USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 12 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-6.3!) USER MOD Single : A 20 ASN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 171:sc= -0.0509 (180deg=-0.149) USER MOD Single : A 24 THR OG1 : rot 61:sc= 1.03 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 51 LYS NZ :NH3+ -127:sc= 0.403 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -7.69! C(o=-7.7!,f=-8.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -2.96! C(o=-3.7!,f=-3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.117 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 33:sc= -0.842 USER MOD Single : A 77 ASN : amide:sc= -3.81! C(o=-3.8!,f=-6.5!) USER MOD Single : A 79 THR OG1 : rot 158:sc= 0.0197 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -160:sc= -0.551 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 90 ASN : amide:sc= -3.03 K(o=-3,f=-3.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.615 5.520 -1.335 1.00 0.00 N ATOM 72 CA VAL A 6 12.949 5.173 0.029 1.00 0.00 C ATOM 73 C VAL A 6 14.178 4.269 0.062 1.00 0.00 C ATOM 74 O VAL A 6 14.476 3.578 -0.911 1.00 0.00 O ATOM 75 CB VAL A 6 11.756 4.467 0.703 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.869 2.980 0.540 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.633 4.851 2.174 1.00 0.00 C ATOM 0 HA VAL A 6 13.174 6.089 0.576 1.00 0.00 H new ATOM 0 HB VAL A 6 10.845 4.801 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.019 2.496 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.876 2.730 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.794 2.633 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.781 4.334 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.543 4.566 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.487 5.928 2.258 1.00 0.00 H new ATOM 87 N TRP A 7 14.885 4.273 1.184 1.00 0.00 N ATOM 88 CA TRP A 7 16.075 3.446 1.329 1.00 0.00 C ATOM 89 C TRP A 7 15.948 2.512 2.524 1.00 0.00 C ATOM 90 O TRP A 7 15.638 2.946 3.634 1.00 0.00 O ATOM 91 CB TRP A 7 17.313 4.331 1.467 1.00 0.00 C ATOM 92 CG TRP A 7 17.573 5.161 0.248 1.00 0.00 C ATOM 93 CD1 TRP A 7 17.002 6.361 -0.064 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.464 4.847 -0.827 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.484 6.813 -1.269 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.384 5.902 -1.756 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.321 3.776 -1.093 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.131 5.916 -2.932 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.062 3.792 -2.260 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.963 4.856 -3.167 1.00 0.00 C ATOM 0 H TRP A 7 14.657 4.837 2.003 1.00 0.00 H new ATOM 0 HA TRP A 7 16.179 2.831 0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.190 4.988 2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.182 3.704 1.666 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.278 6.879 0.547 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.216 7.684 -1.726 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.403 2.952 -0.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.056 6.734 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.729 2.970 -2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.556 4.839 -4.070 1.00 0.00 H new ATOM 111 N GLY A 8 16.188 1.226 2.290 1.00 0.00 N ATOM 112 CA GLY A 8 16.091 0.248 3.369 1.00 0.00 C ATOM 113 C GLY A 8 17.087 -0.885 3.215 1.00 0.00 C ATOM 114 O GLY A 8 17.843 -0.920 2.246 1.00 0.00 O ATOM 0 H GLY A 8 16.446 0.841 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.257 0.747 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.081 -0.161 3.395 1.00 0.00 H new ATOM 118 N ALA A 9 17.096 -1.814 4.170 1.00 0.00 N ATOM 119 CA ALA A 9 18.013 -2.944 4.116 1.00 0.00 C ATOM 120 C ALA A 9 17.263 -4.263 4.215 1.00 0.00 C ATOM 121 O ALA A 9 16.372 -4.423 5.048 1.00 0.00 O ATOM 122 CB ALA A 9 19.049 -2.843 5.223 1.00 0.00 C ATOM 0 H ALA A 9 16.482 -1.804 4.984 1.00 0.00 H new ATOM 0 HA ALA A 9 18.524 -2.915 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.726 -3.696 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.618 -1.920 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.548 -2.840 6.191 1.00 0.00 H new ATOM 128 N LEU A 10 17.632 -5.207 3.361 1.00 0.00 N ATOM 129 CA LEU A 10 16.995 -6.521 3.351 1.00 0.00 C ATOM 130 C LEU A 10 17.010 -7.139 4.741 1.00 0.00 C ATOM 131 O LEU A 10 18.038 -7.150 5.418 1.00 0.00 O ATOM 132 CB LEU A 10 17.711 -7.444 2.360 1.00 0.00 C ATOM 133 CG LEU A 10 16.801 -8.324 1.499 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.289 -7.548 0.297 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.547 -9.567 1.052 1.00 0.00 C ATOM 0 H LEU A 10 18.369 -5.090 2.665 1.00 0.00 H new ATOM 0 HA LEU A 10 15.958 -6.397 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.325 -6.832 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.389 -8.090 2.918 1.00 0.00 H new ATOM 0 HG LEU A 10 15.943 -8.629 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.644 -8.190 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.722 -6.681 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.133 -7.215 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.890 -10.185 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.420 -9.277 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.868 -10.133 1.927 1.00 0.00 H new ATOM 147 N GLY A 11 15.861 -7.650 5.163 1.00 0.00 N ATOM 148 CA GLY A 11 15.765 -8.260 6.472 1.00 0.00 C ATOM 149 C GLY A 11 15.292 -7.290 7.541 1.00 0.00 C ATOM 150 O GLY A 11 14.947 -7.707 8.648 1.00 0.00 O ATOM 0 H GLY A 11 14.996 -7.652 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.078 -9.105 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.740 -8.658 6.755 1.00 0.00 H new ATOM 154 N HIS A 12 15.276 -5.994 7.225 1.00 0.00 N ATOM 155 CA HIS A 12 14.844 -4.991 8.179 1.00 0.00 C ATOM 156 C HIS A 12 13.441 -4.494 7.818 1.00 0.00 C ATOM 157 O HIS A 12 12.913 -4.824 6.753 1.00 0.00 O ATOM 158 CB HIS A 12 15.885 -3.861 8.221 1.00 0.00 C ATOM 159 CG HIS A 12 15.335 -2.476 8.231 1.00 0.00 C ATOM 160 ND1 HIS A 12 15.031 -1.782 9.381 1.00 0.00 N ATOM 161 CD2 HIS A 12 15.086 -1.642 7.207 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.616 -0.569 9.060 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.642 -0.458 7.743 1.00 0.00 N ATOM 0 H HIS A 12 15.557 -5.623 6.318 1.00 0.00 H new ATOM 0 HA HIS A 12 14.776 -5.416 9.180 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.502 -3.993 9.109 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.542 -3.965 7.358 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.212 -1.862 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.309 0.199 9.754 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.376 0.371 7.212 1.00 0.00 H new ATOM 172 N GLY A 13 12.834 -3.729 8.721 1.00 0.00 N ATOM 173 CA GLY A 13 11.486 -3.227 8.490 1.00 0.00 C ATOM 174 C GLY A 13 11.446 -2.019 7.576 1.00 0.00 C ATOM 175 O GLY A 13 12.475 -1.430 7.273 1.00 0.00 O ATOM 0 H GLY A 13 13.249 -3.447 9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.879 -4.022 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.034 -2.965 9.447 1.00 0.00 H new ATOM 179 N ILE A 14 10.248 -1.648 7.136 1.00 0.00 N ATOM 180 CA ILE A 14 10.082 -0.500 6.252 1.00 0.00 C ATOM 181 C ILE A 14 8.606 -0.282 5.918 1.00 0.00 C ATOM 182 O ILE A 14 7.858 -1.241 5.717 1.00 0.00 O ATOM 183 CB ILE A 14 10.909 -0.670 4.951 1.00 0.00 C ATOM 184 CG1 ILE A 14 11.098 0.674 4.248 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.265 -1.680 4.012 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.350 1.405 4.680 1.00 0.00 C ATOM 0 H ILE A 14 9.379 -2.125 7.377 1.00 0.00 H new ATOM 0 HA ILE A 14 10.453 0.379 6.778 1.00 0.00 H new ATOM 0 HB ILE A 14 11.890 -1.053 5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.134 0.511 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.231 1.305 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.870 -1.775 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.199 -2.648 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.264 -1.341 3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.423 2.351 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.307 1.599 5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.224 0.793 4.457 1.00 0.00 H new ATOM 198 N ASP A 15 8.187 0.979 5.876 1.00 0.00 N ATOM 199 CA ASP A 15 6.797 1.308 5.580 1.00 0.00 C ATOM 200 C ASP A 15 6.684 2.256 4.388 1.00 0.00 C ATOM 201 O ASP A 15 7.364 3.280 4.325 1.00 0.00 O ATOM 202 CB ASP A 15 6.133 1.937 6.808 1.00 0.00 C ATOM 203 CG ASP A 15 4.669 2.259 6.577 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.376 3.090 5.692 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.815 1.680 7.282 1.00 0.00 O ATOM 0 H ASP A 15 8.787 1.787 6.042 1.00 0.00 H new ATOM 0 HA ASP A 15 6.285 0.381 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.222 1.256 7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.664 2.850 7.076 1.00 0.00 H new ATOM 210 N LEU A 16 5.802 1.909 3.454 1.00 0.00 N ATOM 211 CA LEU A 16 5.570 2.726 2.266 1.00 0.00 C ATOM 212 C LEU A 16 4.496 3.769 2.564 1.00 0.00 C ATOM 213 O LEU A 16 3.340 3.423 2.804 1.00 0.00 O ATOM 214 CB LEU A 16 5.124 1.834 1.094 1.00 0.00 C ATOM 215 CG LEU A 16 6.122 1.620 -0.066 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.507 2.176 0.239 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.219 0.139 -0.406 1.00 0.00 C ATOM 0 H LEU A 16 5.234 1.063 3.498 1.00 0.00 H new ATOM 0 HA LEU A 16 6.496 3.232 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.864 0.855 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.211 2.260 0.677 1.00 0.00 H new ATOM 0 HG LEU A 16 5.737 2.173 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.166 1.997 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.436 3.248 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.911 1.681 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.925 -0.001 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.563 -0.413 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.238 -0.231 -0.705 1.00 0.00 H new ATOM 229 N ASP A 17 4.881 5.041 2.565 1.00 0.00 N ATOM 230 CA ASP A 17 3.936 6.115 2.857 1.00 0.00 C ATOM 231 C ASP A 17 3.395 6.760 1.584 1.00 0.00 C ATOM 232 O ASP A 17 4.153 7.216 0.729 1.00 0.00 O ATOM 233 CB ASP A 17 4.591 7.177 3.738 1.00 0.00 C ATOM 234 CG ASP A 17 4.698 6.739 5.187 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.870 5.909 5.621 