USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 75 ASN : amide:sc= -4.05! C(o=-7.8!,f=-8.8!) USER MOD Set 1.2: A 76 SER OG : rot -17:sc= 0.354 USER MOD Set 1.3: A 78 ASN : amide:sc= -4.11! C(o=-7.8!,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc=-0.00788 (180deg=-0.136) USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -3.96! (180deg=-5.03!) USER MOD Single : A 22 MET CE :methyl 148:sc= -1.14 (180deg=-2.83!) USER MOD Single : A 24 SER OG : rot 95:sc= -2.82! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -5.58! C(o=-5.6!,f=-7!) USER MOD Single : A 28 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 37 SER OG : rot -79:sc= -0.677 USER MOD Single : A 39 SER OG : rot -47:sc= 0.728 USER MOD Single : A 45 SER OG : rot 170:sc= -2.29! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -1.16! (180deg=-1.29!) USER MOD Single : A 52 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.017) USER MOD Single : A 55 GLN : amide:sc= -13.6! C(o=-14!,f=-12!) USER MOD Single : A 56 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.051) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0506) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= -4.16! (180deg=-8.28!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 99:sc= 1.22 USER MOD Single : A 84 HIS : no HE2:sc= -5.37! C(o=-5.4!,f=-10!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.226 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 9.291 3.973 8.196 1.00 0.00 N ATOM 115 CA PRO A 8 7.906 3.514 8.161 1.00 0.00 C ATOM 116 C PRO A 8 7.496 2.844 6.833 1.00 0.00 C ATOM 117 O PRO A 8 8.090 1.863 6.403 1.00 0.00 O ATOM 118 CB PRO A 8 7.094 4.780 8.480 1.00 0.00 C ATOM 119 CG PRO A 8 8.056 5.671 9.264 1.00 0.00 C ATOM 120 CD PRO A 8 9.429 5.343 8.679 1.00 0.00 C ATOM 0 HA PRO A 8 7.729 2.712 8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.753 5.271 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.206 4.544 9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.812 6.726 9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.016 5.457 10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.692 6.026 7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.213 5.423 9.432 1.00 0.00 H new ATOM 128 N TRP A 9 6.447 3.423 6.220 1.00 0.00 N ATOM 129 CA TRP A 9 5.952 2.859 4.968 1.00 0.00 C ATOM 130 C TRP A 9 5.092 3.871 4.190 1.00 0.00 C ATOM 131 O TRP A 9 4.176 3.502 3.463 1.00 0.00 O ATOM 132 CB TRP A 9 5.200 1.525 5.169 1.00 0.00 C ATOM 133 CG TRP A 9 4.330 1.488 6.413 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.599 0.719 7.552 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.101 2.199 6.676 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.634 0.907 8.486 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.684 1.801 8.019 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.319 3.115 5.933 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.498 2.328 8.584 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.108 3.655 6.505 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.699 3.261 7.831 1.00 0.00 C ATOM 0 H TRP A 9 5.949 4.246 6.559 1.00 0.00 H new ATOM 0 HA TRP A 9 6.833 2.634 4.367 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.576 1.337 4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.927 0.714 5.222 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.453 0.069 7.670 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.611 0.455 9.400 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.627 3.409 4.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.193 2.032 9.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.509 4.354 5.940 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.206 3.665 8.259 1.00 0.00 H new ATOM 152 N PHE A 10 5.452 5.158 4.368 1.00 0.00 N ATOM 153 CA PHE A 10 4.728 6.193 3.655 1.00 0.00 C ATOM 154 C PHE A 10 5.558 6.690 2.467 1.00 0.00 C ATOM 155 O PHE A 10 6.659 7.205 2.623 1.00 0.00 O ATOM 156 CB PHE A 10 4.445 7.367 4.594 1.00 0.00 C ATOM 157 CG PHE A 10 3.578 6.965 5.750 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.171 6.480 6.969 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.144 7.071 5.652 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.340 6.104 8.082 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.310 6.697 6.763 1.00 0.00 C ATOM 162 CZ PHE A 10 1.910 6.213 7.979 1.00 0.00 C ATOM 0 H PHE A 10 6.206 5.482 4.973 1.00 0.00 H new ATOM 0 HA PHE A 10 3.788 5.777 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.387 7.767 4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.958 8.168 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.245 6.398 7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.693 7.433 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.790 5.740 8.994 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.236 6.779 6.685 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.286 5.932 8.814 1.00 0.00 H new ATOM 172 N PHE A 11 4.947 6.520 1.280 1.00 0.00 N ATOM 173 CA PHE A 11 5.578 7.083 0.102 1.00 0.00 C ATOM 174 C PHE A 11 4.755 8.286 -0.370 1.00 0.00 C ATOM 175 O PHE A 11 3.649 8.157 -0.880 1.00 0.00 O ATOM 176 CB PHE A 11 5.709 6.019 -0.993 1.00 0.00 C ATOM 177 CG PHE A 11 6.739 4.989 -0.629 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.574 4.165 0.543 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.908 4.820 -1.453 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.568 3.183 0.887 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.904 3.839 -1.111 1.00 0.00 C ATOM 182 CZ PHE A 11 8.733 3.022 0.060 1.00 0.00 C ATOM 0 H PHE A 11 4.068 6.025 1.126 1.00 0.00 H new ATOM 0 HA PHE A 11 6.586 7.421 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.745 5.534 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.983 6.494 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.700 4.286 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.038 5.433 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.439 2.568 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.778 3.717 -1.733 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.481 2.287 0.319 1.00 0.00 H new ATOM 192 N GLY A 12 5.394 9.450 -0.134 1.00 0.00 N ATOM 193 CA GLY A 12 4.794 10.752 -0.389 1.00 0.00 C ATOM 194 C GLY A 12 3.571 10.678 -1.306 1.00 0.00 C ATOM 195 O GLY A 12 2.516 10.173 -0.943 1.00 0.00 O ATOM 0 H GLY A 12 6.342 9.501 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.503 11.204 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.540 11.408 -0.839 1.00 0.00 H new ATOM 199 N LYS A 13 3.783 11.238 -2.510 1.00 0.00 N ATOM 200 CA LYS A 13 2.697 11.204 -3.473 1.00 0.00 C ATOM 201 C LYS A 13 3.105 10.366 -4.689 1.00 0.00 C ATOM 202 O LYS A 13 2.863 10.731 -5.833 1.00 0.00 O ATOM 203 CB LYS A 13 2.340 12.625 -3.906 1.00 0.00 C ATOM 204 CG LYS A 13 3.516 13.330 -4.582 1.00 0.00 C ATOM 205 CD LYS A 13 3.144 14.742 -5.037 1.00 0.00 C ATOM 206 CE LYS A 13 2.070 14.726 -6.125 1.00 0.00 C ATOM 207 NZ LYS A 13 2.532 14.091 -7.353 1.00 0.00 N ATOM 0 H LYS A 13 4.644 11.690 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 13 1.822 10.748 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.494 12.593 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.024 13.200 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.357 13.380 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.845 12.746 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.786 15.316 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.033 15.249 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.190 14.199 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.761 15.749 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.838 14.253 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.448 14.498 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.640 13.069 -7.196 1.00 0.00 H new ATOM 221 N ILE A 14 3.743 9.227 -4.362 1.00 0.00 N ATOM 222 CA ILE A 14 4.206 8.375 -5.437 1.00 0.00 C ATOM 223 C ILE A 14 3.035 8.073 -6.387 1.00 0.00 C ATOM 224 O ILE A 14 2.069 7.419 -6.013 1.00 0.00 O ATOM 225 CB ILE A 14 4.783 7.085 -4.846 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.520 6.276 -5.911 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.702 6.236 -4.177 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.767 7.008 -6.403 1.00 0.00 C ATOM 0 H ILE A 14 3.935 8.901 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 14 4.990 8.876 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 14 5.499 7.374 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.803 5.306 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.853 6.085 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.151 5.330 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.239 6.805 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.944 5.967 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.268 6.405 -7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.480 7.967 -6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.445 7.176 -5.566 1.00 0.00 H new ATOM 240 N PRO A 15 3.156 8.578 -7.638 1.00 0.00 N ATOM 241 CA PRO A 15 2.155 8.324 -8.662 1.00 0.00 C ATOM 242 C PRO A 15 1.825 6.836 -8.779 1.00 0.00 C ATOM 243 O PRO A 15 2.703 5.999 -8.939 1.00 0.00 O ATOM 244 CB PRO A 15 2.792 8.847 -9.951 1.00 0.00 C ATOM 245 CG PRO A 15 3.841 9.864 -9.491 1.00 0.00 C ATOM 246 CD PRO A 15 4.274 9.387 -8.102 1.00 0.00 C ATOM 0 HA PRO A 15 1.207 8.811 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.250 8.039 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.048 9.312 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.686 9.897 -10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.424 10.870 -9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.194 8.805 -8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.463 10.227 -7.433 1.00 0.00 H new ATOM 254 N ARG A 16 0.510 6.570 -8.664 1.00 0.00 N ATOM 255 CA ARG A 16 0.048 5.193 -8.709 1.00 0.00 C ATOM 256 C ARG A 16 0.895 4.347 -9.670 1.00 0.00 C ATOM 257 O ARG A 16 1.201 3.191 -9.409 1.00 0.00 O ATOM 258 CB ARG A 16 -1.417 5.171 -9.145 1.00 0.00 C ATOM 259 CG ARG A 16 -1.612 5.735 -10.553 1.00 0.00 C ATOM 260 CD ARG A 16 -3.087 5.756 -10.957 1.00 0.00 C ATOM 261 NE ARG A 16 -3.847 6.572 -10.029 1.00 0.00 N ATOM 262 CZ ARG A 16 -5.179 6.391 -9.947 1.00 0.00 C ATOM 263 NH1 ARG A 16 -5.780 5.479 -10.708 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.897 7.126 -9.104 1.00 0.00 N ATOM 0 H ARG A 16 -0.220 7.272 -8.544 1.00 0.00 H new ATOM 0 HA ARG A 16 0.148 4.761 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.788 4.147 -9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.013 5.749 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.208 6.746 -10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.048 5.134 -11.267 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.189 6.150 -11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.483 4.741 -10.969 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.381 7.270 -9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.231 4.914 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.789 5.345 