A 64 9.485 14.536 -1.071 1.00 0.00 N ATOM 1013 CA ALA A 64 9.632 15.442 -2.198 1.00 0.00 C ATOM 1014 C ALA A 64 9.459 14.753 -3.558 1.00 0.00 C ATOM 1015 O ALA A 64 8.881 15.365 -4.460 1.00 0.00 O ATOM 1016 CB ALA A 64 11.020 16.081 -2.135 1.00 0.00 C ATOM 0 H ALA A 64 10.369 14.323 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 64 8.841 16.188 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.145 16.764 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.125 16.632 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.781 15.303 -2.184 1.00 0.00 H new ATOM 1022 N LEU A 65 9.949 13.515 -3.731 1.00 0.00 N ATOM 1023 CA LEU A 65 10.031 12.870 -5.048 1.00 0.00 C ATOM 1024 C LEU A 65 9.142 11.635 -5.200 1.00 0.00 C ATOM 1025 O LEU A 65 9.068 11.095 -6.305 1.00 0.00 O ATOM 1026 CB LEU A 65 11.494 12.535 -5.407 1.00 0.00 C ATOM 1027 CG LEU A 65 12.427 13.738 -5.641 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.816 13.229 -6.045 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.928 14.690 -6.737 1.00 0.00 C ATOM 0 H LEU A 65 10.297 12.937 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 65 9.642 13.603 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.913 11.927 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.494 11.920 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 65 12.455 14.297 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.480 14.077 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.220 12.603 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.737 12.644 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.631 15.515 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.848 14.149 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.950 15.083 -6.460 1.00 0.00 H new ATOM 1041 N GLN A 66 8.433 11.181 -4.162 1.00 0.00 N ATOM 1042 CA GLN A 66 7.405 10.158 -4.359 1.00 0.00 C ATOM 1043 C GLN A 66 6.385 10.679 -5.380 1.00 0.00 C ATOM 1044 O GLN A 66 5.845 11.778 -5.232 1.00 0.00 O ATOM 1045 CB GLN A 66 6.713 9.758 -3.044 1.00 0.00 C ATOM 1046 CG GLN A 66 7.458 8.639 -2.298 1.00 0.00 C ATOM 1047 CD GLN A 66 6.660 8.119 -1.101 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.111 8.882 -0.312 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.592 6.813 -0.895 1.00 0.00 N ATOM 0 H GLN A 66 8.548 11.497 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 66 7.884 9.254 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.637 10.632 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.695 9.431 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.659 7.817 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.423 9.012 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.045 6.170 -1.545 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.087 6.450 -0.087 1.00 0.00 H new ATOM 1058 N GLY A 67 6.135 9.882 -6.420 1.00 0.00 N ATOM 1059 CA GLY A 67 5.212 10.192 -7.502 1.00 0.00 C ATOM 1060 C GLY A 67 5.835 11.034 -8.623 1.00 0.00 C ATOM 1061 O GLY A 67 5.130 11.363 -9.579 1.00 0.00 O ATOM 0 H GLY A 67 6.587 8.974 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.837 9.260 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.354 10.725 -7.094 1.00 0.00 H new ATOM 1065 N PHE A 68 7.118 11.405 -8.537 1.00 0.00 N ATOM 1066 CA PHE A 68 7.770 12.262 -9.519 1.00 0.00 C ATOM 1067 C PHE A 68 7.916 11.506 -10.838 1.00 0.00 C ATOM 1068 O PHE A 68 8.547 10.449 -10.872 1.00 0.00 O ATOM 1069 CB PHE A 68 9.139 12.704 -8.980 1.00 0.00 C ATOM 1070 CG PHE A 68 9.919 13.612 -9.910 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.725 15.006 -9.864 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.844 13.063 -10.818 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.454 15.847 -10.722 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.565 13.905 -11.681 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.372 15.297 -11.634 1.00 0.00 C ATOM 0 H PHE A 68 7.732 11.114 -7.777 1.00 0.00 H new ATOM 0 HA PHE A 68 7.167 13.152 -9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.992 13.218 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.737 11.817 -8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.015 15.429 -9.169 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.999 11.995 -10.851 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.309 16.916 -10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.269 13.482 -12.382 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.928 15.943 -12.297 1.00 0.00 H new ATOM 1085 N LYS A 69 7.357 12.034 -11.929 1.00 0.00 N ATOM 1086 CA LYS A 69 7.587 11.484 -13.267 1.00 0.00 C ATOM 1087 C LYS A 69 9.062 11.652 -13.607 1.00 0.00 C ATOM 1088 O LYS A 69 9.507 12.770 -13.867 1.00 0.00 O ATOM 1089 CB LYS A 69 6.717 12.173 -14.340 1.00 0.00 C ATOM 1090 CG LYS A 69 5.501 11.339 -14.756 1.00 0.00 C ATOM 1091 CD LYS A 69 4.441 11.170 -13.661 1.00 0.00 C ATOM 1092 CE LYS A 69 3.436 10.075 -14.046 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.521 10.466 -15.149 1.00 0.00 N ATOM 0 H LYS A 69 6.739 12.845 -11.912 1.00 0.00 H new ATOM 0 HA LYS A 69 7.307 10.431 -13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.376 13.136 -13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.328 12.376 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.036 11.805 -15.625 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.843 10.352 -15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.923 10.913 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.917 12.113 -13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.983 9.179 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.843 9.814 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.679 9.855 -15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.231 11.457 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.011 10.360 -16.060 1.00 0.00 H new ATOM 1107 N ILE A 70 9.807 10.549 -13.620 1.00 0.00 N ATOM 1108 CA ILE A 70 11.168 10.556 -14.150 1.00 0.00 C ATOM 1109 C ILE A 70 10.996 10.763 -15.664 1.00 0.00 C ATOM 1110 O ILE A 70 11.643 11.634 -16.249 1.00 0.00 O ATOM 1111 CB ILE A 70 11.912 9.268 -13.765 1.00 0.00 C ATOM 1112 CG1 ILE A 70 11.953 9.109 -12.233 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.337 9.320 -14.331 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.562 7.788 -11.765 1.00 0.00 C ATOM 0 H ILE A 70 9.493 9.643 -13.271 1.00 0.00 H new ATOM 0 HA ILE A 70 11.793 11.347 -13.736 1.00 0.00 H new ATOM 0 HB ILE A 70 11.386 8.410 -14.183 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.525 9.933 -11.807 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.939 9.189 -11.842 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.869 8.408 -14.061 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.294 9.407 -15.417 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.861 10.182 -13.918 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.556 7.750 -10.676 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.977 6.957 -12.160 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.588 7.713 -12.125 1.00 0.00 H new ATOM 1126 N THR A 71 10.065 10.021 -16.274 1.00 0.00 N ATOM 1127 CA THR A 71 9.575 10.235 -17.631 1.00 0.00 C ATOM 1128 C THR A 71 8.046 10.141 -17.552 1.00 0.00 C ATOM 1129 O THR A 71 7.552 9.636 -16.539 1.00 0.00 O ATOM 1130 CB THR A 71 10.199 9.246 -18.629 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.978 7.903 -18.254 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.707 9.458 -18.789 1.00 0.00 C ATOM 0 H THR A 71 9.619 9.227 -15.815 1.00 0.00 H new ATOM 0 HA THR A 71 9.868 11.213 -18.013 1.00 0.00 H new ATOM 0 HB THR A 71 9.704 9.445 -19.579 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.389 7.307 -18.915 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.102 8.736 -19.504 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.896 10.468 -19.152 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.198 9.321 -17.826 1.00 0.00 H new ATOM 1140 N PRO A 72 7.281 10.624 -18.553 1.00 0.00 N ATOM 1141 CA PRO A 72 5.825 10.781 -18.484 1.00 0.00 C ATOM 1142 C PRO A 72 5.006 9.593 -17.965 1.00 0.00 C ATOM 1143 O PRO A 72 3.878 9.804 -17.515 1.00 0.00 O ATOM 1144 CB PRO A 72 5.386 11.169 -19.897 1.00 0.00 C ATOM 1145 CG PRO A 72 6.583 11.963 -20.408 1.00 0.00 C ATOM 1146 CD PRO A 72 7.765 11.216 -19.797 1.00 0.00 C ATOM 0 HA PRO A 72 5.618 11.535 -17.725 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.186 10.293 -20.515 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.475 11.768 -19.889 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.628 11.972 -21.497 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.549 13.003 -20.082 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.131 10.446 -20.477 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.596 11.895 -19.606 1.00 0.00 H new ATOM 1154 N THR A 73 5.540 8.373 -17.987 1.00 0.00 N ATOM 1155 CA THR A 73 4.838 7.144 -17.638 1.00 0.00 C ATOM 1156 C THR A 73 5.512 6.398 -16.476 1.00 0.00 C ATOM 1157 O THR A 73 5.134 5.264 -16.170 1.00 0.00 O ATOM 1158 CB THR A 73 4.710 6.291 -18.919 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.947 6.259 -19.617 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.651 6.872 -19.866 1.00 0.00 C ATOM 0 H THR A 73 6.509 8.210 -18.259 1.00 0.00 H new ATOM 0 HA THR A 73 3.840 7.376 -17.265 1.00 0.00 H new ATOM 0 HB THR A 73 4.419 5.287 -18.