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.610 7.226 5.887 1.00 0.00 O ATOM 0 H ASP A 17 5.832 5.353 2.369 1.00 0.00 H new ATOM 0 HA ASP A 17 3.096 5.670 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.586 7.401 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.013 8.099 3.682 1.00 0.00 H new ATOM 241 N ILE A 18 2.071 6.794 1.481 1.00 0.00 N ATOM 242 CA ILE A 18 1.391 7.381 0.333 1.00 0.00 C ATOM 243 C ILE A 18 1.297 8.901 0.461 1.00 0.00 C ATOM 244 O ILE A 18 0.706 9.412 1.413 1.00 0.00 O ATOM 245 CB ILE A 18 -0.032 6.809 0.205 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.021 5.286 0.116 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.750 7.396 -1.005 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.189 4.685 -0.557 1.00 0.00 C ATOM 0 H ILE A 18 1.441 6.417 2.189 1.00 0.00 H new ATOM 0 HA ILE A 18 1.975 7.133 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.597 7.088 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.916 4.992 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.112 4.873 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.753 6.975 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.817 8.479 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.194 7.154 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.087 3.600 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.086 4.950 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.269 5.070 -1.573 1.00 0.00 H new ATOM 260 N PRO A 19 1.878 9.651 -0.492 1.00 0.00 N ATOM 261 CA PRO A 19 1.848 11.118 -0.464 1.00 0.00 C ATOM 262 C PRO A 19 0.428 11.684 -0.499 1.00 0.00 C ATOM 263 O PRO A 19 -0.388 11.304 -1.339 1.00 0.00 O ATOM 264 CB PRO A 19 2.614 11.524 -1.730 1.00 0.00 C ATOM 265 CG PRO A 19 3.428 10.328 -2.087 1.00 0.00 C ATOM 266 CD PRO A 19 2.617 9.141 -1.663 1.00 0.00 C ATOM 0 HA PRO A 19 2.283 11.506 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.931 11.792 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.247 12.392 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.633 10.300 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.392 10.345 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.943 8.808 -2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.249 8.291 -1.404 1.00 0.00 H new ATOM 274 N ASN A 20 0.154 12.611 0.417 1.00 0.00 N ATOM 275 CA ASN A 20 -1.150 13.270 0.510 1.00 0.00 C ATOM 276 C ASN A 20 -2.327 12.298 0.360 1.00 0.00 C ATOM 277 O ASN A 20 -3.099 12.391 -0.595 1.00 0.00 O ATOM 278 CB ASN A 20 -1.254 14.371 -0.548 1.00 0.00 C ATOM 279 CG ASN A 20 -0.358 15.555 -0.240 1.00 0.00 C ATOM 280 OD1 ASN A 20 0.510 15.915 -1.036 1.00 0.00 O ATOM 281 ND2 ASN A 20 -0.563 16.166 0.921 1.00 0.00 N ATOM 0 H ASN A 20 0.827 12.927 1.115 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.215 13.698 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.988 13.961 -1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.288 14.709 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.010 16.968 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.294 15.834 1.550 1.00 0.00 H new ATOM 288 N PHE A 21 -2.474 11.378 1.311 1.00 0.00 N ATOM 289 CA PHE A 21 -3.563 10.415 1.285 1.00 0.00 C ATOM 290 C PHE A 21 -4.085 10.158 2.698 1.00 0.00 C ATOM 291 O PHE A 21 -3.335 10.236 3.671 1.00 0.00 O ATOM 292 CB PHE A 21 -3.082 9.118 0.644 1.00 0.00 C ATOM 293 CG PHE A 21 -3.873 7.904 1.031 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.189 7.765 0.639 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.295 6.911 1.795 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.921 6.650 1.006 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.014 5.792 2.165 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.332 5.662 1.771 1.00 0.00 C ATOM 0 H PHE A 21 -1.848 11.282 2.110 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.383 10.820 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.116 9.228 -0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.038 8.958 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.652 8.535 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.266 7.010 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.951 6.552 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.548 5.021 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.900 4.790 2.060 1.00 0.00 H new ATOM 308 N GLN A 22 -5.374 9.853 2.801 1.00 0.00 N ATOM 309 CA GLN A 22 -5.995 9.586 4.093 1.00 0.00 C ATOM 310 C GLN A 22 -6.956 8.405 4.002 1.00 0.00 C ATOM 311 O GLN A 22 -7.949 8.455 3.277 1.00 0.00 O ATOM 312 CB GLN A 22 -6.739 10.827 4.591 1.00 0.00 C ATOM 313 CG GLN A 22 -5.868 11.776 5.398 1.00 0.00 C ATOM 314 CD GLN A 22 -6.143 13.233 5.079 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.004 13.862 5.694 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.410 13.776 4.114 1.00 0.00 N ATOM 0 H GLN A 22 -6.009 9.785 2.006 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.206 9.335 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.149 11.363 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.584 10.512 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.036 11.603 6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.819 11.556 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.707 13.216 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.550 14.753 3.856 1.00 0.00 H new ATOM 325 N MET A 23 -6.654 7.345 4.744 1.00 0.00 N ATOM 326 CA MET A 23 -7.491 6.151 4.747 1.00 0.00 C ATOM 327 C MET A 23 -8.696 6.334 5.664 1.00 0.00 C ATOM 328 O MET A 23 -8.686 5.895 6.814 1.00 0.00 O ATOM 329 CB MET A 23 -6.679 4.934 5.191 1.00 0.00 C ATOM 330 CG MET A 23 -7.363 3.608 4.902 1.00 0.00 C ATOM 331 SD MET A 23 -8.185 2.919 6.352 1.00 0.00 S ATOM 332 CE MET A 23 -7.422 1.301 6.438 1.00 0.00 C ATOM 0 H MET A 23 -5.836 7.288 5.351 1.00 0.00 H new ATOM 0 HA MET A 23 -7.851 5.988 3.731 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.711 4.951 4.690 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.485 5.008 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.095 3.747 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.625 2.895 4.535 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.706 0.814 7.371 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.757 0.695 5.596 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.338 1.407 6.399 1.00 0.00 H new ATOM 342 N THR A 24 -9.733 6.984 5.147 1.00 0.00 N ATOM 343 CA THR A 24 -10.947 7.227 5.918 1.00 0.00 C ATOM 344 C THR A 24 -12.136 6.498 5.299 1.00 0.00 C ATOM 345 O THR A 24 -11.982 5.735 4.347 1.00 0.00 O ATOM 346 CB THR A 24 -11.235 8.728 5.995 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.632 9.410 4.910 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.734 9.366 7.273 1.00 0.00 C ATOM 0 H THR A 24 -9.757 7.352 4.196 1.00 0.00 H new ATOM 0 HA THR A 24 -10.793 6.843 6.926 1.00 0.00 H new ATOM 0 HB THR A 24 -12.321 8.817 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.002 9.075 4.067 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.970 10.430 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.217 8.894 8.129 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.655 9.234 7.347 1.00 0.00 H new ATOM 356 N ASP A 25 -13.323 6.740 5.848 1.00 0.00 N ATOM 357 CA ASP A 25 -14.540 6.107 5.350 1.00 0.00 C ATOM 358 C ASP A 25 -14.742 6.404 3.867 1.00 0.00 C ATOM 359 O ASP A 25 -15.305 5.592 3.132 1.00 0.00 O ATOM 360 CB ASP A 25 -15.753 6.587 6.148 1.00 0.00 C ATOM 361 CG ASP A 25 -15.912 8.095 6.106 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.883 8.801 6.152 1.00 0.00 O ATOM 363 OD2 ASP A 25 -17.065 8.568 6.031 1.00 0.00 O ATOM 0 H ASP A 25 -13.468 7.370 6.637 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.435 5.029 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.654 6.118 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.654 6.263 7.184 1.00 0.00 H new ATOM 368 N ASP A 26 -14.279 7.571 3.434 1.00 0.00 N ATOM 369 CA ASP A 26 -14.409 7.976 2.038 1.00 0.00 C ATOM 370 C ASP A 26 -13.680 7.000 1.119 1.00 0.00 C ATOM 371 O ASP A 26 -14.054 6.830 -0.042 1.00 0.00 O ATOM 372 CB ASP A 26 -13.856 9.389 1.841 1.00 0.00 C ATOM 373 CG ASP A 26 -12.382 9.486 2.184 1.00 0.00 C ATOM 374 OD1 ASP A 26 -11.881 8.602 2.910 1.00 0.00 O ATOM 375 OD2 ASP A 26 -11.728 10.446 1.724 1.00 0.00 O ATOM 0 H ASP A 26 -13.810 8.254 4.029 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.468 7.969 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.006 9.694 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.418 10.086 2.463 1.00 0.00 H new ATOM 380 N ILE A 27 -12.640 6.360 1.645 1.00 0.00 N ATOM 381 CA ILE A 27 -11.862 5.405 0.878 1.00 0.00 C ATOM 382 C ILE A 27 -12.561 4.037 0.857 1.00 0.00 C ATOM 383 O ILE A 27 -12.923 3.512 1.909 1.00 0.00 O ATOM 384 CB ILE A 27 -10.449 5.261 1.481 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.716 6.606 1.441 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.647 4.198 0.746 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.785 7.301 0.096 1.00 0.00 C ATOM 0 H ILE A 27 -12.319 6.490 2.604 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.777 5.773 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.553 4.947 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.140 7.263 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.670 6.447 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.655 4.117 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.158 3.238 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.552 4.475 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.244 8.246 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.334 6.665 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.827 7.493 -0.161 1.00 0.00 H new ATOM 399 N ASP A 28 -12.767 3.463 -0.335 1.00 0.00 N ATOM 400 CA ASP A 28 -13.439 2.177 -0.449 1.00 0.00 C ATOM 401 C ASP A 28 -12.486 1.081 -0.915 1.00 0.00 C ATOM 402 O ASP A 28 -12.511 -0.028 -0.382 1.00 0.00 O ATOM 403 CB ASP A 28 -14.617 2.283 -1.418 1.00 0.00 C ATOM 404 CG ASP A 28 -15.862 1.599 -0.889 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.268 1.906 0.251 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.432 0.758 -1.616 1.00 0.00 O ATOM 0 H ASP A 28 -12.478 3.871 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.803 1.907 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.835 3.334 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.339 1.838 -2.374 1.00 0.00 H new ATOM 411 N GLU A 29 -11.659 1.374 -1.919 1.00 0.00 N ATOM 412 CA GLU A 29 -10.735 0.363 -2.430 1.00 