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.439 7.826 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.906 6.990 -9.041 1.00 0.00 H new ATOM 278 N ALA A 17 1.261 5.007 -10.784 1.00 0.00 N ATOM 279 CA ALA A 17 2.099 4.317 -11.746 1.00 0.00 C ATOM 280 C ALA A 17 3.501 4.118 -11.162 1.00 0.00 C ATOM 281 O ALA A 17 3.970 3.004 -10.967 1.00 0.00 O ATOM 282 CB ALA A 17 2.177 5.128 -13.040 1.00 0.00 C ATOM 0 H ALA A 17 1.001 5.964 -11.022 1.00 0.00 H new ATOM 0 HA ALA A 17 1.666 3.341 -11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.808 4.606 -13.759 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.176 5.248 -13.455 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.603 6.109 -12.829 1.00 0.00 H new ATOM 288 N LYS A 18 4.130 5.280 -10.900 1.00 0.00 N ATOM 289 CA LYS A 18 5.475 5.264 -10.348 1.00 0.00 C ATOM 290 C LYS A 18 5.617 4.125 -9.331 1.00 0.00 C ATOM 291 O LYS A 18 6.593 3.386 -9.313 1.00 0.00 O ATOM 292 CB LYS A 18 5.741 6.605 -9.656 1.00 0.00 C ATOM 293 CG LYS A 18 7.209 7.037 -9.693 1.00 0.00 C ATOM 294 CD LYS A 18 8.183 5.937 -9.271 1.00 0.00 C ATOM 295 CE LYS A 18 8.864 5.301 -10.484 1.00 0.00 C ATOM 296 NZ LYS A 18 9.767 4.218 -10.119 1.00 0.00 N ATOM 0 H LYS A 18 3.735 6.207 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 18 6.195 5.107 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.133 7.375 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.417 6.538 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.458 7.363 -10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.342 7.899 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.938 6.353 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.649 5.171 -8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.103 4.920 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.421 6.066 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.882 3.574 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.693 4.612 -9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.372 3.693 -9.313 1.00 0.00 H new ATOM 310 N ALA A 19 4.566 4.042 -8.492 1.00 0.00 N ATOM 311 CA ALA A 19 4.554 3.002 -7.481 1.00 0.00 C ATOM 312 C ALA A 19 4.754 1.641 -8.148 1.00 0.00 C ATOM 313 O ALA A 19 5.702 0.917 -7.873 1.00 0.00 O ATOM 314 CB ALA A 19 3.219 3.028 -6.735 1.00 0.00 C ATOM 0 H ALA A 19 3.754 4.659 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 19 5.362 3.174 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.211 2.246 -5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.088 3.999 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.405 2.857 -7.440 1.00 0.00 H new ATOM 320 N GLU A 20 3.795 1.355 -9.046 1.00 0.00 N ATOM 321 CA GLU A 20 3.891 0.108 -9.781 1.00 0.00 C ATOM 322 C GLU A 20 5.333 -0.126 -10.243 1.00 0.00 C ATOM 323 O GLU A 20 5.869 -1.224 -10.160 1.00 0.00 O ATOM 324 CB GLU A 20 2.978 0.164 -11.005 1.00 0.00 C ATOM 325 CG GLU A 20 1.501 0.237 -10.617 1.00 0.00 C ATOM 326 CD GLU A 20 0.635 0.303 -11.877 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.100 0.838 -12.882 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.493 -0.187 -11.840 1.00 0.00 O ATOM 0 H GLU A 20 2.990 1.942 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 20 3.586 -0.709 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.237 1.033 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.147 -0.717 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.228 -0.635 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.322 1.114 -9.996 1.00 0.00 H new ATOM 335 N GLU A 21 5.908 0.979 -10.744 1.00 0.00 N ATOM 336 CA GLU A 21 7.236 0.876 -11.313 1.00 0.00 C ATOM 337 C GLU A 21 8.236 0.397 -10.255 1.00 0.00 C ATOM 338 O GLU A 21 8.516 -0.789 -10.128 1.00 0.00 O ATOM 339 CB GLU A 21 7.635 2.233 -11.886 1.00 0.00 C ATOM 340 CG GLU A 21 6.572 2.747 -12.858 1.00 0.00 C ATOM 341 CD GLU A 21 7.059 4.029 -13.536 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.263 4.157 -13.754 1.00 0.00 O ATOM 343 OE2 GLU A 21 6.229 4.886 -13.835 1.00 0.00 O ATOM 0 H GLU A 21 5.488 1.908 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 21 7.239 0.140 -12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.770 2.949 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.593 2.148 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.357 1.987 -13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.641 2.939 -12.324 1.00 0.00 H new ATOM 350 N MET A 22 8.763 1.394 -9.521 1.00 0.00 N ATOM 351 CA MET A 22 9.757 1.044 -8.521 1.00 0.00 C ATOM 352 C MET A 22 9.331 -0.207 -7.745 1.00 0.00 C ATOM 353 O MET A 22 10.137 -1.076 -7.436 1.00 0.00 O ATOM 354 CB MET A 22 9.965 2.212 -7.554 1.00 0.00 C ATOM 355 CG MET A 22 8.695 2.553 -6.772 1.00 0.00 C ATOM 356 SD MET A 22 8.947 3.983 -5.709 1.00 0.00 S ATOM 357 CE MET A 22 9.464 3.103 -4.226 1.00 0.00 C ATOM 0 H MET A 22 8.530 2.384 -9.599 1.00 0.00 H new ATOM 0 HA MET A 22 10.696 0.831 -9.032 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.764 1.964 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.291 3.089 -8.113 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.880 2.753 -7.467 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.396 1.696 -6.168 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.175 3.714 -3.670 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.594 2.900 -3.601 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.936 2.162 -4.507 1.00 0.00 H new ATOM 367 N LEU A 23 8.018 -0.237 -7.450 1.00 0.00 N ATOM 368 CA LEU A 23 7.535 -1.340 -6.642 1.00 0.00 C ATOM 369 C LEU A 23 7.692 -2.677 -7.380 1.00 0.00 C ATOM 370 O LEU A 23 8.007 -3.699 -6.783 1.00 0.00 O ATOM 371 CB LEU A 23 6.074 -1.101 -6.264 1.00 0.00 C ATOM 372 CG LEU A 23 5.566 -2.126 -5.247 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.408 -2.093 -3.971 1.00 0.00 C ATOM 374 CD2 LEU A 23 4.097 -1.863 -4.920 1.00 0.00 C ATOM 0 H LEU A 23 7.322 0.448 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 23 8.134 -1.393 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.966 -0.098 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.456 -1.145 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 23 5.657 -3.118 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.027 -2.830 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.445 -2.325 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.353 -1.100 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.748 -2.599 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.991 -0.863 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.502 -1.940 -5.830 1.00 0.00 H new ATOM 386 N SER A 24 7.469 -2.607 -8.706 1.00 0.00 N ATOM 387 CA SER A 24 7.662 -3.823 -9.482 1.00 0.00 C ATOM 388 C SER A 24 9.156 -4.163 -9.644 1.00 0.00 C ATOM 389 O SER A 24 9.563 -4.782 -10.620 1.00 0.00 O ATOM 390 CB SER A 24 7.014 -3.671 -10.858 1.00 0.00 C ATOM 391 OG SER A 24 5.630 -3.459 -10.736 1.00 0.00 O ATOM 0 H SER A 24 7.176 -1.779 -9.224 1.00 0.00 H new ATOM 0 HA SER A 24 7.188 -4.642 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.469 -2.835 -11.389 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.199 -4.565 -11.453 1.00 0.00 H new ATOM 0 HG SER A 24 5.444 -2.497 -10.752 1.00 0.00 H new ATOM 397 N LYS A 25 9.942 -3.733 -8.636 1.00 0.00 N ATOM 398 CA LYS A 25 11.356 -4.051 -8.654 1.00 0.00 C ATOM 399 C LYS A 25 11.784 -4.525 -7.260 1.00 0.00 C ATOM 400 O LYS A 25 12.788 -4.092 -6.709 1.00 0.00 O ATOM 401 CB LYS A 25 12.144 -2.807 -9.060 1.00 0.00 C ATOM 402 CG LYS A 25 11.638 -2.237 -10.384 1.00 0.00 C ATOM 403 CD LYS A 25 12.375 -0.958 -10.778 1.00 0.00 C ATOM 404 CE LYS A 25 13.853 -1.217 -11.073 1.00 0.00 C ATOM 405 NZ LYS A 25 14.563 -0.003 -11.454 1.00 0.00 N ATOM 0 H LYS A 25 9.624 -3.187 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 25 11.554 -4.846 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.060 -2.050 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.201 -3.057 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.761 -2.982 -11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.571 -2.030 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.901 -0.522 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.288 -0.227 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.326 -1.650 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.938 -1.951 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.560 -0.229 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.130 0.398 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.506 0.690 -10.680 1.00 0.00 H new ATOM 419 N GLN A 26 10.934 -5.424 -6.729 1.00 0.00 N ATOM 420 CA GLN A 26 11.146 -5.865 -5.366 1.00 0.00 C ATOM 421 C GLN A 26 11.374 -7.374 -5.337 1.00 0.00 C ATOM 422 O GLN A 26 10.536 -8.179 -5.726 1.00 0.00 O ATOM 423 CB GLN A 26 9.944 -5.448 -4.522 1.00 0.00 C ATOM 424 CG GLN A 26 9.922 -3.931 -4.343 1.00 0.00 C ATOM 425 CD GLN A 26 11.024 -3.487 -3.377 1.00 0.00 C ATOM 426 OE1 GLN A 26 12.103 -4.066 -3.310 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.672 -2.425 -2.631 1.00 0.00 N ATOM 0 H GLN A 26 10.133 -5.835 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 26 12.037 -5.398 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.022 -5.778 -5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.988 -5.935 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.059 -3.443 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.950 -3.618 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.752 -2.001 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.325 -2.043 -1.947 1.00 0.00 H new ATOM 436 N ARG A 27 12.595 -7.677 -4.870 1.00 0.00 N ATOM 437 CA ARG A 27 13.073 -9.040 -4.988 1.00 0.00 C ATOM 438 C ARG A 27 12.892 -9.835 -3.690 1.00 0.00 C ATOM 439 O ARG A 27 13.671 -10.731 -3.387 1.00 0.00 O ATOM 440 CB ARG A 27 14.547 -9.014 -5.377 1.00 0.00 C ATOM 441 CG ARG A 27 14.976 -10.356 -5.961 1.00 0.00 C ATOM 442 CD ARG A 27 14.316 -10.589 -7.317 1.00 0.00 C ATOM 443 NE ARG A 27 14.760 -11.848 -7.885 1.00 0.00 N ATOM 444 CZ ARG A 27 14.143 -12.982 -7.505 1.00 0.00 C ATOM 445 NH1 ARG A 27 13.145 -12.942 -6.626 1.00 0.00 N ATOM 446 NH2 ARG A 27 14.532 -14.149 -8.011 1.00 0.00 N ATOM 0 H ARG A 27 13.237 -7.020 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 27 12.482 -9.540 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.722 -8.222 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.155 -8.782 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.060 -10.381 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.705 -11.160 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.232 -10.595 -7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.562 -9.771 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 27 15.525 -11.873 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.844 -12.049 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.681 -13.805 -6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.296 -14.183 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.066 -15.010 -7.725 1.00 0.00 H new ATOM 460 N HIS A 28 11.832 -9.471 -2.945 1.00 0.00 N ATOM 461 CA HIS A 28 11.607 -10.246 -1.732 1.00 0.00 C ATOM 462 C HIS A 28 10.121 -10.349 -1.332 1.00 0.00 C ATOM 463 