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.678 6.113 -18.981 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.582 6.251 -20.759 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.684 6.892 -19.363 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.933 7.886 -20.149 1.00 0.00 H new ATOM 1168 N HIS A 74 6.475 7.029 -15.791 1.00 0.00 N ATOM 1169 CA HIS A 74 7.288 6.403 -14.758 1.00 0.00 C ATOM 1170 C HIS A 74 7.348 7.325 -13.547 1.00 0.00 C ATOM 1171 O HIS A 74 8.342 8.014 -13.306 1.00 0.00 O ATOM 1172 CB HIS A 74 8.667 6.035 -15.311 1.00 0.00 C ATOM 1173 CG HIS A 74 8.593 5.043 -16.441 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.659 5.344 -17.779 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.399 3.691 -16.338 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.511 4.203 -18.471 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.355 3.158 -17.635 1.00 0.00 N ATOM 0 H HIS A 74 6.710 8.009 -15.948 1.00 0.00 H new ATOM 0 HA HIS A 74 6.837 5.465 -14.433 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.168 6.939 -15.658 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.277 5.621 -14.508 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.797 6.273 -18.178 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.298 3.133 -15.419 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.516 4.133 -19.549 1.00 0.00 H new ATOM 1185 N ALA A 75 6.226 7.380 -12.825 1.00 0.00 N ATOM 1186 CA ALA A 75 6.149 8.023 -11.523 1.00 0.00 C ATOM 1187 C ALA A 75 7.000 7.209 -10.545 1.00 0.00 C ATOM 1188 O ALA A 75 6.632 6.087 -10.187 1.00 0.00 O ATOM 1189 CB ALA A 75 4.692 8.092 -11.051 1.00 0.00 C ATOM 0 H ALA A 75 5.343 6.975 -13.135 1.00 0.00 H new ATOM 0 HA ALA A 75 6.525 9.045 -11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.648 8.576 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.104 8.666 -11.767 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.286 7.083 -10.975 1.00 0.00 H new ATOM 1195 N MET A 76 8.135 7.772 -10.140 1.00 0.00 N ATOM 1196 CA MET A 76 9.048 7.235 -9.145 1.00 0.00 C ATOM 1197 C MET A 76 8.299 6.804 -7.884 1.00 0.00 C ATOM 1198 O MET A 76 7.658 7.633 -7.232 1.00 0.00 O ATOM 1199 CB MET A 76 10.051 8.350 -8.811 1.00 0.00 C ATOM 1200 CG MET A 76 11.161 7.914 -7.857 1.00 0.00 C ATOM 1201 SD MET A 76 12.209 9.278 -7.284 1.00 0.00 S ATOM 1202 CE MET A 76 12.946 9.884 -8.823 1.00 0.00 C ATOM 0 H MET A 76 8.456 8.663 -10.520 1.00 0.00 H new ATOM 0 HA MET A 76 9.554 6.351 -9.534 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.501 8.711 -9.736 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.514 9.189 -8.369 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.713 7.424 -6.992 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.786 7.173 -8.355 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.539 10.775 -8.616 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.587 9.112 -9.248 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.156 10.130 -9.532 1.00 0.00 H new ATOM 1212 N LYS A 77 8.401 5.530 -7.511 1.00 0.00 N ATOM 1213 CA LYS A 77 7.937 5.042 -6.222 1.00 0.00 C ATOM 1214 C LYS A 77 9.187 4.947 -5.353 1.00 0.00 C ATOM 1215 O LYS A 77 10.256 4.595 -5.854 1.00 0.00 O ATOM 1216 CB LYS A 77 7.219 3.695 -6.410 1.00 0.00 C ATOM 1217 CG LYS A 77 6.596 3.219 -5.089 1.00 0.00 C ATOM 1218 CD LYS A 77 5.660 2.009 -5.236 1.00 0.00 C ATOM 1219 CE LYS A 77 6.428 0.735 -5.610 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.562 -0.471 -5.635 1.00 0.00 N ATOM 0 H LYS A 77 8.811 4.806 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 77 7.207 5.697 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.442 3.795 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.926 2.949 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.396 