0.00 C ATOM 413 C GLU A 29 -9.289 0.864 -2.469 1.00 0.00 C ATOM 414 O GLU A 29 -8.961 1.790 -3.211 1.00 0.00 O ATOM 415 CB GLU A 29 -11.173 -0.085 -3.828 1.00 0.00 C ATOM 416 CG GLU A 29 -10.310 -1.187 -4.422 1.00 0.00 C ATOM 417 CD GLU A 29 -10.737 -1.566 -5.827 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.897 -1.279 -6.193 1.00 0.00 O ATOM 419 OE2 GLU A 29 -9.913 -2.148 -6.561 1.00 0.00 O ATOM 0 H GLU A 29 -11.609 2.280 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.766 -0.484 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.205 -0.432 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.156 0.776 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.270 -0.861 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.359 -2.067 -3.781 1.00 0.00 H new ATOM 426 N VAL A 30 -8.421 0.225 -1.679 1.00 0.00 N ATOM 427 CA VAL A 30 -7.003 0.584 -1.637 1.00 0.00 C ATOM 428 C VAL A 30 -6.160 -0.554 -2.206 1.00 0.00 C ATOM 429 O VAL A 30 -6.119 -1.645 -1.638 1.00 0.00 O ATOM 430 CB VAL A 30 -6.520 0.895 -0.202 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.218 1.681 -0.237 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.588 1.654 0.574 1.00 0.00 C ATOM 0 H VAL A 30 -8.677 -0.544 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.884 1.485 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.337 -0.049 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.892 1.891 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.454 1.096 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.374 2.619 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.227 1.862 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.809 2.593 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.494 1.051 0.631 1.00 0.00 H new ATOM 442 N ARG A 31 -5.504 -0.308 -3.336 1.00 0.00 N ATOM 443 CA ARG A 31 -4.685 -1.337 -3.977 1.00 0.00 C ATOM 444 C ARG A 31 -3.200 -0.992 -3.948 1.00 0.00 C ATOM 445 O ARG A 31 -2.798 0.112 -4.308 1.00 0.00 O ATOM 446 CB ARG A 31 -5.132 -1.560 -5.428 1.00 0.00 C ATOM 447 CG ARG A 31 -6.597 -1.238 -5.682 1.00 0.00 C ATOM 448 CD ARG A 31 -6.939 -1.324 -7.160 1.00 0.00 C ATOM 449 NE ARG A 31 -6.672 -2.651 -7.709 1.00 0.00 N ATOM 450 CZ ARG A 31 -7.197 -3.104 -8.845 1.00 0.00 C ATOM 451 NH1 ARG A 31 -8.016 -2.338 -9.557 1.00 0.00 N ATOM 452 NH2 ARG A 31 -6.902 -4.323 -9.273 1.00 0.00 N ATOM 0 H ARG A 31 -5.521 0.587 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.829 -2.254 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.517 -0.946 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.947 -2.600 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.225 -1.930 -5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.819 -0.236 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.991 -1.078 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.360 -0.582 -7.709 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.046 -3.267 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.245 -1.398 -9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.416 -2.690 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.272 -4.915 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.305 -4.669 -10.144 1.00 0.00 H new ATOM 466 N TRP A 32 -2.392 -1.968 -3.544 1.00 0.00 N ATOM 467 CA TRP A 32 -0.944 -1.812 -3.490 1.00 0.00 C ATOM 468 C TRP A 32 -0.309 -2.729 -4.527 1.00 0.00 C ATOM 469 O TRP A 32 0.095 -3.850 -4.214 1.00 0.00 O ATOM 470 CB TRP A 32 -0.412 -2.155 -2.095 1.00 0.00 C ATOM 471 CG TRP A 32 -0.613 -1.069 -1.077 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.707 -0.875 -0.280 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.316 -0.032 -0.741 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.513 0.221 0.528 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.280 0.756 0.262 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.593 0.307 -1.193 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.361 1.861 0.820 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.227 1.404 -0.640 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.610 2.169 0.357 1.00 0.00 C ATOM 0 H TRP A 32 -2.722 -2.886 -3.246 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.689 -0.774 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.903 -3.063 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.653 -2.377 -2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.593 -1.492 -0.284 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.179 0.578 1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.077 -0.278 -1.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.112 2.452 1.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.215 1.675 -0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.132 3.020 0.769 1.00 0.00 H new ATOM 490 N GLU A 33 -0.254 -2.262 -5.770 1.00 0.00 N ATOM 491 CA GLU A 33 0.297 -3.064 -6.856 1.00 0.00 C ATOM 492 C GLU A 33 1.738 -2.689 -7.177 1.00 0.00 C ATOM 493 O GLU A 33 2.155 -1.543 -7.003 1.00 0.00 O ATOM 494 CB GLU A 33 -0.566 -2.914 -8.111 1.00 0.00 C ATOM 495 CG GLU A 33 -2.027 -3.266 -7.890 1.00 0.00 C ATOM 496 CD GLU A 33 -2.917 -2.805 -9.028 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.873 -3.433 -10.107 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.657 -1.816 -8.839 1.00 0.00 O ATOM 0 H GLU A 33 -0.582 -1.338 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 33 0.292 -4.102 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.498 -1.886 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.162 -3.551 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.123 -4.345 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.369 -2.813 -6.960 1.00 0.00 H new ATOM 505 N ARG A 34 2.484 -3.673 -7.663 1.00 0.00 N ATOM 506 CA ARG A 34 3.877 -3.484 -8.039 1.00 0.00 C ATOM 507 C ARG A 34 4.178 -4.279 -9.303 1.00 0.00 C ATOM 508 O ARG A 34 4.089 -5.509 -9.307 1.00 0.00 O ATOM 509 CB ARG A 34 4.804 -3.924 -6.905 1.00 0.00 C ATOM 510 CG ARG A 34 6.205 -3.340 -7.003 1.00 0.00 C ATOM 511 CD ARG A 34 7.272 -4.403 -6.794 1.00 0.00 C ATOM 512 NE ARG A 34 7.637 -5.066 -8.043 1.00 0.00 N ATOM 513 CZ ARG A 34 8.761 -5.757 -8.215 1.00 0.00 C ATOM 514 NH1 ARG A 34 9.632 -5.880 -7.220 1.00 0.00 N ATOM 515 NH2 ARG A 34 9.015 -6.328 -9.384 1.00 0.00 N ATOM 0 H ARG A 34 2.140 -4.622 -7.807 1.00 0.00 H new ATOM 0 HA ARG A 34 4.050 -2.425 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.363 -3.631 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.872 -5.012 -6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.339 -2.877 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.324 -2.553 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.158 -3.945 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.910 -5.145 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 34 6.992 -4.995 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.441 -5.444 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.492 -6.411 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.349 -6.238 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.877 -6.858 -9.516 1.00 0.00 H new ATOM 529 N GLY A 35 4.513 -3.579 -10.380 1.00 0.00 N ATOM 530 CA GLY A 35 4.796 -4.254 -11.632 1.00 0.00 C ATOM 531 C GLY A 35 3.620 -5.085 -12.100 1.00 0.00 C ATOM 532 O GLY A 35 2.542 -4.556 -12.368 1.00 0.00 O ATOM 0 H GLY A 35 4.593 -2.563 -10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.046 -3.516 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.669 -4.895 -11.510 1.00 0.00 H new ATOM 536 N SER A 36 3.829 -6.389 -12.187 1.00 0.00 N ATOM 537 CA SER A 36 2.778 -7.305 -12.612 1.00 0.00 C ATOM 538 C SER A 36 2.398 -8.256 -11.479 1.00 0.00 C ATOM 539 O SER A 36 2.222 -9.455 -11.694 1.00 0.00 O ATOM 540 CB SER A 36 3.234 -8.104 -13.835 1.00 0.00 C ATOM 541 OG SER A 36 4.151 -7.359 -14.619 1.00 0.00 O ATOM 0 H SER A 36 4.718 -6.839 -11.969 1.00 0.00 H new ATOM 0 HA SER A 36 1.900 -6.717 -12.879 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.700 -9.035 -13.512 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.369 -8.374 -14.440 1.00 0.00 H new ATOM 0 HG SER A 36 4.428 -7.892 -15.393 1.00 0.00 H new ATOM 547 N THR A 37 2.283 -7.713 -10.268 1.00 0.00 N ATOM 548 CA THR A 37 1.935 -8.519 -9.101 1.00 0.00 C ATOM 549 C THR A 37 1.211 -7.683 -8.048 1.00 0.00 C ATOM 550 O THR A 37 1.316 -6.456 -8.035 1.00 0.00 O ATOM 551 CB THR A 37 3.204 -9.129 -8.499 1.00 0.00 C ATOM 552 OG1 THR A 37 3.832 -9.996 -9.427 1.00 0.00 O ATOM 553 CG2 THR A 37 2.958 -9.920 -7.230 1.00 0.00 C ATOM 0 H THR A 37 2.425 -6.722 -10.071 1.00 0.00 H new ATOM 0 HA THR A 37 1.262 -9.314 -9.423 1.00 0.00 H new ATOM 0 HB THR A 37 3.839 -8.277 -8.255 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.642 -10.375 -9.025 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.902 -10.321 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.522 -9.268 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.272 -10.741 -7.440 1.00 0.00 H new ATOM 561 N LEU A 38 0.493 -8.358 -7.151 1.00 0.00 N ATOM 562 CA LEU A 38 -0.225 -7.676 -6.077 1.00 0.00 C ATOM 563 C LEU A 38 0.525 -7.849 -4.766 1.00 0.00 C ATOM 564 O LEU A 38 1.149 -8.884 -4.530 1.00 0.00 O ATOM 565 CB LEU A 38 -1.649 -8.223 -5.909 1.00 0.00 C ATOM 566 CG LEU A 38 -2.774 -7.384 -6.523 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.100 -8.111 -6.367 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.836 -6.012 -5.866 1.00 0.00 C ATOM 0 H LEU A 38 0.394 -9.373 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.289 -6.621 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.687 -9.220 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.849 -8.336 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.571 -7.242 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.898 -7.511 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.049 -9.074 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.305 -8.270 -5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.641 -5.430 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.024 -6.128 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.888 -5.495 -6.014 1.00 0.00 H new ATOM 580 N VAL A 39 0.453 -6.843 -3.914 1.00 0.00 N ATOM 581 CA VAL A 39 1.115 -6.898 -2.627 1.00 0.00 C ATOM 582 C VAL A 39 0.090 -6.814 -1.501 1.00 0.00 C ATOM 583 O VAL A 39 0.168 -7.551 -0.517 1.00 0.00 O ATOM 584 CB VAL A 39 2.148 -5.761 -2.487 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.641 -5.651 -1.055 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.316 -5.986 -3.444 1.00 0.00 C ATOM 0 H VAL A 39 -0.058 -5.978 