O HIS A 28 9.799 -10.791 -0.236 1.00 0.00 O ATOM 464 CB HIS A 28 12.419 -9.658 -0.576 1.00 0.00 C ATOM 465 CG HIS A 28 13.891 -9.685 -0.916 1.00 0.00 C ATOM 466 ND1 HIS A 28 14.538 -8.680 -1.544 1.00 0.00 N ATOM 467 CD2 HIS A 28 14.813 -10.712 -0.654 1.00 0.00 C ATOM 468 CE1 HIS A 28 15.815 -9.084 -1.661 1.00 0.00 C ATOM 469 NE2 HIS A 28 16.012 -10.306 -1.134 1.00 0.00 N ATOM 0 H HIS A 28 11.176 -8.715 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 28 11.940 -11.261 -1.950 1.00 0.00 H new ATOM 0 HB2 HIS A 28 12.101 -8.634 -0.380 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.237 -10.228 0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 28 14.604 -11.650 -0.162 1.00 0.00 H new ATOM 0 HE1 HIS A 28 16.593 -8.495 -2.125 1.00 0.00 H new ATOM 0 HE2 HIS A 28 16.890 -10.824 -1.102 1.00 0.00 H new ATOM 477 N ASP A 29 9.244 -9.938 -2.268 1.00 0.00 N ATOM 478 CA ASP A 29 7.820 -10.066 -2.016 1.00 0.00 C ATOM 479 C ASP A 29 7.419 -9.293 -0.754 1.00 0.00 C ATOM 480 O ASP A 29 8.129 -9.259 0.242 1.00 0.00 O ATOM 481 CB ASP A 29 7.460 -11.544 -1.859 1.00 0.00 C ATOM 482 CG ASP A 29 5.955 -11.693 -1.631 1.00 0.00 C ATOM 483 OD1 ASP A 29 5.459 -11.174 -0.632 1.00 0.00 O ATOM 484 OD2 ASP A 29 5.296 -12.327 -2.453 1.00 0.00 O ATOM 0 H ASP A 29 9.495 -9.531 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 29 7.276 -9.645 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.758 -12.096 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.008 -11.973 -1.020 1.00 0.00 H new ATOM 489 N GLY A 30 6.225 -8.684 -0.869 1.00 0.00 N ATOM 490 CA GLY A 30 5.702 -7.993 0.299 1.00 0.00 C ATOM 491 C GLY A 30 5.940 -6.472 0.253 1.00 0.00 C ATOM 492 O GLY A 30 5.244 -5.707 0.910 1.00 0.00 O ATOM 0 H GLY A 30 5.643 -8.659 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.632 -8.186 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.168 -8.402 1.196 1.00 0.00 H new ATOM 496 N ALA A 31 6.943 -6.077 -0.556 1.00 0.00 N ATOM 497 CA ALA A 31 7.200 -4.656 -0.708 1.00 0.00 C ATOM 498 C ALA A 31 5.875 -3.903 -0.849 1.00 0.00 C ATOM 499 O ALA A 31 5.120 -4.111 -1.791 1.00 0.00 O ATOM 500 CB ALA A 31 8.064 -4.428 -1.946 1.00 0.00 C ATOM 0 H ALA A 31 7.555 -6.698 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 31 7.725 -4.284 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.259 -3.362 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.009 -4.959 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.542 -4.800 -2.828 1.00 0.00 H new ATOM 506 N PHE A 32 5.639 -3.019 0.141 1.00 0.00 N ATOM 507 CA PHE A 32 4.400 -2.254 0.046 1.00 0.00 C ATOM 508 C PHE A 32 4.645 -0.756 0.245 1.00 0.00 C ATOM 509 O PHE A 32 5.630 -0.329 0.834 1.00 0.00 O ATOM 510 CB PHE A 32 3.362 -2.759 1.057 1.00 0.00 C ATOM 511 CG PHE A 32 3.696 -2.387 2.472 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.654 -3.158 3.217 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.055 -1.256 3.096 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.966 -2.811 4.578 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.366 -0.905 4.456 1.00 0.00 C ATOM 516 CZ PHE A 32 4.321 -1.684 5.197 1.00 0.00 C ATOM 0 H PHE A 32 6.237 -2.832 0.946 1.00 0.00 H new ATOM 0 HA PHE A 32 4.008 -2.401 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.384 -2.351 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.285 -3.844 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.142 -4.002 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.338 -0.670 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.684 -3.396 5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.883 -0.058 4.920 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.554 -1.423 6.219 1.00 0.00 H new ATOM 526 N LEU A 33 3.660 0.002 -0.269 1.00 0.00 N ATOM 527 CA LEU A 33 3.680 1.425 0.004 1.00 0.00 C ATOM 528 C LEU A 33 2.257 1.974 -0.017 1.00 0.00 C ATOM 529 O LEU A 33 1.366 1.447 -0.673 1.00 0.00 O ATOM 530 CB LEU A 33 4.575 2.175 -0.989 1.00 0.00 C ATOM 531 CG LEU A 33 4.162 2.041 -2.458 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.989 2.963 -2.810 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.362 2.370 -3.347 1.00 0.00 C ATOM 0 H LEU A 33 2.886 -0.334 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 33 4.104 1.580 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.581 3.232 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.597 1.813 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 33 3.834 1.015 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.729 2.836 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.129 2.710 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.274 3.999 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.075 2.277 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.691 3.390 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.176 1.678 -3.131 1.00 0.00 H new ATOM 545 N ILE A 34 2.115 3.071 0.744 1.00 0.00 N ATOM 546 CA ILE A 34 0.836 3.750 0.722 1.00 0.00 C ATOM 547 C ILE A 34 1.052 5.191 0.267 1.00 0.00 C ATOM 548 O ILE A 34 1.688 5.991 0.944 1.00 0.00 O ATOM 549 CB ILE A 34 0.210 3.722 2.113 1.00 0.00 C ATOM 550 CG1 ILE A 34 0.029 2.287 2.595 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.129 4.463 2.126 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.831 2.254 3.854 1.00 0.00 C ATOM 0 H ILE A 34 2.831 3.479 1.345 1.00 0.00 H new ATOM 0 HA ILE A 34 0.160 3.247 0.030 1.00 0.00 H new ATOM 0 HB ILE A 34 0.889 4.233 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.438 1.690 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.002 1.840 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.554 4.428 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.973 5.501 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.815 3.988 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.951 1.223 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.348 2.834 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.810 2.682 3.637 1.00 0.00 H new ATOM 564 N ARG A 35 0.498 5.466 -0.927 1.00 0.00 N ATOM 565 CA ARG A 35 0.764 6.795 -1.446 1.00 0.00 C ATOM 566 C ARG A 35 -0.236 7.796 -0.868 1.00 0.00 C ATOM 567 O ARG A 35 -1.442 7.581 -0.867 1.00 0.00 O ATOM 568 CB ARG A 35 0.714 6.816 -2.975 1.00 0.00 C ATOM 569 CG ARG A 35 -0.712 6.744 -3.520 1.00 0.00 C ATOM 570 CD ARG A 35 -1.337 5.362 -3.355 1.00 0.00 C ATOM 571 NE ARG A 35 -2.698 5.397 -3.857 1.00 0.00 N ATOM 572 CZ ARG A 35 -2.896 5.474 -5.186 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.859 5.517 -6.018 1.00 0.00 N ATOM 574 NH2 ARG A 35 -4.135 5.508 -5.670 1.00 0.00 N ATOM 0 H ARG A 35 -0.080 4.847 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 35 1.771 7.081 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.191 7.726 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.290 5.977 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.330 7.481 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.707 7.012 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.754 4.618 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.330 5.068 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.490 5.364 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.908 5.492 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.015 5.575 -7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.932 5.476 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.288 5.566 -6.677 1.00 0.00 H new ATOM 588 N GLU A 36 0.357 8.901 -0.380 1.00 0.00 N ATOM 589 CA GLU A 36 -0.479 9.972 0.132 1.00 0.00 C ATOM 590 C GLU A 36 -1.165 10.683 -1.035 1.00 0.00 C ATOM 591 O GLU A 36 -0.869 11.825 -1.363 1.00 0.00 O ATOM 592 CB GLU A 36 0.382 10.972 0.896 1.00 0.00 C ATOM 593 CG GLU A 36 -0.440 12.136 1.453 1.00 0.00 C ATOM 594 CD GLU A 36 -1.486 11.614 2.439 1.00 0.00 C ATOM 595 OE1 GLU A 36 -1.098 11.034 3.452 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.674 11.794 2.181 1.00 0.00 O ATOM 0 H GLU A 36 1.363 9.062 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.232 9.555 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.888 10.462 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.157 11.360 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.216 12.850 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.930 12.668 0.638 1.00 0.00 H new ATOM 603 N SER A 37 -2.095 9.910 -1.624 1.00 0.00 N ATOM 604 CA SER A 37 -2.847 10.346 -2.777 1.00 0.00 C ATOM 605 C SER A 37 -2.094 11.420 -3.576 1.00 0.00 C ATOM 606 O SER A 37 -0.871 11.438 -3.647 1.00 0.00 O ATOM 607 CB SER A 37 -4.202 10.840 -2.283 1.00 0.00 C ATOM 608 OG SER A 37 -4.078 12.064 -1.606 1.00 0.00 O ATOM 0 H SER A 37 -2.334 8.972 -1.303 1.00 0.00 H new ATOM 0 HA SER A 37 -2.988 9.516 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.881 10.956 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.643 10.097 -1.619 1.00 0.00 H new ATOM 0 HG SER A 37 -3.754 11.903 -0.695 1.00 0.00 H new ATOM 614 N GLU A 38 -2.914 12.308 -4.165 1.00 0.00 N ATOM 615 CA GLU A 38 -2.346 13.403 -4.924 1.00 0.00 C ATOM 616 C GLU A 38 -2.997 14.712 -4.474 1.00 0.00 C ATOM 617 O GLU A 38 -2.389 15.553 -3.824 1.00 0.00 O ATOM 618 CB GLU A 38 -2.614 13.162 -6.407 1.00 0.00 C ATOM 619 CG GLU A 38 -1.884 14.163 -7.296 1.00 0.00 C ATOM 620 CD GLU A 38 -2.180 13.866 -8.768 1.00 0.00 C ATOM 621 OE1 GLU A 38 -2.414 12.703 -9.096 1.00 0.00 O ATOM 622 OE2 GLU A 38 -2.179 14.800 -9.568 1.00 0.00 O ATOM 0 H GLU A 38 -3.933 12.282 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.271 13.466 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.303 12.151 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.686 13.226 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.198 15.177 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.811 14.109 -7.114 1.00 0.00 H new ATOM 629 N SER A 39 -4.280 14.809 -4.867 1.00 0.00 N ATOM 630 CA SER A 39 -5.053 15.964 -4.447 1.00 0.00 C ATOM 631 C SER A 39 -6.434 15.511 -3.958 1.00 0.00 C ATOM 632 O SER A 39 -7.458 16.101 -4.283 1.00 0.00 O ATOM 633 CB SER A 39 -5.200 16.938 -5.616 1.00 0.00 C ATOM 634 OG SER A 39 -5.926 18.075 -5.225 1.00 0.00 O ATOM 0 H SER A 39 -4.774 14.131 -5.447 1.00 0.00 H new ATOM 0 HA SER A 39 -4.537 16.468 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.215 17.235 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.706 16.445 -6.446 1.00 0.00 H new ATOM 0 HG SER A 39 -6.728 17.798 -4.735 1.00 0.00 H new ATOM 640 N ALA A 40 -6.390 14.423 -3.165 1.00 0.00 N ATOM 641 CA ALA A 40 -7.636 13.882 -2.659 1.00 0.00 C ATOM 642 C ALA A 40 -8.122 14.694 -1.447 1.00 0.00 C ATOM 643 O ALA A 40 -9.149 15.356 -1.519 1.00 0.00 O ATOM 644 CB ALA A 40 -7.492 12.385 -2.380 1.00 0.00 C ATOM 0 H ALA A 40 -5.543 13.931 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.414 13.976 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.436 11.993 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.228 11.867 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.709 12.227 -1.638 1.00 0.00 H new ATOM 650 N PRO A 41 -7.346 14.654 -0.335 1.00 0.00 N ATOM 651 CA PRO A 41 -6.147 13.836 -0.142 1.00 0.00 C ATOM 652 C PRO A 41 -6.395 12.467 0.524 1.00 0.00 C ATOM 653 O PRO A 41 -5.476 11.680 