2.964 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.039 4.044 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.124 1.849 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.912 2.219 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.888 0.867 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.237 0.581 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.132 -1.302 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.143 -0.617 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.804 -0.340 -6.335 1.00 0.00 H new ATOM 1234 N ILE A 78 9.063 5.267 -4.068 1.00 0.00 N ATOM 1235 CA ILE A 78 10.169 5.310 -3.116 1.00 0.00 C ATOM 1236 C ILE A 78 9.671 4.587 -1.871 1.00 0.00 C ATOM 1237 O ILE A 78 8.509 4.744 -1.486 1.00 0.00 O ATOM 1238 CB ILE A 78 10.572 6.771 -2.778 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.854 7.628 -4.034 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.756 6.817 -1.792 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.139 9.103 -3.746 1.00 0.00 C ATOM 0 H ILE A 78 8.166 5.510 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 78 11.060 4.838 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 78 9.706 7.218 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.707 7.203 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.997 7.561 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.011 7.855 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.478 6.313 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.617 6.315 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.325 9.627 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.279 9.549 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.016 9.185 -3.104 1.00 0.00 H new ATOM 1253 N THR A 79 10.576 3.869 -1.222 1.00 0.00 N ATOM 1254 CA THR A 79 10.406 3.187 0.050 1.00 0.00 C ATOM 1255 C THR A 79 11.753 3.281 0.778 1.00 0.00 C ATOM 1256 O THR A 79 12.786 3.507 0.140 1.00 0.00 O ATOM 1257 CB THR A 79 9.980 1.722 -0.195 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.466 1.208 -1.429 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.456 1.579 -0.241 1.00 0.00 C ATOM 0 H THR A 79 11.515 3.739 -1.599 1.00 0.00 H new ATOM 0 HA THR A 79 9.624 3.641 0.658 1.00 0.00 H new ATOM 0 HB THR A 79 10.406 1.165 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.281 1.688 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.194 0.535 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.031 1.907 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.057 2.193 -1.049 1.00 0.00 H new ATOM 1267 N PHE A 80 11.779 3.117 2.101 1.00 0.00 N ATOM 1268 CA PHE A 80 13.053 3.005 2.802 1.00 0.00 C ATOM 1269 C PHE A 80 13.625 1.618 2.520 1.00 0.00 C ATOM 1270 O PHE A 80 12.885 0.630 2.510 1.00 0.00 O ATOM 1271 CB PHE A 80 12.869 3.265 4.300 1.00 0.00 C ATOM 1272 CG PHE A 80 12.518 4.711 4.592 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.514 5.705 4.526 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.189 5.079 4.867 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.183 7.058 4.715 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.858 6.430 5.075 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.852 7.418 4.990 1.00 0.00 C ATOM 0 H PHE A 80 10.952 3.060 2.695 1.00 0.00 H new ATOM 0 HA PHE A 80 13.757 3.758 2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.082 2.617 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.786 3.002 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.538 5.426 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.420 4.322 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.948 7.818 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.839 6.708 5.300 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.594 8.456 5.136 1.00 0.00 H new ATOM 1287 N ALA A 81 14.936 1.543 2.280 1.00 0.00 N ATOM 1288 CA ALA A 81 15.619 0.259 2.223 1.00 0.00 C ATOM 1289 C ALA A 81 15.719 -0.258 3.659 1.00 0.00 C ATOM 1290 O ALA A 81 15.766 0.538 4.604 1.00 0.00 O ATOM 1291 CB ALA A 81 17.002 0.412 1.586 1.00 0.00 C ATOM 0 H ALA A 81 15.537 2.352 2.124 1.00 0.00 H new ATOM 0 HA ALA A 81 15.069 -0.450 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.497 -0.559 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.895 0.800 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.601 1.104 2.178 1.00 0.00 H new