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 39 1.642 -7.850 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 39 1.662 -4.821 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.368 -4.842 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.799 -5.442 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.110 -6.589 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.037 -5.176 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.799 -6.936 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.947 -6.007 -4.470 1.00 0.00 H new ATOM 596 N ALA A 40 -0.877 -5.919 -1.665 1.00 0.00 N ATOM 597 CA ALA A 40 -1.928 -5.743 -0.670 1.00 0.00 C ATOM 598 C ALA A 40 -3.088 -4.920 -1.223 1.00 0.00 C ATOM 599 O ALA A 40 -2.942 -3.731 -1.503 1.00 0.00 O ATOM 600 CB ALA A 40 -1.367 -5.091 0.583 1.00 0.00 C ATOM 0 H ALA A 40 -0.955 -5.305 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.312 -6.730 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.164 -4.966 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.584 -5.722 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.951 -4.116 0.330 1.00 0.00 H new ATOM 606 N GLU A 41 -4.240 -5.562 -1.375 1.00 0.00 N ATOM 607 CA GLU A 41 -5.428 -4.889 -1.892 1.00 0.00 C ATOM 608 C GLU A 41 -6.571 -4.943 -0.885 1.00 0.00 C ATOM 609 O GLU A 41 -7.072 -6.018 -0.552 1.00 0.00 O ATOM 610 CB GLU A 41 -5.863 -5.519 -3.218 1.00 0.00 C ATOM 611 CG GLU A 41 -5.812 -4.554 -4.388 1.00 0.00 C ATOM 612 CD GLU A 41 -6.031 -5.240 -5.722 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.755 -6.258 -5.754 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.479 -4.761 -6.735 1.00 0.00 O ATOM 0 H GLU A 41 -4.378 -6.547 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.174 -3.843 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.222 -6.374 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.879 -5.900 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.571 -3.783 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.845 -4.051 -4.397 1.00 0.00 H new ATOM 621 N PHE A 42 -6.981 -3.774 -0.407 1.00 0.00 N ATOM 622 CA PHE A 42 -8.068 -3.679 0.557 1.00 0.00 C ATOM 623 C PHE A 42 -9.371 -3.295 -0.137 1.00 0.00 C ATOM 624 O PHE A 42 -9.362 -2.631 -1.174 1.00 0.00 O ATOM 625 CB PHE A 42 -7.726 -2.655 1.645 1.00 0.00 C ATOM 626 CG PHE A 42 -8.886 -2.308 2.536 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.763 -1.297 2.184 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.099 -2.995 3.720 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.833 -0.974 2.996 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.167 -2.677 4.537 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.035 -1.665 4.175 1.00 0.00 C ATOM 0 H PHE A 42 -6.575 -2.877 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.200 -4.656 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.914 -3.047 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.358 -1.745 1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.609 -0.754 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.423 -3.787 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.510 -0.183 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.323 -3.219 5.458 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.870 -1.415 4.813 1.00 0.00 H new ATOM 748 N PRO A 48 -10.008 -8.740 1.252 1.00 0.00 N ATOM 749 CA PRO A 48 -8.822 -8.161 0.620 1.00 0.00 C ATOM 750 C PRO A 48 -7.856 -9.226 0.106 1.00 0.00 C ATOM 751 O PRO A 48 -8.175 -10.415 0.094 1.00 0.00 O ATOM 752 CB PRO A 48 -8.190 -7.371 1.760 1.00 0.00 C ATOM 753 CG PRO A 48 -8.535 -8.143 2.987 1.00 0.00 C ATOM 754 CD PRO A 48 -9.867 -8.802 2.720 1.00 0.00 C ATOM 0 HA PRO A 48 -9.068 -7.563 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.110 -7.288 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.585 -6.356 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.770 -8.889 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.595 -7.486 3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.882 -9.831 3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.680 -8.277 3.222 1.00 0.00 H new ATOM 762 N PHE A 49 -6.673 -8.790 -0.316 1.00 0.00 N ATOM 763 CA PHE A 49 -5.657 -9.702 -0.829 1.00 0.00 C ATOM 764 C PHE A 49 -4.282 -9.381 -0.254 1.00 0.00 C ATOM 765 O PHE A 49 -3.636 -8.420 -0.668 1.00 0.00 O ATOM 766 CB PHE A 49 -5.597 -9.633 -2.358 1.00 0.00 C ATOM 767 CG PHE A 49 -4.436 -10.394 -2.944 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.530 -11.757 -3.173 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.248 -9.746 -3.253 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.462 -12.460 -3.698 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.180 -10.445 -3.781 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.286 -11.803 -4.003 1.00 0.00 C ATOM 0 H PHE A 49 -6.394 -7.809 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.937 -10.709 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.526 -10.028 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.531 -8.589 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.448 -12.276 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.158 -8.684 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.547 -13.523 -3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.262 -9.929 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.451 -12.351 -4.414 1.00 0.00 H new ATOM 782 N LEU A 50 -3.832 -10.200 0.688 1.00 0.00 N ATOM 783 CA LEU A 50 -2.528 -10.013 1.299 1.00 0.00 C ATOM 784 C LEU A 50 -1.510 -10.955 0.657 1.00 0.00 C ATOM 785 O LEU A 50 -1.587 -12.172 0.829 1.00 0.00 O ATOM 786 CB LEU A 50 -2.612 -10.274 2.805 1.00 0.00 C ATOM 787 CG LEU A 50 -2.804 -9.028 3.673 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.748 -9.391 5.149 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.753 -7.980 3.339 1.00 0.00 C ATOM 0 H LEU A 50 -4.354 -11.001 1.044 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.206 -8.984 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.439 -10.959 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.700 -10.780 3.121 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.788 -8.609 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.886 -8.492 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.538 -10.106 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.779 -9.835 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.904 -7.101 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.760 -8.390 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.841 -7.698 2.290 1.00 0.00 H new ATOM 801 N LYS A 51 -0.563 -10.390 -0.093 1.00 0.00 N ATOM 802 CA LYS A 51 0.460 -11.187 -0.769 1.00 0.00 C ATOM 803 C LYS A 51 1.041 -12.256 0.155 1.00 0.00 C ATOM 804 O LYS A 51 1.248 -13.396 -0.258 1.00 0.00 O ATOM 805 CB LYS A 51 1.578 -10.281 -1.288 1.00 0.00 C ATOM 806 CG LYS A 51 2.700 -11.034 -1.985 1.00 0.00 C ATOM 807 CD LYS A 51 3.648 -10.084 -2.698 1.00 0.00 C ATOM 808 CE LYS A 51 4.672 -10.839 -3.531 1.00 0.00 C ATOM 809 NZ LYS A 51 5.772 -11.389 -2.692 1.00 0.00 N ATOM 0 H LYS A 51 -0.484 -9.385 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.015 -11.692 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.153 -9.556 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.994 -9.718 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.254 -11.622 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.277 -11.736 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.078 -9.414 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.161 -9.462 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.179 -11.653 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.089 -10.172 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.688 -11.084 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.673 -11.040 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.724 -12.428 -2.694 1.00 0.00 H new ATOM 823 N SER A 52 1.302 -11.882 1.403 1.00 0.00 N ATOM 824 CA SER A 52 1.859 -12.818 2.374 1.00 0.00 C ATOM 825 C SER A 52 1.990 -12.173 3.750 1.00 0.00 C ATOM 826 O SER A 52 1.907 -10.952 3.888 1.00 0.00 O ATOM 827 CB SER A 52 3.225 -13.319 1.903 1.00 0.00 C ATOM 828 OG SER A 52 4.158 -12.255 1.817 1.00 0.00 O ATOM 0 H SER A 52 1.138 -10.943 1.765 1.00 0.00 H new ATOM 0 HA SER A 52 1.174 -13.662 2.456 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.596 -14.077 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.124 -13.798 0.929 1.00 0.00 H new ATOM 0 HG SER A 52 5.023 -12.602 1.515 1.00 0.00 H new ATOM 834 N GLY A 53 2.188 -13.007 4.767 1.00 0.00 N ATOM 835 CA GLY A 53 2.321 -12.502 6.132 1.00 0.00 C ATOM 836 C GLY A 53 3.421 -11.457 6.279 1.00 0.00 C ATOM 837 O GLY A 53 3.500 -10.787 7.309 1.00 0.00 O ATOM 0 H GLY A 53 2.259 -14.020 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.372 -12.068 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.528 -13.336 6.803 1.00 0.00 H new ATOM 841 N ALA A 54 4.282 -11.309 5.261 1.00 0.00 N ATOM 842 CA ALA A 54 5.367 -10.336 5.324 1.00 0.00 C ATOM 843 C ALA A 54 4.868 -8.903 5.144 1.00 0.00 C ATOM 844 O ALA A 54 5.658 -7.960 5.155 1.00 0.00 O ATOM 845 CB ALA A 54 6.424 -10.659 4.278 1.00 0.00 C ATOM 0 H ALA A 54 4.244 -11.848 4.396 1.00 0.00 H new ATOM 0 HA ALA A 54 5.808 -10.405 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.228 -9.926 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.827 -11.655 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.975 -10.628 3.285 1.00 0.00 H new ATOM 851 N PHE A 55 3.559 -8.743 4.983 1.00 0.00 N ATOM 852 CA PHE A 55 2.972 -7.420 4.806 1.00 0.00 C ATOM 853 C PHE A 55 1.783 -7.216 5.735 1.00 0.00 C ATOM 854 O PHE A 55 1.158 -8.174 6.187 1.00 0.00 O ATOM 855 CB PHE A 55 2.524 -7.219 3.359 1.00 0.00 C ATOM 856 CG PHE A 55 3.619 -7.425 2.355 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.580 -6.452 2.166 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.680 -8.583 1.598 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.590 -6.623 1.241 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.689 -8.764 0.669 1.00 0.00 C ATOM 861 CZ PHE A 55 5.645 -7.783 0.491 1.00 0.00 C ATOM 0 H PHE A 55 2.887 -9.510 4.971 1.00 0.00 H new ATOM 0 HA PHE A 55 3.740 -6.686 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.709 -7.909 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.126 -6.210 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.541 -5.544 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.933 -9.351 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.335 -5.853 