0.717 1.00 0.00 O ATOM 654 CB PRO A 41 -5.363 14.656 0.877 1.00 0.00 C ATOM 655 CG PRO A 41 -6.440 15.318 1.742 1.00 0.00 C ATOM 656 CD PRO A 41 -7.617 15.539 0.791 1.00 0.00 C ATOM 0 HA PRO A 41 -5.683 13.628 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.706 14.024 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.733 15.399 0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.722 14.681 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.087 16.260 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.565 15.294 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.680 16.579 0.472 1.00 0.00 H new ATOM 664 N GLY A 42 -7.675 12.240 0.873 1.00 0.00 N ATOM 665 CA GLY A 42 -8.003 11.027 1.599 1.00 0.00 C ATOM 666 C GLY A 42 -8.092 9.819 0.662 1.00 0.00 C ATOM 667 O GLY A 42 -9.092 9.114 0.619 1.00 0.00 O ATOM 0 H GLY A 42 -8.460 12.859 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.246 10.842 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.953 11.158 2.117 1.00 0.00 H new ATOM 671 N ASP A 43 -6.981 9.624 -0.072 1.00 0.00 N ATOM 672 CA ASP A 43 -6.940 8.458 -0.937 1.00 0.00 C ATOM 673 C ASP A 43 -5.632 7.693 -0.710 1.00 0.00 C ATOM 674 O ASP A 43 -4.601 7.982 -1.306 1.00 0.00 O ATOM 675 CB ASP A 43 -7.054 8.884 -2.401 1.00 0.00 C ATOM 676 CG ASP A 43 -8.404 9.557 -2.656 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.209 9.631 -1.729 1.00 0.00 O ATOM 678 OD2 ASP A 43 -8.637 9.998 -3.780 1.00 0.00 O ATOM 0 H ASP A 43 -6.155 10.222 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.780 7.806 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.245 9.571 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.946 8.014 -3.049 1.00 0.00 H new ATOM 683 N PHE A 44 -5.758 6.692 0.179 1.00 0.00 N ATOM 684 CA PHE A 44 -4.599 5.874 0.475 1.00 0.00 C ATOM 685 C PHE A 44 -4.803 4.467 -0.090 1.00 0.00 C ATOM 686 O PHE A 44 -5.799 3.806 0.175 1.00 0.00 O ATOM 687 CB PHE A 44 -4.410 5.784 1.989 1.00 0.00 C ATOM 688 CG PHE A 44 -4.102 7.122 2.593 1.00 0.00 C ATOM 689 CD1 PHE A 44 -5.083 8.176 2.581 1.00 0.00 C ATOM 690 CD2 PHE A 44 -2.817 7.357 3.198 1.00 0.00 C ATOM 691 CE1 PHE A 44 -4.783 9.454 3.172 1.00 0.00 C ATOM 692 CE2 PHE A 44 -2.512 8.632 3.790 1.00 0.00 C ATOM 693 CZ PHE A 44 -3.497 9.681 3.777 1.00 0.00 C ATOM 0 H PHE A 44 -6.614 6.447 0.678 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.717 6.325 0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.314 5.379 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.601 5.089 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.048 8.007 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.077 6.571 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.522 10.241 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.546 8.802 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.271 10.639 4.221 1.00 0.00 H new ATOM 703 N SER A 45 -3.789 4.054 -0.872 1.00 0.00 N ATOM 704 CA SER A 45 -3.836 2.691 -1.369 1.00 0.00 C ATOM 705 C SER A 45 -2.545 1.969 -0.983 1.00 0.00 C ATOM 706 O SER A 45 -1.442 2.476 -1.157 1.00 0.00 O ATOM 707 CB SER A 45 -4.001 2.674 -2.888 1.00 0.00 C ATOM 708 OG SER A 45 -2.765 2.895 -3.518 1.00 0.00 O ATOM 0 H SER A 45 -2.982 4.611 -1.153 1.00 0.00 H new ATOM 0 HA SER A 45 -4.692 2.184 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.411 1.715 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.713 3.441 -3.191 1.00 0.00 H new ATOM 0 HG SER A 45 -2.852 2.723 -4.479 1.00 0.00 H new ATOM 714 N LEU A 46 -2.775 0.758 -0.444 1.00 0.00 N ATOM 715 CA LEU A 46 -1.647 -0.060 -0.050 1.00 0.00 C ATOM 716 C LEU A 46 -1.253 -0.965 -1.218 1.00 0.00 C ATOM 717 O LEU A 46 -1.993 -1.850 -1.629 1.00 0.00 O ATOM 718 CB LEU A 46 -2.036 -0.899 1.168 1.00 0.00 C ATOM 719 CG LEU A 46 -0.829 -1.494 1.896 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.265 -2.109 3.224 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.106 -2.538 1.045 1.00 0.00 C ATOM 0 H LEU A 46 -3.695 0.350 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.797 0.570 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.603 -0.279 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.696 -1.706 0.850 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.128 -0.681 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.397 -2.529 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.716 -1.340 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.994 -2.898 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.744 -2.934 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.792 -3.350 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.247 -2.075 0.123 1.00 0.00 H new ATOM 733 N SER A 47 -0.041 -0.679 -1.720 1.00 0.00 N ATOM 734 CA SER A 47 0.428 -1.471 -2.842 1.00 0.00 C ATOM 735 C SER A 47 1.302 -2.610 -2.321 1.00 0.00 C ATOM 736 O SER A 47 1.907 -2.517 -1.261 1.00 0.00 O ATOM 737 CB SER A 47 1.222 -0.591 -3.808 1.00 0.00 C ATOM 738 OG SER A 47 0.431 0.473 -4.273 1.00 0.00 O ATOM 0 H SER A 47 0.590 0.049 -1.386 1.00 0.00 H new ATOM 0 HA SER A 47 -0.425 -1.888 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.108 -0.201 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.569 -1.189 -4.651 1.00 0.00 H new ATOM 0 HG SER A 47 0.956 1.026 -4.888 1.00 0.00 H new ATOM 744 N VAL A 48 1.320 -3.691 -3.119 1.00 0.00 N ATOM 745 CA VAL A 48 2.130 -4.816 -2.692 1.00 0.00 C ATOM 746 C VAL A 48 2.584 -5.626 -3.904 1.00 0.00 C ATOM 747 O VAL A 48 1.817 -5.917 -4.814 1.00 0.00 O ATOM 748 CB VAL A 48 1.335 -5.723 -1.753 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.184 -6.921 -1.324 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.828 -4.952 -0.534 1.00 0.00 C ATOM 0 H VAL A 48 0.818 -3.799 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 48 3.001 -4.428 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 48 0.464 -6.091 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.604 -7.557 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.478 -7.492 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.076 -6.568 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.267 -5.625 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.675 -4.542 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.180 -4.139 -0.861 1.00 0.00 H new ATOM 760 N LYS A 49 3.880 -5.979 -3.843 1.00 0.00 N ATOM 761 CA LYS A 49 4.372 -6.865 -4.877 1.00 0.00 C ATOM 762 C LYS A 49 4.037 -8.305 -4.487 1.00 0.00 C ATOM 763 O LYS A 49 4.626 -8.883 -3.582 1.00 0.00 O ATOM 764 CB LYS A 49 5.882 -6.695 -5.051 1.00 0.00 C ATOM 765 CG LYS A 49 6.396 -7.527 -6.227 1.00 0.00 C ATOM 766 CD LYS A 49 7.877 -7.290 -6.517 1.00 0.00 C ATOM 767 CE LYS A 49 8.340 -8.076 -7.745 1.00 0.00 C ATOM 768 NZ LYS A 49 9.726 -7.800 -8.102 1.00 0.00 N ATOM 0 H LYS A 49 4.554 -5.683 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 49 3.896 -6.622 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.116 -5.643 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.393 -6.997 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.237 -8.584 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.813 -7.289 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.052 -6.226 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.470 -7.583 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.224 -9.143 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.696 -7.833 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.065 -8.527 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.789 -6.865 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.314 -7.811 -7.244 1.00 0.00 H new ATOM 782 N PHE A 50 3.043 -8.834 -5.221 1.00 0.00 N ATOM 783 CA PHE A 50 2.597 -10.170 -4.879 1.00 0.00 C ATOM 784 C PHE A 50 3.621 -11.191 -5.366 1.00 0.00 C ATOM 785 O PHE A 50 4.440 -11.709 -4.618 1.00 0.00 O ATOM 786 CB PHE A 50 1.223 -10.432 -5.501 1.00 0.00 C ATOM 787 CG PHE A 50 0.748 -11.826 -5.210 1.00 0.00 C ATOM 788 CD1 PHE A 50 1.143 -12.491 -3.994 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.107 -12.509 -6.146 1.00 0.00 C ATOM 790 CE1 PHE A 50 0.687 -13.828 -3.717 1.00 0.00 C ATOM 791 CE2 PHE A 50 -0.565 -13.845 -5.872 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.166 -14.504 -4.656 1.00 0.00 C ATOM 0 H PHE A 50 2.567 -8.383 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 50 2.506 -10.262 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.503 -9.712 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.275 -10.281 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.784 -11.984 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.406 -12.016 -7.059 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.985 -14.323 -2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.207 -14.352 -6.577 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.508 -15.507 -4.449 1.00 0.00 H new ATOM 802 N GLY A 51 3.497 -11.433 -6.677 1.00 0.00 N ATOM 803 CA GLY A 51 4.405 -12.369 -7.306 1.00 0.00 C ATOM 804 C GLY A 51 5.189 -11.667 -8.415 1.00 0.00 C ATOM 805 O GLY A 51 6.359 -11.332 -8.278 1.00 0.00 O ATOM 0 H GLY A 51 2.803 -11.008 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.092 -12.777 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.847 -13.209 -7.719 1.00 0.00 H new ATOM 809 N ASN A 52 4.445 -11.475 -9.516 1.00 0.00 N ATOM 810 CA ASN A 52 5.029 -10.783 -10.652 1.00 0.00 C ATOM 811 C ASN A 52 4.351 -9.422 -10.910 1.00 0.00 C ATOM 812 O ASN A 52 4.939 -8.526 -11.504 1.00 0.00 O ATOM 813 CB ASN A 52 4.884 -11.660 -11.894 1.00 0.00 C ATOM 814 CG ASN A 52 5.586 -11.003 -13.084 1.00 0.00 C ATOM 815 OD1 ASN A 52 6.780 -11.168 -13.303 1.00 0.00 O ATOM 816 ND2 ASN A 52 4.758 -10.258 -13.837 1.00 0.00 N ATOM 0 H ASN A 52 3.478 -11.779 -9.634 1.00 0.00 H new ATOM 0 HA ASN A 52 6.079 -10.595 -10.429 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.313 -12.644 -11.706 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.829 -11.811 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.114 -9.777 -14.663 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.774 -10.174 -13.582 1.00 0.00 H new ATOM 823 N ASP A 53 3.088 -9.320 -10.447 1.00 0.00 N ATOM 824 CA ASP A 53 2.346 -8.107 -10.726 1.00 0.00 C ATOM 825 C ASP A 53 2.119 -7.321 -9.435 1.00 0.00 C ATOM 826 O ASP A 53 2.146 -7.857 -8.333 1.00 0.00 O ATOM 827 CB ASP A 53 1.006 -8.460 -11.373 1.00 0.00 C ATOM 828 CG ASP A 53 1.244 -9.244 -12.665 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.462 -8.618 -13.701 1.00 0.00 O ATOM 830 OD2 ASP A 53 1.203 -10.473 -12.621 1.00 0.00 O ATOM 0 H ASP A 53 2.594 -10.031 -9.907 1.00 0.00 H new ATOM 0 HA ASP A 53 2.920 -7.487 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.404 -9.052 -10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.444 -7.551 -11.587 1.00 0.00 H new ATOM 835 N VAL A 54 1.902 -6.012 -9.656 1.00 0.00 N ATOM 836 CA VAL A 54 1.667 -5.153 -8.514 1.00 0.00 C ATOM 837 C VAL A 54 0.195 -5.222 -8.103 1.00 0.00 C ATOM 838 O VAL A 54 -0.684 -4.656 -8.741 1.00 0.00 O ATOM 839 CB VAL A 54 2.045 -3.714 -8.866 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.723 -2.772 -7.705 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.523 -3.620 -9.249 1.00 0.00 C ATOM 0 H VAL A 54 