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.729 -9.671 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.434 -7.922 -0.233 1.00 0.00 H new ATOM 871 N GLU A 56 1.474 -5.954 6.003 1.00 0.00 N ATOM 872 CA GLU A 56 0.355 -5.604 6.865 1.00 0.00 C ATOM 873 C GLU A 56 -0.175 -4.218 6.516 1.00 0.00 C ATOM 874 O GLU A 56 0.577 -3.241 6.492 1.00 0.00 O ATOM 875 CB GLU A 56 0.779 -5.648 8.334 1.00 0.00 C ATOM 876 CG GLU A 56 1.547 -6.905 8.708 1.00 0.00 C ATOM 877 CD GLU A 56 1.905 -6.953 10.181 1.00 0.00 C ATOM 878 OE1 GLU A 56 1.026 -6.648 11.015 1.00 0.00 O ATOM 879 OE2 GLU A 56 3.062 -7.298 10.500 1.00 0.00 O ATOM 0 H GLU A 56 1.986 -5.153 5.633 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.440 -6.333 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.397 -4.777 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.109 -5.574 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.949 -7.781 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.459 -6.959 8.114 1.00 0.00 H new ATOM 886 N ILE A 57 -1.472 -4.141 6.236 1.00 0.00 N ATOM 887 CA ILE A 57 -2.100 -2.873 5.881 1.00 0.00 C ATOM 888 C ILE A 57 -2.488 -2.081 7.129 1.00 0.00 C ATOM 889 O ILE A 57 -3.496 -2.367 7.776 1.00 0.00 O ATOM 890 CB ILE A 57 -3.343 -3.087 4.987 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.840 -1.747 4.441 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.455 -3.801 5.748 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.513 -1.860 3.089 1.00 0.00 C ATOM 0 H ILE A 57 -2.107 -4.939 6.248 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.365 -2.300 5.316 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.052 -3.722 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.542 -1.311 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.997 -1.060 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.315 -3.937 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.098 -4.774 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.747 -3.203 6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.841 -0.873 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.808 -2.267 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.376 -2.522 3.166 1.00 0.00 H new ATOM 905 N LEU A 58 -1.675 -1.086 7.465 1.00 0.00 N ATOM 906 CA LEU A 58 -1.925 -0.254 8.636 1.00 0.00 C ATOM 907 C LEU A 58 -3.255 0.483 8.509 1.00 0.00 C ATOM 908 O LEU A 58 -3.851 0.529 7.434 1.00 0.00 O ATOM 909 CB LEU A 58 -0.782 0.748 8.826 1.00 0.00 C ATOM 910 CG LEU A 58 0.142 0.465 10.015 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.572 -0.996 10.027 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.358 1.378 9.969 1.00 0.00 C ATOM 0 H LEU A 58 -0.836 -0.836 6.942 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.978 -0.903 9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.182 0.767 7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.209 1.744 8.947 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.409 0.666 10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.228 -1.175 10.879 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.308 -1.634 10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.105 -1.226 9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.005 1.165 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.907 1.206 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.034 2.418 10.011 1.00 0.00 H new ATOM 924 N ALA A 59 -3.715 1.055 9.618 1.00 0.00 N ATOM 925 CA ALA A 59 -4.975 1.788 9.634 1.00 0.00 C ATOM 926 C ALA A 59 -4.892 3.046 8.777 1.00 0.00 C ATOM 927 O ALA A 59 -5.796 3.334 7.993 1.00 0.00 O ATOM 928 CB ALA A 59 -5.357 2.145 11.063 1.00 0.00 C ATOM 0 H ALA A 59 -3.233 1.025 10.517 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.746 1.144 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.300 2.692 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.468 1.232 11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.577 2.766 11.504 1.00 0.00 H new ATOM 934 N ASN A 60 -3.802 3.792 8.931 1.00 0.00 N ATOM 935 CA ASN A 60 -3.605 5.021 8.169 1.00 0.00 C ATOM 936 C ASN A 60 -3.682 4.756 6.667 1.00 0.00 C ATOM 937 O ASN A 60 -3.963 5.662 5.883 1.00 0.00 O ATOM 938 CB ASN A 60 -2.258 5.659 8.521 1.00 0.00 C ATOM 939 CG ASN A 60 -1.109 4.669 8.464 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.456 4.517 7.431 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.853 3.995 9.579 1.00 0.00 N ATOM 0 H ASN A 60 -3.043 3.568 9.575 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.405 5.711 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.059 6.481 7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.314 6.088 9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.089 3.319 9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.420 4.153 10.412 1.00 0.00 H new ATOM 948 N GLY A 61 -3.436 3.510 6.272 1.00 0.00 N ATOM 949 CA GLY A 61 -3.489 3.156 4.866 1.00 0.00 C ATOM 950 C GLY A 61 -2.112 3.045 4.241 1.00 0.00 C ATOM 951 O GLY A 61 -1.925 3.388 3.073 1.00 0.00 O ATOM 0 H GLY A 61 -3.201 2.741 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.013 2.207 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.069 3.906 4.328 1.00 0.00 H new ATOM 955 N ASP A 62 -1.146 2.567 5.018 1.00 0.00 N ATOM 956 CA ASP A 62 0.221 2.416 4.531 1.00 0.00 C ATOM 957 C ASP A 62 0.634 0.947 4.513 1.00 0.00 C ATOM 958 O ASP A 62 0.107 0.133 5.272 1.00 0.00 O ATOM 959 CB ASP A 62 1.185 3.225 5.400 1.00 0.00 C ATOM 960 CG ASP A 62 1.163 4.703 5.059 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.019 5.033 3.863 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.290 5.529 5.986 1.00 0.00 O ATOM 0 H ASP A 62 -1.284 2.278 5.986 1.00 0.00 H new ATOM 0 HA ASP A 62 0.262 2.795 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.923 3.092 6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.197 2.840 5.273 1.00 0.00 H new ATOM 967 N LEU A 63 1.585 0.617 3.645 1.00 0.00 N ATOM 968 CA LEU A 63 2.077 -0.762 3.529 1.00 0.00 C ATOM 969 C LEU A 63 3.143 -1.039 4.586 1.00 0.00 C ATOM 970 O LEU A 63 4.154 -0.338 4.655 1.00 0.00 O ATOM 971 CB LEU A 63 2.661 -0.989 2.135 1.00 0.00 C ATOM 972 CG LEU A 63 2.979 -2.441 1.784 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.719 -3.180 1.361 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.024 -2.492 0.680 1.00 0.00 C ATOM 0 H LEU A 63 2.033 1.279 3.011 1.00 0.00 H new ATOM 0 HA LEU A 63 1.242 -1.444 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.958 -0.601 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.575 -0.403 2.043 1.00 0.00 H new ATOM 0 HG LEU A 63 3.379 -2.934 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.968 -4.212 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.997 -3.165 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.288 -2.693 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.245 -3.531 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.642 -1.984 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.935 -1.997 1.018 1.00 0.00 H new ATOM 986 N LYS A 64 2.916 -2.057 5.412 1.00 0.00 N ATOM 987 CA LYS A 64 3.865 -2.407 6.462 1.00 0.00 C ATOM 988 C LYS A 64 4.663 -3.655 6.097 1.00 0.00 C ATOM 989 O LYS A 64 4.125 -4.764 6.082 1.00 0.00 O ATOM 990 CB LYS A 64 3.132 -2.627 7.785 1.00 0.00 C ATOM 991 CG LYS A 64 3.888 -2.103 8.996 1.00 0.00 C ATOM 992 CD LYS A 64 3.661 -2.979 10.217 1.00 0.00 C ATOM 993 CE LYS A 64 4.629 -2.635 11.337 1.00 0.00 C ATOM 994 NZ LYS A 64 5.075 -3.847 12.079 1.00 0.00 N ATOM 0 H LYS A 64 2.087 -2.651 5.374 1.00 0.00 H new ATOM 0 HA LYS A 64 4.563 -1.577 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.158 -2.139 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.948 -3.693 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.954 -2.061 8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.567 -1.084 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.637 -2.856 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.779 -4.027 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.498 -2.124 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.152 -1.941 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.734 -3.569 12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.249 -4.321 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.554 -4.498 11.424 1.00 0.00 H new ATOM 1008 N ILE A 65 5.950 -3.468 5.816 1.00 0.00 N ATOM 1009 CA ILE A 65 6.831 -4.579 5.467 1.00 0.00 C ATOM 1010 C ILE A 65 7.536 -5.098 6.719 1.00 0.00 C ATOM 1011 O ILE A 65 8.130 -4.324 7.469 1.00 0.00 O ATOM 1012 CB ILE A 65 7.884 -4.157 4.421 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.270 -3.175 3.412 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.450 -5.384 3.717 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.167 -2.863 2.231 1.00 0.00 C ATOM 0 H ILE A 65 6.407 -2.556 5.823 1.00 0.00 H new ATOM 0 HA ILE A 65 6.217 -5.369 5.034 1.00 0.00 H new ATOM 0 HB ILE A 65 8.704 -3.650 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.332 -3.589 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.028 -2.245 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.192 -5.072 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.920 -6.040 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.644 -5.919 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.662 -2.163 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.096 -2.418 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.389 -3.783 1.690 1.00 0.00 H new ATOM 1027 N LYS A 66 7.446 -6.404 6.959 1.00 0.00 N ATOM 1028 CA LYS A 66 8.056 -7.005 8.145 1.00 0.00 C ATOM 1029 C LYS A 66 9.522 -7.361 7.926 1.00 0.00 C ATOM 1030 O LYS A 66 10.342 -7.245 8.837 1.00 0.00 O ATOM 1031 CB LYS A 66 7.276 -8.254 8.564 1.00 0.00 C ATOM 1032 CG LYS A 66 7.815 -8.914 9.822 1.00 0.00 C ATOM 1033 CD LYS A 66 7.332 -10.350 9.947 1.00 0.00 C ATOM 1034 CE LYS A 66 8.379 -11.334 9.451 1.00 0.00 C ATOM 1035 NZ LYS A 66 9.351 -11.697 10.519 1.00 0.00 N ATOM 0 H LYS A 66 6.960 -7.064 6.352 1.00 0.00 H new ATOM 0 HA LYS A 66 8.015 -6.260 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.232 -7.984 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.297 -8.976 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.905 -8.895 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.499 -8.345 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.093 -10.565 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.412 -10.477 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.886 -12.236 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.914 -10.900 