1.887 -5.557 -10.569 1.00 0.00 H new ATOM 0 HA VAL A 54 2.282 -5.490 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 54 1.452 -3.406 -9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.000 -1.753 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.655 -2.813 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.284 -3.078 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.770 -2.587 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.138 -3.950 -8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.716 -4.256 -10.113 1.00 0.00 H new ATOM 851 N GLN A 55 0.001 -5.944 -6.986 1.00 0.00 N ATOM 852 CA GLN A 55 -1.338 -6.020 -6.436 1.00 0.00 C ATOM 853 C GLN A 55 -1.479 -4.986 -5.320 1.00 0.00 C ATOM 854 O GLN A 55 -0.538 -4.673 -4.603 1.00 0.00 O ATOM 855 CB GLN A 55 -1.616 -7.440 -5.941 1.00 0.00 C ATOM 856 CG GLN A 55 -2.924 -7.558 -5.157 1.00 0.00 C ATOM 857 CD GLN A 55 -2.757 -6.936 -3.770 1.00 0.00 C ATOM 858 OE1 GLN A 55 -3.583 -6.163 -3.301 1.00 0.00 O ATOM 859 NE2 GLN A 55 -1.627 -7.332 -3.157 1.00 0.00 N ATOM 0 H GLN A 55 0.722 -6.455 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.077 -5.793 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.650 -8.116 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.790 -7.766 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.728 -7.056 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.209 -8.606 -5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.994 -7.981 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.403 -6.983 -2.225 1.00 0.00 H new ATOM 868 N HIS A 56 -2.714 -4.460 -5.256 1.00 0.00 N ATOM 869 CA HIS A 56 -2.923 -3.331 -4.368 1.00 0.00 C ATOM 870 C HIS A 56 -4.193 -3.516 -3.533 1.00 0.00 C ATOM 871 O HIS A 56 -5.013 -4.393 -3.775 1.00 0.00 O ATOM 872 CB HIS A 56 -3.023 -2.047 -5.193 1.00 0.00 C ATOM 873 CG HIS A 56 -4.213 -2.132 -6.119 1.00 0.00 C ATOM 874 ND1 HIS A 56 -4.160 -2.637 -7.370 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.531 -1.721 -5.861 1.00 0.00 C ATOM 876 CE1 HIS A 56 -5.409 -2.537 -7.858 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.259 -1.987 -6.971 1.00 0.00 N ATOM 0 H HIS A 56 -3.530 -4.781 -5.778 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.076 -3.264 -3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.124 -1.185 -4.533 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.110 -1.901 -5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.896 -1.276 -4.947 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.697 -2.861 -8.847 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.254 -1.807 -7.108 1.00 0.00 H new ATOM 885 N PHE A 57 -4.281 -2.615 -2.537 1.00 0.00 N ATOM 886 CA PHE A 57 -5.431 -2.637 -1.651 1.00 0.00 C ATOM 887 C PHE A 57 -5.879 -1.201 -1.372 1.00 0.00 C ATOM 888 O PHE A 57 -5.189 -0.434 -0.712 1.00 0.00 O ATOM 889 CB PHE A 57 -5.055 -3.301 -0.326 1.00 0.00 C ATOM 890 CG PHE A 57 -4.534 -4.693 -0.526 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.443 -5.778 -0.785 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.119 -4.953 -0.453 1.00 0.00 C ATOM 893 CE1 PHE A 57 -4.943 -7.115 -0.971 1.00 0.00 C ATOM 894 CE2 PHE A 57 -2.617 -6.288 -0.637 1.00 0.00 C ATOM 895 CZ PHE A 57 -3.529 -7.369 -0.896 1.00 0.00 C ATOM 0 H PHE A 57 -3.590 -1.891 -2.339 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.236 -3.198 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.299 -2.700 0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.928 -3.330 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.505 -5.588 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.432 -4.142 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.628 -7.926 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.555 -6.479 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.152 -8.372 -1.034 1.00 0.00 H new ATOM 905 N LYS A 58 -7.073 -0.886 -1.903 1.00 0.00 N ATOM 906 CA LYS A 58 -7.552 0.459 -1.649 1.00 0.00 C ATOM 907 C LYS A 58 -8.108 0.550 -0.229 1.00 0.00 C ATOM 908 O LYS A 58 -9.165 0.020 0.089 1.00 0.00 O ATOM 909 CB LYS A 58 -8.629 0.851 -2.660 1.00 0.00 C ATOM 910 CG LYS A 58 -8.088 0.861 -4.088 1.00 0.00 C ATOM 911 CD LYS A 58 -9.099 1.438 -5.078 1.00 0.00 C ATOM 912 CE LYS A 58 -10.395 0.630 -5.110 1.00 0.00 C ATOM 913 NZ LYS A 58 -10.192 -0.730 -5.595 1.00 0.00 N ATOM 0 H LYS A 58 -7.672 -1.493 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.716 1.151 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.463 0.153 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.019 1.838 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.170 1.447 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.829 -0.155 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.322 2.470 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.659 1.457 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.823 0.595 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.119 1.136 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.114 -1.193 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.685 -0.703 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.632 -1.266 -4.902 1.00 0.00 H new ATOM 927 N VAL A 59 -7.325 1.272 0.592 1.00 0.00 N ATOM 928 CA VAL A 59 -7.795 1.508 1.941 1.00 0.00 C ATOM 929 C VAL A 59 -8.903 2.557 1.897 1.00 0.00 C ATOM 930 O VAL A 59 -8.668 3.756 1.985 1.00 0.00 O ATOM 931 CB VAL A 59 -6.629 1.968 2.816 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.088 2.281 4.241 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.539 0.897 2.818 1.00 0.00 C ATOM 0 H VAL A 59 -6.419 1.675 0.353 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.197 0.591 2.372 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.225 2.890 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.234 2.605 4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.835 3.074 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.523 1.387 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.708 1.225 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.944 -0.034 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.186 0.735 1.799 1.00 0.00 H new ATOM 943 N LEU A 60 -10.123 2.014 1.740 1.00 0.00 N ATOM 944 CA LEU A 60 -11.247 2.906 1.575 1.00 0.00 C ATOM 945 C LEU A 60 -11.704 3.412 2.937 1.00 0.00 C ATOM 946 O LEU A 60 -11.534 2.758 3.959 1.00 0.00 O ATOM 947 CB LEU A 60 -12.391 2.156 0.904 1.00 0.00 C ATOM 948 CG LEU A 60 -11.950 1.468 -0.390 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.123 0.738 -1.044 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.319 2.462 -1.366 1.00 0.00 C ATOM 0 H LEU A 60 -10.335 1.016 1.726 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.950 3.753 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.788 1.410 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.201 2.852 0.686 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.189 0.732 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.786 0.257 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.509 -0.017 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.912 1.453 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.018 1.939 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.044 3.236 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.445 2.920 -0.904 1.00 0.00 H new ATOM 962 N ARG A 61 -12.289 4.619 2.877 1.00 0.00 N ATOM 963 CA ARG A 61 -12.758 5.205 4.112 1.00 0.00 C ATOM 964 C ARG A 61 -14.213 4.770 4.344 1.00 0.00 C ATOM 965 O ARG A 61 -14.594 3.646 4.040 1.00 0.00 O ATOM 966 CB ARG A 61 -12.624 6.721 4.009 1.00 0.00 C ATOM 967 CG ARG A 61 -12.607 7.396 5.378 1.00 0.00 C ATOM 968 CD ARG A 61 -12.921 8.880 5.248 1.00 0.00 C ATOM 969 NE ARG A 61 -13.506 9.336 6.491 1.00 0.00 N ATOM 970 CZ ARG A 61 -14.424 10.317 6.473 1.00 0.00 C ATOM 971 NH1 ARG A 61 -14.708 10.963 5.345 1.00 0.00 N ATOM 972 NH2 ARG A 61 -15.055 10.629 7.597 1.00 0.00 N ATOM 0 H ARG A 61 -12.437 5.171 2.032 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.167 4.868 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.707 6.967 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.452 7.117 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.337 6.920 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.629 7.265 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.013 9.442 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.609 9.050 4.420 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.223 8.915 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.227 10.715 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.407 11.706 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.841 10.127 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.755 11.371 7.600 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.688 4.916 9.007 1.00 0.00 N ATOM 1023 CA LYS A 66 -13.255 5.134 8.944 1.00 0.00 C ATOM 1024 C LYS A 66 -12.662 4.371 7.751 1.00 0.00 C ATOM 1025 O LYS A 66 -13.246 4.321 6.675 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.600 4.749 10.275 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.367 5.320 11.471 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.644 5.091 12.801 1.00 0.00 C ATOM 1029 CE LYS A 66 -11.588 6.162 13.077 1.00 0.00 C ATOM 1030 NZ LYS A 66 -10.496 6.146 12.112 1.00 0.00 N ATOM 0 HA LYS A 66 -13.050 6.193 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.554 3.663 10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.573 5.114 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.518 6.389 11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.355 4.862 11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.372 5.084 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.170 4.110 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.062 7.143 13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.183 6.016 14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.599 6.345 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.445 5.210 11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.664 6.871 11.386 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.473 3.790 8.004 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.805 3.092 6.921 1.00 0.00 C ATOM 1046 C TYR A 67 -10.900 1.580 7.125 1.00 0.00 C ATOM 1047 O TYR A 67 -10.678 1.063 8.213 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.339 3.523 6.855 1.00 0.00 C ATOM 1049 CG TYR A 67 -9.218 5.000 6.620 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -9.184 5.911 7.736 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -9.135 5.517 5.279 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -9.066 7.328 7.513 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -9.017 6.934 5.052 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.983 7.838 6.171 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.870 9.196 5.956 1.00 0.00 O ATOM 0 H TYR A 67 -10.988 3.794 8.901 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.295 3.346 5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.837 3.258 7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.834 2.982 6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.247 5.529 8.744 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.161 4.839 4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.040 8.007 8.352 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.954 7.317 4.044 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.824 9.372 4.993 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.248 0.906 6.011 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.385 -0.534 6.138 1.00 0.00 C ATOM 1067 C PHE A 68 -11.088 -1.233 4.807 1.00 0.00 C ATOM 1068 O PHE A 68 -10.921 -0.615 3.763 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.799 -0.879 6.612 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.828 -0.532 5.575 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -14.178 -1.491 4.559 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.471 0.756 5.586 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -15.162 -1.166 3.561 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.456 1.084 4.590 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.801 0.122 3.578 1.00 0.00 C ATOM 0 H PHE A 68 -11.424 1.306 5.089 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.662 -0.887 6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.857 -1.943 6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.016 -0.341 7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.699 -2.459 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.213 1.479 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.420 -1.888 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.936 2.051 4.602 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.541 0.367 2.830 1.00 0.00 H new ATOM 1085 N LEU A 69 -11.041 -2.572 4.944 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.802 -3.420 3.789 1.00 0.00 C ATOM 1087 C LEU A 69 -12.067 -4.230 3.478 1.00 0.00 C ATOM 1088 O LEU A 69 -12.933 -3.802 2.726 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.614 -4.347 4.070 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.299 -3.786 3.533 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -8.139 -2.318 3.895 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -7.098 -4.586 4.036 1.00 0.00 C ATOM 0 H LEU A 69 -11.164 -3.069 5.826 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.562 -2.806 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.526 -4.505 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.802 -5.321 3.618 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.335 -3.874 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.194 -1.947 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.962 -1.746 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.147 -2.208 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.181 -4.157 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.067 -4.550 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.188 -5.622 3.709 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.103 -5.432 4.083 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.205 -6.322 3.766 1.00 0.00 C ATOM 1106 C TRP A 70 -14.380 -6.095 4.723 1.00 0.00 C ATOM 1107 O TRP A 70 -15.539 -6.107 4.327 1.00 0.00 O ATOM 1108 CB TRP A 70 -12.739 -7.776 3.857 1.00 0.00 C ATOM 1109 CG TRP A 70 -11.633 -8.017 2.856 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -10.263 -7.846 3.084 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.777 -8.459 1.492 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -9.562 -8.152 1.961 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.427 -8.536 0.944 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -12.894 -8.794 0.691 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -10.225 -8.947 -0.396 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -12.694 -9.213 -0.676 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -11.359 -9.288 -1.219 1.00 0.00 C ATOM 0 H TRP A 70 -11.420 -5.784 4.754 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.539 -6.109 2.751 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.385 -7.993 4.865 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -13.574 -8.449 3.661 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -9.827 -7.519 4.016 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.547 -8.106 1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -13.892 -8.737 1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.225 -9.005 -0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.543 -9.470 -1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.209 -9.600 -2.242 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.006 -5.899 6.000 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.056 -5.770 6.991 1.00 0.00 C ATOM 1130 C VAL A 71 -14.599 -4.855 8.129 1.00 0.00 C ATOM 1131 O VAL A 71 -14.870 -3.660 8.151 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.420 -7.156 7.530 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.433 -7.056 8.673 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.953 -8.050 6.409 1.00 0.00 C ATOM 0 H VAL A 71 -13.048 -5.832 6.343 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.937 -5.325 6.529 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.512 -7.610 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.672 -8.056 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.007 -6.468 9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.342 -6.573 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.205 -9.030 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.844 -7.597 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.190 -8.161 5.639 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.911 -5.508 9.082 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.524 -4.791 10.279 1.00 0.00 C ATOM 1146 C VAL A 72 -12.853 -3.464 9.912 1.00 0.00 C ATOM 1147 O VAL A 72 -11.975 -3.388 9.061 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.589 -5.665 11.110 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.289 -6.969 11.497 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.297 -5.947 10.345 1.00 0.00 C ATOM 0 H VAL A 72 -13.628 -6.487 9.041 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.411 -4.563 10.870 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.330 -5.130 12.024 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.611 -7.584 12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.180 -6.744 12.083 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.575 -7.510 10.595 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.643 -6.572 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.531 -6.465 9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.794 -5.006 10.120 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.345 -2.432 10.620 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.832 -1.095 10.389 1.00 0.00 C ATOM 1162 C LYS A 73 -11.607 -0.848 11.266 1.00 0.00 C ATOM 1163 O LYS A 73 -11.455 -1.409 12.345 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.923 -0.075 10.711 1.00 0.00 C ATOM 1165 CG LYS A 73 -15.064 -0.156 9.702 1.00 0.00 C ATOM 1166 CD LYS A 73 -16.337 0.527 10.202 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.932 -0.192 11.413 1.00 0.00 C ATOM 1168 NZ LYS A 73 -18.160 0.436 11.884 1.00 0.00 N ATOM 0 H LYS A 73 -14.073 -2.504 11.331 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.538 -0.993 9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.308 -0.254 11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.499 0.929 10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.751 0.307 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.278 -1.202 9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.114 1.561 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.073 0.555 9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.135 -1.231 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.200 -0.204 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.525 -0.087 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.963 1.419 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.869 0.425 11.124 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.746 0.024 10.715 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.521 0.329 11.437 1.00 0.00 C ATOM 1184 C PHE A 74 -9.422 1.844 11.611 1.00 0.00 C ATOM 1185 O PHE A 74 -9.775 2.617 10.729 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.256 -0.175 10.719 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.410 -1.526 10.079 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.328 -2.720 10.876 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.653 -1.630 8.663 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.489 -4.013 10.264 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.817 -2.920 8.048 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.736 -4.112 8.850 1.00 0.00 C ATOM 0 H PHE A 74 -10.871 0.502 9.822 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.571 -0.185 12.397 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.974 0.548 9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.436 -0.216 11.436 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.145 -2.646 11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.712 -0.736 8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.424 -4.908 10.866 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.001 -2.994 6.986 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.861 -5.081 8.390 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.926 2.213 12.803 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.785 3.638 13.042 1.00 0.00 C ATOM 1204 C ASN A 75 -7.906 4.297 11.964 1.00 0.00 C ATOM 1205 O ASN A 75 -8.123 5.441 11.583 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.200 3.877 14.434 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.826 3.214 14.551 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.674 2.140 15.118 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -5.843 3.936 13.985 1.00 0.00 N ATOM 0 H ASN A 75 -8.638 1.591 13.558 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.773 4.096 12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.112 4.947 14.621 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.872 3.475 15.193 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.882 3.596 14.009 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.059 4.824 13.532 1.00 0.00 H new ATOM 1216 N SER A 76 -6.916 3.513 11.494 1.00 0.00 N ATOM 1217 CA SER A 76 -6.033 4.050 10.474 1.00 0.00 C ATOM 1218 C SER A 76 -5.146 2.930 9.927 1.00 0.00 C ATOM 1219 O SER A 76 -5.111 1.823 10.451 1.00 0.00 O ATOM 1220 CB SER A 76 -5.165 5.165 11.061 1.00 0.00 C ATOM 1221 OG SER A 76 -5.949 6.246 11.497 1.00 0.00 O ATOM 0 H SER A 76 -6.723 2.557 11.793 1.00 0.00 H new ATOM 0 HA SER A 76 -6.632 4.465 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.583 4.775 11.896 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.454 5.508 10.310 1.00 0.00 H new ATOM 0 HG SER A 76 -6.841 6.186 11.095 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.441 3.291 8.840 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.579 2.312 8.215 1.00 0.00 C ATOM 1229 C LEU A 77 -2.855 1.460 9.259 1.00 0.00 C ATOM 1230 O LEU A 77 -2.794 