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.048 -12.370 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.840 -10.841 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.845 -12.135 11.315 1.00 0.00 H new ATOM 1049 N ASN A 67 9.843 -7.802 6.723 1.00 0.00 N ATOM 1050 CA ASN A 67 11.208 -8.188 6.389 1.00 0.00 C ATOM 1051 C ASN A 67 11.515 -7.882 4.929 1.00 0.00 C ATOM 1052 O ASN A 67 10.980 -8.525 4.025 1.00 0.00 O ATOM 1053 CB ASN A 67 11.411 -9.681 6.663 1.00 0.00 C ATOM 1054 CG ASN A 67 12.855 -10.109 6.510 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.308 -10.234 5.268 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 13.558 -10.327 7.497 1.00 0.00 N flip ATOM 0 H ASN A 67 9.177 -7.903 5.957 1.00 0.00 H new ATOM 0 HA ASN A 67 11.891 -7.611 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.073 -9.911 7.673 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.790 -10.260 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.169 -10.219 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.529 -10.616 7.378 1.00 0.00 H new ATOM 1063 N LEU A 68 12.374 -6.893 4.701 1.00 0.00 N ATOM 1064 CA LEU A 68 12.743 -6.503 3.353 1.00 0.00 C ATOM 1065 C LEU A 68 13.310 -7.676 2.570 1.00 0.00 C ATOM 1066 O LEU A 68 13.997 -8.537 3.123 1.00 0.00 O ATOM 1067 CB LEU A 68 13.751 -5.364 3.401 1.00 0.00 C ATOM 1068 CG LEU A 68 13.135 -3.999 3.671 1.00 0.00 C ATOM 1069 CD1 LEU A 68 14.073 -3.143 4.505 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.785 -3.308 2.366 1.00 0.00 C ATOM 0 H LEU A 68 12.826 -6.349 5.436 1.00 0.00 H new ATOM 0 HA LEU A 68 11.842 -6.166 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.488 -5.578 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.287 -5.327 2.453 1.00 0.00 H new ATOM 0 HG LEU A 68 12.215 -4.140 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.614 -2.171 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.266 -3.637 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.013 -3.006 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.345 -2.333 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.688 -3.178 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.070 -3.916 1.813 1.00 0.00 H new ATOM 1082 N THR A 69 13.013 -7.694 1.279 1.00 0.00 N ATOM 1083 CA THR A 69 13.480 -8.752 0.391 1.00 0.00 C ATOM 1084 C THR A 69 13.685 -8.221 -1.026 1.00 0.00 C ATOM 1085 O THR A 69 13.196 -7.144 -1.374 1.00 0.00 O ATOM 1086 CB THR A 69 12.483 -9.912 0.378 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.153 -9.431 0.306 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.587 -10.800 1.598 1.00 0.00 C ATOM 0 H THR A 69 12.446 -6.982 0.819 1.00 0.00 H new ATOM 0 HA THR A 69 14.438 -9.112 0.765 1.00 0.00 H new ATOM 0 HB THR A 69 12.735 -10.501 -0.504 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.531 -10.188 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.853 -11.603 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.588 -11.227 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.394 -10.211 2.494 1.00 0.00 H new ATOM 1096 N ARG A 70 14.413 -8.980 -1.839 1.00 0.00 N ATOM 1097 CA ARG A 70 14.691 -8.583 -3.222 1.00 0.00 C ATOM 1098 C ARG A 70 13.407 -8.199 -3.956 1.00 0.00 C ATOM 1099 O ARG A 70 13.297 -7.101 -4.500 1.00 0.00 O ATOM 1100 CB ARG A 70 15.400 -9.713 -3.980 1.00 0.00 C ATOM 1101 CG ARG A 70 16.403 -10.497 -3.142 1.00 0.00 C ATOM 1102 CD ARG A 70 15.862 -11.868 -2.764 1.00 0.00 C ATOM 1103 NE ARG A 70 16.904 -12.891 -2.775 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.922 -12.922 -1.917 1.00 0.00 C ATOM 1105 NH1 ARG A 70 18.036 -11.989 -0.979 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.826 -13.888 -1.996 1.00 0.00 N ATOM 0 H ARG A 70 14.823 -9.874 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 70 15.345 -7.712 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.649 -10.402 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 70 15.916 -9.289 -4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.333 -10.612 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 70 16.641 -9.936 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.413 -11.819 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.071 -12.149 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 70 16.849 -13.625 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 70 17.342 -11.244 -0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 70 18.817 -12.017 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.742 -14.608 -2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.606 -13.912 -1.339 1.00 0.00 H new ATOM 1120 N ASP A 71 12.443 -9.114 -3.971 1.00 0.00 N ATOM 1121 CA ASP A 71 11.168 -8.874 -4.641 1.00 0.00 C ATOM 1122 C ASP A 71 10.523 -7.570 -4.170 1.00 0.00 C ATOM 1123 O ASP A 71 9.700 -6.988 -4.876 1.00 0.00 O ATOM 1124 CB ASP A 71 10.213 -10.046 -4.397 1.00 0.00 C ATOM 1125 CG ASP A 71 8.883 -9.866 -5.103 1.00 0.00 C ATOM 1126 OD1 ASP A 71 8.889 -9.499 -6.297 1.00 0.00 O ATOM 1127 OD2 ASP A 71 7.834 -10.092 -4.462 1.00 0.00 O ATOM 0 H ASP A 71 12.520 -10.029 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 71 11.367 -8.785 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.681 -10.969 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.041 -10.154 -3.326 1.00 0.00 H new ATOM 1132 N ASP A 72 10.896 -7.117 -2.975 1.00 0.00 N ATOM 1133 CA ASP A 72 10.343 -5.885 -2.424 1.00 0.00 C ATOM 1134 C ASP A 72 11.018 -4.651 -3.024 1.00 0.00 C ATOM 1135 O ASP A 72 10.520 -3.534 -2.882 1.00 0.00 O ATOM 1136 CB ASP A 72 10.489 -5.873 -0.902 1.00 0.00 C ATOM 1137 CG ASP A 72 9.270 -5.302 -0.205 1.00 0.00 C ATOM 1138 OD1 ASP A 72 9.218 -4.069 -0.016 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.366 -6.087 0.150 1.00 0.00 O ATOM 0 H ASP A 72 11.575 -7.583 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 72 9.285 -5.850 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.662 -6.890 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.367 -5.287 -0.629 1.00 0.00 H new ATOM 1144 N SER A 73 12.149 -4.854 -3.695 1.00 0.00 N ATOM 1145 CA SER A 73 12.878 -3.750 -4.312 1.00 0.00 C ATOM 1146 C SER A 73 12.259 -3.379 -5.655 1.00 0.00 C ATOM 1147 O SER A 73 12.113 -4.227 -6.535 1.00 0.00 O ATOM 1148 CB SER A 73 14.348 -4.126 -4.503 1.00 0.00 C ATOM 1149 OG SER A 73 15.167 -2.971 -4.563 1.00 0.00 O ATOM 0 H SER A 73 12.579 -5.770 -3.825 1.00 0.00 H new ATOM 0 HA SER A 73 12.815 -2.887 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.673 -4.764 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.462 -4.705 -5.420 1.00 0.00 H new ATOM 0 HG SER A 73 16.102 -3.239 -4.684 1.00 0.00 H new ATOM 1155 N GLY A 74 11.896 -2.110 -5.809 1.00 0.00 N ATOM 1156 CA GLY A 74 11.300 -1.661 -7.040 1.00 0.00 C ATOM 1157 C GLY A 74 10.322 -0.524 -6.824 1.00 0.00 C ATOM 1158 O GLY A 74 10.281 0.082 -5.754 1.00 0.00 O ATOM 0 H GLY A 74 12.007 -1.388 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.084 -1.338 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.785 -2.495 -7.517 1.00 0.00 H new ATOM 1162 N THR A 75 9.542 -0.241 -7.850 1.00 0.00 N ATOM 1163 CA THR A 75 8.550 0.829 -7.811 1.00 0.00 C ATOM 1164 C THR A 75 7.183 0.298 -7.379 1.00 0.00 C ATOM 1165 O THR A 75 6.689 -0.688 -7.927 1.00 0.00 O ATOM 1166 CB THR A 75 8.444 1.451 -9.200 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.648 1.267 -9.924 1.00 0.00 O ATOM 1168 CG2 THR A 75 8.150 2.928 -9.177 1.00 0.00 C ATOM 0 H THR A 75 9.574 -0.744 -8.737 1.00 0.00 H new ATOM 0 HA THR A 75 8.866 1.577 -7.083 1.00 0.00 H new ATOM 0 HB THR A 75 7.609 0.940 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.560 1.671 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.089 3.303 -10.199 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.202 3.102 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.947 3.449 -8.647 1.00 0.00 H new ATOM 1176 N TYR A 76 6.571 0.967 -6.406 1.00 0.00 N ATOM 1177 CA TYR A 76 5.255 0.571 -5.915 1.00 0.00 C ATOM 1178 C TYR A 76 4.195 1.548 -6.413 1.00 0.00 C ATOM 1179 O TYR A 76 4.477 2.728 -6.613 1.00 0.00 O ATOM 1180 CB TYR A 76 5.245 0.520 -4.384 1.00 0.00 C ATOM 1181 CG TYR A 76 5.998 -0.659 -3.807 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.375 -0.767 -3.960 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.335 -1.664 -3.110 1.00 0.00 C ATOM 1184 CE1 TYR A 76 8.068 -1.841 -3.435 1.00 0.00 C ATOM 1185 CE2 TYR A 76 6.024 -2.740 -2.581 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.390 -2.824 -2.746 1.00 0.00 C ATOM 1187 OH TYR A 76 8.077 -3.895 -2.224 1.00 0.00 O ATOM 0 H TYR A 76 6.965 1.785 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 76 5.028 -0.425 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.679 1.441 -3.996 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.212 0.484 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.912 0.001 -4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.265 -1.603 -2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.138 -1.910 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.494 -3.511 -2.041 1.00 0.00 H new ATOM 0 HH TYR A 76 8.972 -3.607 -1.949 1.00 0.00 H new ATOM 1197 N ASN A 77 2.980 1.053 -6.628 1.00 0.00 N ATOM 1198 CA ASN A 77 1.895 1.895 -7.119 1.00 0.00 C ATOM 1199 C ASN A 77 0.618 1.697 -6.308 1.00 0.00 C ATOM 1200 O ASN A 77 0.140 0.570 -6.145 1.00 0.00 O ATOM 1201 CB ASN A 77 1.620 1.582 -8.591 1.00 0.00 C ATOM 1202 CG ASN A 77 2.419 2.461 -9.533 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.368 3.687 -9.449 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.163 1.835 -10.437 1.00 0.00 N ATOM 0 H ASN A 77 2.723 0.078 -6.471 1.00 0.00 H new ATOM 0 HA ASN A 77 2.206 2.934 -7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.857 0.536 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.557 1.711 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.723 2.373 -11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.175 0.816 -10.470 1.00 0.00 H new ATOM 1211 N VAL A 78 0.056 2.800 -5.815 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.179 2.740 -5.040 1.00 0.00 C ATOM 1213 C VAL A 78 -2.349 3.335 -5.819 1.00 0.00 C ATOM 1214 O VAL A 78 -2.255 4.447 -6.348 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.091 3.483 -3.686 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.907 2.739 -2.635 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.352 3.673 -3.221 1.00 0.00 C ATOM 0 H VAL A 78 0.434 3.739 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.338 1.679 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.507 