0.243 9.155 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.560 3.033 7.351 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.178 3.496 6.038 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -3.530 2.322 5.140 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.428 4.341 6.223 1.00 0.00 C ATOM 0 H LEU A 77 -4.457 4.213 8.403 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.192 1.648 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.164 3.892 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.719 2.370 7.146 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.410 4.113 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.968 2.692 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.628 1.754 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.247 1.677 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.815 4.636 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.184 3.762 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.183 5.232 6.801 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.295 2.152 10.263 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.517 1.355 11.191 1.00 0.00 C ATOM 1248 C ASN A 78 -2.343 0.179 11.699 1.00 0.00 C ATOM 1249 O ASN A 78 -1.915 -0.970 11.681 1.00 0.00 O ATOM 1250 CB ASN A 78 -1.073 2.189 12.385 1.00 0.00 C ATOM 1251 CG ASN A 78 -2.276 2.839 13.069 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -2.793 3.859 12.633 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -2.670 2.185 14.176 1.00 0.00 N ATOM 0 H ASN A 78 -2.358 3.155 10.437 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.639 0.991 10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.541 1.559 13.097 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.375 2.959 12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.457 2.535 14.722 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.182 1.339 14.470 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.548 0.547 12.158 1.00 0.00 N ATOM 1261 CA GLU A 79 -4.397 -0.513 12.672 1.00 0.00 C ATOM 1262 C GLU A 79 -4.796 -1.535 11.575 1.00 0.00 C ATOM 1263 O GLU A 79 -5.250 -2.635 11.871 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.633 0.112 13.317 1.00 0.00 C ATOM 1265 CG GLU A 79 -6.574 -0.944 13.894 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.861 -1.726 14.999 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -4.933 -2.471 14.686 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -6.242 -1.585 16.159 1.00 0.00 O ATOM 0 H GLU A 79 -3.927 1.494 12.182 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.835 -1.074 13.418 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.323 0.793 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.167 0.707 12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.469 -0.467 14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.899 -1.624 13.106 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.592 -1.114 10.309 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.869 -1.973 9.173 1.00 0.00 C ATOM 1277 C LEU A 80 -3.662 -2.890 8.954 1.00 0.00 C ATOM 1278 O LEU A 80 -3.695 -4.088 9.207 1.00 0.00 O ATOM 1279 CB LEU A 80 -5.095 -1.059 7.965 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.656 -1.735 6.714 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.962 -0.652 5.688 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.688 -2.750 6.108 1.00 0.00 C ATOM 0 H LEU A 80 -4.239 -0.189 10.064 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.749 -2.597 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.776 -0.261 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.146 -0.589 7.706 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.554 -2.284 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.364 -1.110 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.694 0.043 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.047 -0.112 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.138 -3.199 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.762 -2.248 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.472 -3.529 6.840 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.596 -2.218 8.485 1.00 0.00 N ATOM 1295 CA VAL A 81 -1.318 -2.887 8.331 1.00 0.00 C ATOM 1296 C VAL A 81 -1.090 -3.910 9.452 1.00 0.00 C ATOM 1297 O VAL A 81 -0.529 -4.978 9.239 1.00 0.00 O ATOM 1298 CB VAL A 81 -0.218 -1.824 8.373 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.172 -2.453 8.266 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.428 -0.786 7.270 1.00 0.00 C ATOM 0 H VAL A 81 -2.604 -1.234 8.215 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.303 -3.424 7.383 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.280 -1.321 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.929 -1.670 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.325 -3.141 9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.254 -2.997 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.365 -0.039 7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.405 -1.278 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.394 -0.299 7.407 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.544 -3.511 10.655 1.00 0.00 N ATOM 1311 CA ASP A 82 -1.263 -4.346 11.807 1.00 0.00 C ATOM 1312 C ASP A 82 -2.078 -5.640 11.755 1.00 0.00 C ATOM 1313 O ASP A 82 -1.553 -6.736 11.903 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.584 -3.576 13.089 1.00 0.00 C ATOM 1315 CG ASP A 82 -1.254 -4.438 14.309 1.00 0.00 C ATOM 1316 OD1 ASP A 82 -0.308 -5.222 14.235 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -1.949 -4.321 15.317 1.00 0.00 O ATOM 0 H ASP A 82 -2.077 -2.661 10.838 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.205 -4.610 11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.010 -2.650 13.121 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.638 -3.299 13.103 1.00 0.00 H new ATOM 1322 N TYR A 83 -3.391 -5.439 11.546 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.260 -6.601 11.555 1.00 0.00 C ATOM 1324 C TYR A 83 -4.158 -7.361 10.228 1.00 0.00 C ATOM 1325 O TYR A 83 -5.148 -7.822 9.673 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.704 -6.163 11.813 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.914 -5.604 13.196 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -4.868 -5.643 14.190 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -7.188 -5.026 13.538 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -5.096 -5.115 15.509 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.419 -4.495 14.856 1.00 0.00 C ATOM 1332 CZ TYR A 83 -6.372 -4.542 15.840 1.00 0.00 C ATOM 1333 OH TYR A 83 -6.593 -4.034 17.105 1.00 0.00 O ATOM 0 H TYR A 83 -3.841 -4.539 11.380 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.945 -7.272 12.354 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.986 -5.410 11.077 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.367 -7.016 11.668 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.908 -6.071 13.942 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.976 -4.991 12.800 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.310 -5.149 16.249 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.377 -4.062 15.105 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.476 -3.061 17.092 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.897 -7.469 9.773 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.657 -8.244 8.566 1.00 0.00 C ATOM 1345 C HIS A 84 -1.241 -8.847 8.529 1.00 0.00 C ATOM 1346 O HIS A 84 -0.998 -9.817 7.821 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.883 -7.378 7.326 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.342 -7.002 7.239 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.826 -5.778 7.532 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -5.415 -7.822 6.850 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.152 -5.849 7.327 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.538 -7.070 6.914 1.00 0.00 N ATOM 0 H HIS A 84 -2.073 -7.049 10.204 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.367 -9.071 8.572 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.267 -6.480 7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.581 -7.920 6.430 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.295 -4.965 7.845 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.354 -8.859 6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.830 -5.022 7.476 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.325 -8.247 9.316 1.00 0.00 N ATOM 1361 CA ARG A 85 1.011 -8.810 9.327 1.00 0.00 C ATOM 1362 C ARG A 85 1.045 -10.112 10.142 1.00 0.00 C ATOM 1363 O ARG A 85 1.995 -10.389 10.864 1.00 0.00 O ATOM 1364 CB ARG A 85 1.996 -7.800 9.914 1.00 0.00 C ATOM 1365 CG ARG A 85 1.708 -7.491 11.384 1.00 0.00 C ATOM 1366 CD ARG A 85 2.819 -6.643 12.007 1.00 0.00 C ATOM 1367 NE ARG A 85 2.956 -5.385 11.289 1.00 0.00 N ATOM 1368 CZ ARG A 85 2.446 -4.240 11.788 1.00 0.00 C ATOM 1369 NH1 ARG A 85 1.805 -4.223 12.952 1.00 0.00 N ATOM 1370 NH2 ARG A 85 2.590 -3.109 11.102 1.00 0.00 N ATOM 0 H ARG A 85 -0.480 -7.431 9.908 1.00 0.00 H new ATOM 0 HA ARG A 85 1.299 -9.038 8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.010 -8.188 9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.953 -6.877 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.757 -6.964 11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.605 -8.423 11.940 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.593 -6.449 13.055 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.762 -7.190 11.980 1.00 0.00 H new ATOM 0 HE ARG A 85 3.445 -5.368 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.692 -5.086 13.484 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.426 -3.347 13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.082 -3.114 10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.208 -2.237 11.470 1.00 0.00 H new ATOM 1384 N SER A 86 -0.044 -10.886 9.978 1.00 0.00 N ATOM 1385 CA SER A 86 -0.097 -12.158 10.672 1.00 0.00 C ATOM 1386 C SER A 86 0.008 -13.300 9.658 1.00 0.00 C ATOM 1387 O SER A 86 0.754 -14.256 9.835 1.00 0.00 O ATOM 1388 CB SER A 86 -1.406 -12.266 11.456 1.00 0.00 C ATOM 1389 OG SER A 86 -1.517 -11.217 12.383 1.00 0.00 O ATOM 0 H SER A 86 -0.853 -10.659 9.400 1.00 0.00 H new ATOM 0 HA SER A 86 0.737 -12.225 11.370 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.251 -12.241 10.768 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.447 -13.223 11.976 1.00 0.00 H new ATOM 0 HG SER A 86 -2.361 -11.302 12.874 1.00 0.00 H new ATOM 1395 N THR A 87 -0.784 -13.128 8.582 1.00 0.00 N ATOM 1396 CA THR A 87 -0.738 -14.131 7.537 1.00 0.00 C ATOM 1397 C THR A 87 -1.505 -13.640 6.306 1.00 0.00 C ATOM 1398 O THR A 87 -2.729 -13.608 6.270 1.00 0.00 O ATOM 1399 CB THR A 87 -1.317 -15.447 8.061 1.00 0.00 C ATOM 1400 OG1 THR A 87 -1.271 -16.417 7.045 1.00 0.00 O ATOM 1401 CG2 THR A 87 -2.756 -15.296 8.558 1.00 0.00 C ATOM 0 H THR A 87 -1.423 -12.348 8.429 1.00 0.00 H new ATOM 0 HA THR A 87 0.297 -14.305 7.242 1.00 0.00 H new ATOM 0 HB THR A 87 -0.709 -15.755 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.640 -17.260 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.119 -16.258 8.919 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.786 -14.569 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.389 -14.953 7.740 1.00 0.00 H new ATOM 1409 N SER A 88 -0.692 -13.272 5.299 1.00 0.00 N ATOM 1410 CA SER A 88 -1.284 -12.839 4.048 1.00 0.00 C ATOM 1411 C SER A 88 -2.283 -11.706 4.292 1.00 0.00 C ATOM 1412 O SER A 88 -2.717 -11.451 5.408 1.00 0.00 O ATOM 1413 CB SER A 88 -1.978 -14.019 3.368 1.00 0.00 C ATOM 1414 OG SER A 88 -2.525 -13.625 2.135 1.00 0.00 O ATOM 0 H SER A 88 0.327 -13.268 5.333 1.00 0.00 H new ATOM 0 HA SER A 88 -0.494 -12.466 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.264 -14.828 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.765 -14.407 4.014 1.00 0.00 H new ATOM 0 HG SER A 88 -2.964 -14.392 1.712 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.604 -11.048 3.164 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.541 -9.943 3.255 1.00 0.00 C ATOM 1422 C VAL A 89 -4.436 -9.909 2.010 1.00 0.00 C ATOM 1423 O VAL A 89 -4.708 -8.859 1.442 1.00 0.00 O ATOM 1424 CB VAL A 89 -2.765 -8.632 3.401 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.923 -8.353 2.155 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -3.702 -7.460 3.698 1.00 0.00 C ATOM 0 H VAL A 89 -2.245 -11.255 2.232 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.179 -10.075 4.129 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.090 -8.741 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.381 -7.416 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.212 -9.166 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.575 -8.278 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.119 -6.544 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.417 -7.350 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.239 -7.650 4.628 1.00 0.00 H new ATOM 1436 N SER A 90 -4.870 -11.125 1.624 1.00 0.00 N ATOM 1437 CA SER A 90 -5.727 -11.195 0.455 1.00 0.00 C ATOM 1438 C SER A 90 -6.183 -12.645 0.224 1.00 0.00 C ATOM 1439 O SER A 90 -7.099 -13.138 0.870 1.00 0.00 O ATOM 1440 CB SER A 90 -4.990 -10.626 -0.762 1.00 0.00 C ATOM 1441 OG SER A 90 -5.821 -10.641 -1.894 1.00 0.00 O ATOM 0 H SER A 90 -4.652 -12.012 2.079 1.00 0.00 H new ATOM 0 HA SER A 90 -6.620 -10.591 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.667 -9.606 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.091 -11.211 -0.956 1.00 0.00 H new ATOM 0 HG SER A 90 -5.335 -10.273 -2.661 1.00 0.00 H new ATOM 1502 N GLN A 94 0.333 -16.161 1.333 1.00 0.00 N ATOM 1503 CA GLN A 94 1.512 -15.750 2.070 1.00 0.00 C ATOM 1504 C GLN A 94 1.974 -14.373 1.588 1.00 0.00 C ATOM 1505 O GLN A 94 2.827 -14.243 0.717 1.00 0.00 O ATOM 1506 CB GLN A 94 2.625 -16.778 1.871 1.00 0.00 C ATOM 1507 CG GLN A 94 3.881 -16.419 2.664 1.00 0.00 C ATOM 1508 CD GLN A 94 4.968 -17.468 2.420 1.00 0.00 C ATOM 1509 OE1 GLN A 94 4.777 -18.658 2.631 1.00 0.00 O ATOM 1510 NE2 GLN A 94 6.115 -16.938 1.958 1.00 0.00 N ATOM 0 HA GLN A 94 1.270 -15.687 3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.270 -17.761 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.872 -16.845 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.241 -15.434 2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.647 -16.365 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.188 -15.931 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.911 -17.543 1.756 1.00 0.00 H new ATOM 1519 N ILE A 95 1.361 -13.362 2.228 1.00 0.00 N ATOM 1520 CA ILE A 95 1.732 -11.999 1.897 1.00 0.00 C ATOM 1521 C ILE A 95 1.965 -11.200 3.183 1.00 0.00 C ATOM 1522 O ILE A 95 1.118 -11.138 4.067 1.00 0.00 O ATOM 1523 CB ILE A 95 0.624 -11.350 1.067 1.00 0.00 C ATOM 1524 CG1 ILE A 95 0.330 -12.178 -0.184 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.998 -9.916 0.691 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -0.799 -11.568 -1.015 1.00 0.00 C ATOM 0 H ILE A 95 0.641 -13.465 2.943 1.00 0.00 H new ATOM 0 HA ILE A 95 2.653 -12.006 1.314 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.281 -11.317 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.231 -12.250 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.060 -13.193 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.196 -9.474 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.148 -9.329 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.918 -9.921 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.978 -12.186 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.708 -11.520 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.518 -10.563 -1.328 1.00 0.00 H new ATOM 1538 N PHE A 96 3.169 -10.602 3.226 1.00 0.00 N ATOM 1539 CA PHE A 96 3.506 -9.827 4.405 1.00 0.00 C ATOM 1540 C PHE A 96 3.825 -8.385 4.005 1.00 0.00 C ATOM 1541 O PHE A 96 4.373 -8.115 2.942 1.00 0.00 O ATOM 1542 CB PHE A 96 4.710 -10.451 5.111 1.00 0.00 C ATOM 1543 CG PHE A 96 4.442 -11.873 5.503 1.00 0.00 C ATOM 1544 CD1 PHE A 96 3.698 -12.169 6.701 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.928 -12.954 4.685 1.00 0.00 C ATOM 1546 CE1 PHE A 96 3.442 -13.535 7.078 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.674 -14.320 5.059 1.00 0.00 C ATOM 1548 CZ PHE A 96 3.930 -14.610 6.255 1.00 0.00 C ATOM 0 H PHE A 96 3.881 -10.642 2.497 1.00 0.00 H new ATOM 0 HA PHE A 96 2.656 -9.827 5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.579 -10.411 4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.955 -9.868 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 96 3.331 -11.363 7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.486 -12.738 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 96 2.885 -13.752 7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 96 5.042 -15.127 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.737 -15.635 6.536 1.00 0.00 H new ATOM 1558 N LEU A 97 3.443 -7.482 4.926 1.00 0.00 N ATOM 1559 CA LEU A 97 3.723 -6.084 4.661 1.00 0.00 C ATOM 1560 C LEU A 97 5.100 -5.723 5.225 1.00 0.00 C ATOM 1561 O LEU A 97 5.302 -5.607 6.428 1.00 0.00 O ATOM 1562 CB LEU A 97 2.634 -5.206 5.281 1.00 0.00 C ATOM 1563 CG LEU A 97 1.248 -5.542 4.725 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.165 -4.702 5.406 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.209 -5.341 3.210 1.00 0.00 C ATOM 0 H LEU A 97 2.969 -7.688 5.805 1.00 0.00 H new ATOM 0 HA LEU A 97 3.729 -5.910 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.633 -5.338 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.859 -4.157 5.088 1.00 0.00 H new ATOM 0 HG LEU A 97 1.047 -6.592 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.810 -4.961 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.169 -4.902 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.363 -3.644 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.215 -5.586 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.440 -4.302 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.945 -5.992 2.738 1.00 0.00 H new ATOM 1577 N ARG A 98 6.024 -5.564 4.260 1.00 0.00 N ATOM 1578 CA ARG A 98 7.403 -5.295 4.620 1.00 0.00 C ATOM 1579 C ARG A 98 8.191 -5.094 3.318 1.00 0.00 C ATOM 1580 O ARG A 98 7.618 -4.837 2.265 1.00 0.00 O ATOM 1581 CB ARG A 98 7.901 -6.491 5.445 1.00 0.00 C ATOM 1582 CG ARG A 98 9.241 -6.274 6.155 1.00 0.00 C ATOM 1583 CD ARG A 98 9.427 -7.267 7.303 1.00 0.00 C ATOM 1584 NE ARG A 98 10.707 -7.050 7.949 1.00 0.00 N ATOM 1585 CZ ARG A 98 11.240 -8.048 8.680 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.600 -9.207 8.802 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.414 -7.874 9.282 1.00 0.00 N ATOM 0 H ARG A 98 5.837 -5.617 3.259 1.00 0.00 H new ATOM 0 HA ARG A 98 7.525 -4.396 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.147 -6.737 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.991 -7.355 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.056 -6.384 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.290 -5.256 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.621 -7.151 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.371 -8.287 6.924 1.00 0.00 H new ATOM 0 HE ARG A 98 11.194 -6.159 7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.701 -9.344 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.008 -9.959 9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.908 -6.986 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.820 -8.628 9.836 1.00 0.00 H new ATOM 1601 N ASP A 99 9.518 -5.267 3.460 1.00 0.00 N ATOM 1602 CA ASP A 99 10.365 -5.520 2.306 1.00 0.00 C ATOM 1603 C ASP A 99 10.714 -4.242 1.540 1.00 0.00 C ATOM 1604 O ASP A 99 11.798 -4.118 0.982 1.00 0.00 O ATOM 1605 CB ASP A 99 9.688 -6.521 1.368 1.00 0.00 C ATOM 1606 CG ASP A 99 10.624 -6.844 0.202 1.00 0.00 C ATOM 1607 OD1 ASP A 99 11.803 -6.504 0.284 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.162 -7.431 -0.776 1.00 0.00 O ATOM 0 H ASP A 99 10.010 -5.235 4.353 1.00 0.00 H new ATOM 0 HA ASP A 99 11.300 -5.936 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.439 -7.433 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.752 -6.108 0.993 1.00 0.00 H new ATOM 1613 N ILE A 100 9.744 -3.313 1.524 1.00 0.00 N ATOM 1614 CA ILE A 100 9.970 -2.176 0.651 1.00 0.00 C ATOM 1615 C ILE A 100 11.095 -1.250 1.151 1.00 0.00 C ATOM 1616 O ILE A 100 11.163 -0.087 0.772 1.00 0.00 O ATOM 1617 CB ILE A 100 8.682 -1.375 0.501 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.724 -0.549 -0.782 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.475 -0.483 1.724 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.427 0.217 -1.016 1.00 0.00 C ATOM 0 H ILE A 100 8.874 -3.325 2.057 1.00 0.00 H new ATOM 0 HA ILE A 100 10.285 -2.576 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 100 7.838 -2.061 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.555 0.154 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.913 -1.207 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.552 0.085 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.410 -1.102 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.315 0.205 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.504 0.790 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.598 -0.486 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.250 0.896 -0.182 1.00 0.00 H new ATOM 1632 N GLU A 101 11.961 -1.810 2.015 1.00 0.00 N ATOM 1633 CA GLU A 101 12.980 -0.963 2.588 1.00 0.00 C ATOM 1634 C GLU A 101 14.311 -1.723 2.640 1.00 0.00 C ATOM 1635 O GLU A 101 15.016 -1.861 1.647 1.00 0.00 O ATOM 1636 CB GLU A 101 12.494 -0.492 3.959 1.00 0.00 C ATOM 1637 CG GLU A 101 13.471 0.492 4.590 1.00 0.00 C ATOM 1638 CD GLU A 101 12.995 0.887 5.990 1.00 0.00 C ATOM 1639 OE1 GLU A 101 11.823 0.670 6.292 1.00 0.00 O ATOM 1640 OE2 GLU A 101 13.802 1.402 6.761 1.00 0.00 O ATOM 0 H GLU A 101 11.968 -2.787 2.308 1.00 0.00 H new ATOM 0 HA GLU A 101 13.158 -0.078 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.516 -0.021 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.367 -1.352 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.463 0.044 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.559 1.380 3.964 1.00 0.00 H new