4.481 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.842 3.266 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.949 2.689 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.515 1.729 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.360 4.199 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.827 2.699 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.899 4.256 -3.962 1.00 0.00 H new ATOM 1227 N THR A 79 -3.455 2.597 -5.861 1.00 0.00 N ATOM 1228 CA THR A 79 -4.660 3.049 -6.545 1.00 0.00 C ATOM 1229 C THR A 79 -5.791 3.203 -5.534 1.00 0.00 C ATOM 1230 O THR A 79 -6.430 2.227 -5.145 1.00 0.00 O ATOM 1231 CB THR A 79 -5.061 2.063 -7.646 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.059 1.078 -7.832 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.301 2.730 -8.983 1.00 0.00 C ATOM 0 H THR A 79 -3.540 1.678 -5.426 1.00 0.00 H new ATOM 0 HA THR A 79 -4.460 4.013 -7.012 1.00 0.00 H new ATOM 0 HB THR A 79 -5.994 1.614 -7.305 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.454 0.284 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.582 1.977 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.104 3.460 -8.886 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.390 3.233 -9.307 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.014 4.437 -5.097 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.048 4.724 -4.109 1.00 0.00 C ATOM 1243 C VAL A 80 -8.375 5.083 -4.771 1.00 0.00 C ATOM 1244 O VAL A 80 -8.453 6.021 -5.564 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.609 5.879 -3.176 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.721 6.259 -2.209 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.342 5.508 -2.412 1.00 0.00 C ATOM 0 H VAL A 80 -5.493 5.255 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.190 3.817 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.394 6.745 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.383 7.072 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.598 6.581 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.980 5.396 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.053 6.335 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.528 4.620 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.538 5.303 -3.119 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.421 4.333 -4.428 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.748 4.576 -4.976 1.00 0.00 C ATOM 1259 C TYR A 81 -11.729 4.958 -3.880 1.00 0.00 C ATOM 1260 O TYR A 81 -11.584 4.556 -2.721 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.275 3.351 -5.703 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.457 2.948 -6.909 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.666 3.549 -8.145 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.479 1.965 -6.816 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.924 3.181 -9.252 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.734 1.594 -7.918 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.960 2.203 -9.132 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.219 1.836 -10.232 1.00 0.00 O ATOM 0 H TYR A 81 -9.372 3.553 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.655 5.401 -5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.309 2.515 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.300 3.543 -6.021 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.420 4.316 -8.242 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.299 1.483 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.099 3.657 -10.206 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.977 0.829 -7.828 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.582 1.135 -9.979 1.00 0.00 H new ATOM 1278 N SER A 82 -12.732 5.727 -4.274 1.00 0.00 N ATOM 1279 CA SER A 82 -13.770 6.194 -3.362 1.00 0.00 C ATOM 1280 C SER A 82 -14.939 5.219 -3.299 1.00 0.00 C ATOM 1281 O SER A 82 -14.994 4.244 -4.050 1.00 0.00 O ATOM 1282 CB SER A 82 -14.267 7.575 -3.790 1.00 0.00 C ATOM 1283 OG SER A 82 -13.680 7.976 -5.017 1.00 0.00 O ATOM 0 H SER A 82 -12.851 6.046 -5.235 1.00 0.00 H new ATOM 0 HA SER A 82 -13.331 6.260 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.352 7.558 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.031 8.305 -3.016 1.00 0.00 H new ATOM 0 HG SER A 82 -13.751 8.949 -5.111 1.00 0.00 H new ATOM 1289 N THR A 83 -15.872 5.495 -2.396 1.00 0.00 N ATOM 1290 CA THR A 83 -17.053 4.654 -2.223 1.00 0.00 C ATOM 1291 C THR A 83 -17.840 4.532 -3.527 1.00 0.00 C ATOM 1292 O THR A 83 -18.576 3.566 -3.727 1.00 0.00 O ATOM 1293 CB THR A 83 -17.955 5.221 -1.124 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.201 6.600 -1.338 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.377 5.065 0.267 1.00 0.00 C ATOM 0 H THR A 83 -15.834 6.298 -1.769 1.00 0.00 H new ATOM 0 HA THR A 83 -16.714 3.660 -1.932 1.00 0.00 H new ATOM 0 HB THR A 83 -18.877 4.643 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.781 6.943 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.067 5.488 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.225 4.007 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.422 5.588 0.325 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.684 5.516 -4.407 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.384 5.514 -5.686 1.00 0.00 C ATOM 1305 C ASN A 84 -17.504 4.944 -6.795 1.00 0.00 C ATOM 1306 O ASN A 84 -17.663 5.290 -7.966 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.827 6.932 -6.051 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.783 7.519 -5.031 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -19.485 8.527 -4.392 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.941 6.888 -4.874 1.00 0.00 N ATOM 0 H ASN A 84 -17.080 6.324 -4.258 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.263 4.878 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.950 7.574 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.307 6.919 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.625 7.236 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.147 6.055 -5.425 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.576 4.068 -6.422 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.687 3.464 -7.399 1.00 0.00 C ATOM 1319 C GLY A 85 -14.963 4.493 -8.246 1.00 0.00 C ATOM 1320 O GLY A 85 -14.553 4.204 -9.370 1.00 0.00 O ATOM 0 H GLY A 85 -16.423 3.765 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.954 2.844 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.262 2.804 -8.049 1.00 0.00 H new ATOM 1324 N THR A 86 -14.803 5.698 -7.706 1.00 0.00 N ATOM 1325 CA THR A 86 -14.125 6.771 -8.422 1.00 0.00 C ATOM 1326 C THR A 86 -12.640 6.802 -8.073 1.00 0.00 C ATOM 1327 O THR A 86 -12.254 6.533 -6.935 1.00 0.00 O ATOM 1328 CB THR A 86 -14.766 8.119 -8.091 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.123 7.950 -7.718 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.725 9.100 -9.241 1.00 0.00 C ATOM 0 H THR A 86 -15.134 5.954 -6.776 1.00 0.00 H new ATOM 0 HA THR A 86 -14.226 6.582 -9.491 1.00 0.00 H new ATOM 0 HB THR A 86 -14.177 8.525 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.516 8.823 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.196 10.035 -8.939 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.689 9.290 -9.521 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.260 8.683 -10.094 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.813 7.133 -9.058 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.370 7.200 -8.854 1.00 0.00 C ATOM 1340 C ARG A 87 -10.007 8.385 -7.964 1.00 0.00 C ATOM 1341 O ARG A 87 -10.073 9.537 -8.392 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.639 7.313 -10.196 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.269 6.492 -11.313 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.290 5.475 -11.880 1.00 0.00 C ATOM 1345 NE ARG A 87 -9.948 4.516 -12.763 1.00 0.00 N ATOM 1346 CZ ARG A 87 -10.293 4.780 -14.021 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -10.045 5.973 -14.547 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -10.888 3.849 -14.754 1.00 0.00 N ATOM 0 H ARG A 87 -12.116 7.359 -10.005 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.057 6.280 -8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.614 8.360 -10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.605 6.995 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.151 5.976 -10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.606 7.157 -12.109 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.505 5.995 -12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.806 4.942 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.156 3.588 -12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.588 6.692 -13.987 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.311 6.170 -15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.081 2.931 -14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.153 4.051 -15.718 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.629 8.095 -6.724 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.262 9.139 -5.775 1.00 0.00 C ATOM 1364 C ILE A 88 -7.829 9.610 -5.994 1.00 0.00 C ATOM 1365 O ILE A 88 -7.596 10.737 -6.431 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.416 8.662 -4.317 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.849 8.182 -4.064 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.041 9.776 -3.345 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.112 7.785 -2.626 1.00 0.00 C ATOM 0 H ILE A 88 -9.569 7.147 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.945 9.970 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.737 7.825 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.543 8.974 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.057 7.330 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.156 9.420 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.005 10.071 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.693 10.634 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.146 7.456 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.443 6.972 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.937 8.641 -1.974 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.867 8.749 -5.673 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.460 9.098 -5.824 1.00 0.00 C ATOM 1383 C LEU A 89 -4.631 7.916 -6.319 1.00 0.00 C ATOM 1384 O LEU A 89 -4.680 6.823 -5.756 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.903 9.605 -4.489 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.374 9.661 -4.390 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.934 10.873 -3.584 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.828 8.378 -3.773 1.00 0.00 C ATOM 0 H LEU A 89 -7.035 7.811 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.392 9.886 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.298 10.604 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.278 8.963 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.969 9.755 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.846 10.895 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.290 11.782 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.351 10.812 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.741 8.438 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.242 8.251 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.110 7.527 -4.393 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.847 8.165 -7.362 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.968 7.153 -7.935 1.00 0.00 C ATOM 1402 C ASN A 90 -1.523 7.601 -7.764 1.00 0.00 C ATOM 1403 O ASN A 90 -1.076 8.540 -8.422 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.289 6.936 -9.416 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.417 5.467 -9.770 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.303 5.076 -10.529 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.530 4.646 -9.220 1.00 0.00 N ATOM 0 H ASN A 90 -3.803 9.069 -7.832 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.121 6.206 -7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.219 7.449 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.505 7.387 -10.025 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.566 3.647 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.812 5.015 -8.596 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.803 6.954 -6.854 1.00 0.00 N ATOM 1415 CA LYS A 91 0.583 7.334 -6.585 1.00 0.00 C ATOM 1416 C LYS A 91 1.570 6.216 -6.898 1.00 0.00 C ATOM 1417 O LYS A 91 1.214 5.039 -6.940 1.00 0.00 O ATOM 1418 CB LYS A 91 0.739 7.758 -5.122 1.00 0.00 C ATOM 1419 CG LYS A 91 -0.065 8.993 -4.755 1.00 0.00 C ATOM 1420 CD LYS A 91 0.752 10.262 -4.931 1.00 0.00 C ATOM 1421 CE LYS A 91 0.529 10.883 -6.300 1.00 0.00 C ATOM 1422 NZ LYS A 91 1.736 11.606 -6.786 1.00 0.00 N ATOM 0 H LYS A 91 -1.148 6.174 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 91 0.814 8.170 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.434 6.932 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.793 7.948 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.958 9.045 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.401 8.916 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.482 10.980 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.810 10.036 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.262 10.103 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.313 11.574 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.542 12.015 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.977 12.367 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.533 10.942 -6.856 1.00 0.00 H new ATOM 1436 N ALA A 92 2.823 6.613 -7.103 1.00 0.00 N ATOM 1437 CA ALA A 92 3.901 5.682 -7.401 1.00 0.00 C ATOM 1438 C ALA A 92 5.159 6.071 -6.631 1.00 0.00 C ATOM 1439 O ALA A 92 5.652 7.192 -6.759 1.00 0.00 O ATOM 1440 CB ALA A 92 4.181 5.663 -8.893 1.00 0.00 C ATOM 0 H ALA A 92 3.117 7.589 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 92 3.597 4.682 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.989 4.963 -9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.284 5.352 -9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.471 6.661 -9.221 1.00 0.00 H new ATOM 1446 N LEU A 93 5.669 5.150 -5.821 1.00 0.00 N ATOM 1447 CA LEU A 93 6.862 5.417 -5.023 1.00 0.00 C ATOM 1448 C LEU A 93 7.985 4.440 -5.352 1.00 0.00 C ATOM 1449 O LEU A 93 7.754 3.384 -5.941 1.00 0.00 O ATOM 1450 CB LEU A 93 6.532 5.337 -3.529 1.00 0.00 C ATOM 1451 CG LEU A 93 5.137 5.833 -3.141 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.083 4.799 -3.503 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.083 6.152 -1.655 1.00 0.00 C ATOM 0 H LEU A 93 5.278 4.216 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 93 7.202 6.423 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.634 4.301 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.272 5.917 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 93 4.927 6.746 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.098 5.169 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.107 4.616 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.288 3.869 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.085 6.504 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.313 5.254 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.813 6.927 -1.423 1.00 0.00 H new ATOM 1465 N ASP A 94 9.203 4.799 -4.956 1.00 0.00 N ATOM 1466 CA ASP A 94 10.368 3.957 -5.193 1.00 0.00 C ATOM 1467 C ASP A 94 10.872 3.368 -3.880 1.00 0.00 C ATOM 1468 O ASP A 94 10.940 4.059 -2.864 1.00 0.00 O ATOM 1469 CB ASP A 94 11.480 4.762 -5.868 1.00 0.00 C ATOM 1470 CG ASP A 94 11.354 4.766 -7.379 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.284 5.168 -7.885 1.00 0.00 O ATOM 1472 OD2 ASP A 94 12.324 4.369 -8.058 1.00 0.00 O ATOM 0 H ASP A 94 9.408 5.671 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 94 10.075 3.142 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.456 5.788 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.448 4.346 -5.588 1.00 0.00 H new ATOM 1477 N LEU A 95 11.214 2.086 -3.903 1.00 0.00 N ATOM 1478 CA LEU A 95 11.696 1.412 -2.705 1.00 0.00 C ATOM 1479 C LEU A 95 12.973 0.619 -2.990 1.00 0.00 C ATOM 1480 O LEU A 95 12.916 -0.486 -3.534 1.00 0.00 O ATOM 1481 CB LEU A 95 10.614 0.470 -2.166 1.00 0.00 C ATOM 1482 CG LEU A 95 10.372 0.545 -0.658 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.240 -0.379 -0.250 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.638 0.196 0.105 1.00 0.00 C ATOM 0 H LEU A 95 11.167 1.495 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 95 11.926 2.173 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.677 0.689 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.886 -0.554 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 95 10.089 1.568 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.084 -0.310 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.327 -0.086 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.494 -1.405 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.445 0.255 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.950 -0.816 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.428 0.898 -0.161 1.00 0.00 H new ATOM 1496 N ARG A 96 14.121 1.184 -2.618 1.00 0.00 N ATOM 1497 CA ARG A 96 15.404 0.516 -2.832 1.00 0.00 C ATOM 1498 C ARG A 96 15.807 -0.299 -1.604 1.00 0.00 C ATOM 1499 O ARG A 96 15.887 0.227 -0.488 1.00 0.00 O ATOM 1500 CB ARG A 96 16.511 1.519 -3.186 1.00 0.00 C ATOM 1501 CG ARG A 96 16.001 2.881 -3.633 1.00 0.00 C ATOM 1502 CD ARG A 96 15.154 2.770 -4.893 1.00 0.00 C ATOM 1503 NE ARG A 96 15.743 1.861 -5.876 1.00 0.00 N ATOM 1504 CZ ARG A 96 15.050 1.262 -6.842 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.746 1.476 -6.966 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.665 0.450 -7.691 1.00 0.00 N ATOM 0 H ARG A 96 14.189 2.098 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 96 15.278 -0.161 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.156 1.652 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.128 1.097 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.411 3.330 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.846 3.545 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.156 2.419 -4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.037 3.758 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 96 16.744 1.675 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.268 2.103 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.222 1.014 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.668 0.285 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.135 -0.010 -8.432 1.00 0.00 H new ATOM 1520 N ILE A 97 16.048 -1.588 -1.822 1.00 0.00 N ATOM 1521 CA ILE A 97 16.430 -2.494 -0.745 1.00 0.00 C ATOM 1522 C ILE A 97 17.905 -2.866 -0.814 1.00 0.00 C ATOM 1523 O ILE A 97 18.312 -3.689 -1.634 1.00 0.00 O ATOM 1524 CB ILE A 97 15.597 -3.791 -0.781 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.158 -3.500 -1.213 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.618 -4.469 0.579 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.485 -2.424 -0.390 1.00 0.00 C ATOM 0 H ILE A 97 15.985 -2.030 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 97 16.238 -1.959 0.185 1.00 0.00 H new ATOM 0 HB ILE A 97 16.042 -4.465 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.156 -3.199 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.574 -4.418 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.026 -5.383 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.646 -4.714 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.198 -3.797 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.469 -2.271 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.455 -2.731 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.046 -1.494 -0.479 1.00 0.00 H new ATOM 1539 N LEU A 98 18.702 -2.263 0.061 1.00 0.00 N ATOM 1540 CA LEU A 98 20.117 -2.529 0.119 1.00 0.00 C ATOM 1541 C LEU A 98 20.376 -3.953 0.600 1.00 0.00 C ATOM 1542 O LEU A 98 19.975 -4.333 1.703 1.00 0.00 O ATOM 1543 CB LEU A 98 20.768 -1.523 1.061 1.00 0.00 C ATOM 1544 CG LEU A 98 21.371 -0.299 0.377 1.00 0.00 C ATOM 1545 CD1 LEU A 98 21.832 0.717 1.411 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.525 -0.705 -0.527 1.00 0.00 C ATOM 0 H LEU A 98 18.377 -1.579 0.745 1.00 0.00 H new ATOM 0 HA LEU A 98 20.547 -2.430 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.023 -1.188 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.552 -2.029 1.624 1.00 0.00 H new ATOM 0 HG LEU A 98 20.601 0.164 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.259 1.583 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 98 20.981 1.033 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.586 0.264 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.942 0.181 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.298 -1.194 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.164 -1.394 -1.291 1.00 0.00 H new