USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 805 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 92 TYR OH : rot 138:sc= -3.02! USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -2.97! C(o=-3.7!,f=-5.9!) USER MOD Set 2.2: A 39 THR OG1 : rot -120:sc= -0.748 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -24:sc= 0.65 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.087) USER MOD Single : A 23 MET CE :methyl 143:sc= -4.51! (180deg=-6.78!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.447 K(o=-0.45,f=-4.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 30 ASN : amide:sc= -0.711 K(o=-0.71,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 126:sc= 0.655 USER MOD Single : A 55 SER OG : rot -160:sc= -0.836 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.765) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=0.52) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.838 (180deg=-1.42) USER MOD Single : A 64 HIS : no HD1:sc= -0.541 K(o=-0.54,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0536 X(o=-0.054,f=-0.44) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -46:sc= 0.565 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 72:sc= 1.13 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.6!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.02! C(o=-5!,f=-9.8!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.38) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.818 -11.324 -9.280 1.00 0.00 N ATOM 117 CA ILE A 11 2.003 -9.923 -9.639 1.00 0.00 C ATOM 118 C ILE A 11 3.302 -9.374 -9.060 1.00 0.00 C ATOM 119 O ILE A 11 3.737 -9.784 -7.984 1.00 0.00 O ATOM 120 CB ILE A 11 0.829 -9.057 -9.148 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.492 -9.573 -9.724 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.047 -7.600 -9.533 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.714 -8.960 -9.079 1.00 0.00 C ATOM 0 HA ILE A 11 2.046 -9.879 -10.727 1.00 0.00 H new ATOM 0 HB ILE A 11 0.780 -9.123 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.516 -9.370 -10.795 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.533 -10.656 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.208 -7.001 -9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.969 -7.238 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.120 -7.517 -10.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.613 -9.372 -9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.714 -9.185 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.697 -7.879 -9.221 1.00 0.00 H new ATOM 135 N ASP A 12 3.917 -8.443 -9.781 1.00 0.00 N ATOM 136 CA ASP A 12 5.167 -7.834 -9.337 1.00 0.00 C ATOM 137 C ASP A 12 4.925 -6.427 -8.801 1.00 0.00 C ATOM 138 O ASP A 12 4.878 -5.460 -9.563 1.00 0.00 O ATOM 139 CB ASP A 12 6.173 -7.789 -10.489 1.00 0.00 C ATOM 140 CG ASP A 12 7.578 -7.474 -10.017 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.829 -7.566 -8.797 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.427 -7.132 -10.866 1.00 0.00 O ATOM 0 H ASP A 12 3.571 -8.093 -10.675 1.00 0.00 H new ATOM 0 HA ASP A 12 5.575 -8.445 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.173 -8.749 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.859 -7.037 -11.213 1.00 0.00 H new ATOM 147 N TYR A 13 4.771 -6.319 -7.486 1.00 0.00 N ATOM 148 CA TYR A 13 4.531 -5.031 -6.848 1.00 0.00 C ATOM 149 C TYR A 13 5.826 -4.235 -6.721 1.00 0.00 C ATOM 150 O TYR A 13 5.812 -3.005 -6.667 1.00 0.00 O ATOM 151 CB TYR A 13 3.904 -5.230 -5.468 1.00 0.00 C ATOM 152 CG TYR A 13 2.818 -6.282 -5.441 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.798 -6.277 -6.384 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.813 -7.279 -4.474 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.803 -7.236 -6.364 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.823 -8.242 -4.447 1.00 0.00 C ATOM 157 CZ TYR A 13 0.820 -8.216 -5.394 1.00 0.00 C ATOM 158 OH TYR A 13 -0.168 -9.173 -5.369 1.00 0.00 O ATOM 0 H TYR A 13 4.808 -7.109 -6.841 1.00 0.00 H new ATOM 0 HA TYR A 13 3.840 -4.468 -7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.685 -5.508 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.488 -4.282 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.782 -5.511 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.596 -7.302 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.017 -7.218 -7.104 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.834 -9.011 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.008 -9.789 -4.624 1.00 0.00 H new ATOM 168 N THR A 14 6.948 -4.947 -6.675 1.00 0.00 N ATOM 169 CA THR A 14 8.253 -4.310 -6.554 1.00 0.00 C ATOM 170 C THR A 14 8.741 -3.795 -7.903 1.00 0.00 C ATOM 171 O THR A 14 9.890 -3.377 -8.041 1.00 0.00 O ATOM 172 CB THR A 14 9.302 -5.282 -5.979 1.00 0.00 C ATOM 173 OG1 THR A 14 9.529 -6.357 -6.898 1.00 0.00 O ATOM 174 CG2 THR A 14 8.845 -5.840 -4.640 1.00 0.00 C ATOM 0 H THR A 14 6.979 -5.966 -6.720 1.00 0.00 H new ATOM 0 HA THR A 14 8.132 -3.470 -5.869 1.00 0.00 H new ATOM 0 HB THR A 14 10.231 -4.732 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.741 -6.471 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.601 -6.523 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.701 -5.021 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.905 -6.376 -4.771 1.00 0.00 H new ATOM 182 N ALA A 15 7.860 -3.827 -8.898 1.00 0.00 N ATOM 183 CA ALA A 15 8.200 -3.361 -10.236 1.00 0.00 C ATOM 184 C ALA A 15 7.640 -1.966 -10.490 1.00 0.00 C ATOM 185 O ALA A 15 8.129 -1.237 -11.354 1.00 0.00 O ATOM 186 CB ALA A 15 7.684 -4.337 -11.283 1.00 0.00 C ATOM 0 H ALA A 15 6.905 -4.171 -8.802 1.00 0.00 H new ATOM 0 HA ALA A 15 9.286 -3.308 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.945 -3.976 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.136 -5.316 -11.122 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.600 -4.420 -11.200 1.00 0.00 H new ATOM 192 N TYR A 16 6.612 -1.599 -9.733 1.00 0.00 N ATOM 193 CA TYR A 16 5.983 -0.291 -9.879 1.00 0.00 C ATOM 194 C TYR A 16 6.792 0.784 -9.161 1.00 0.00 C ATOM 195 O TYR A 16 7.496 0.521 -8.186 1.00 0.00 O ATOM 196 CB TYR A 16 4.556 -0.325 -9.329 1.00 0.00 C ATOM 197 CG TYR A 16 3.591 -1.103 -10.196 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.051 -0.540 -11.345 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.219 -2.399 -9.864 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.169 -1.247 -12.140 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.338 -3.113 -10.653 1.00 0.00 C ATOM 202 CZ TYR A 16 1.816 -2.533 -11.789 1.00 0.00 C ATOM 203 OH TYR A 16 0.937 -3.240 -12.578 1.00 0.00 O ATOM 0 H TYR A 16 6.196 -2.189 -9.012 1.00 0.00 H new ATOM 0 HA TYR A 16 5.950 -0.047 -10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.570 -0.764 -8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.192 0.697 -9.222 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.325 0.467 -11.622 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.625 -2.856 -8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.759 -0.795 -13.031 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.060 -4.120 -10.381 1.00 0.00 H new ATOM 0 HH TYR A 16 0.794 -4.129 -12.192 1.00 0.00 H new ATOM 213 N PRO A 17 6.688 2.028 -9.653 1.00 0.00 N ATOM 214 CA PRO A 17 7.401 3.170 -9.074 1.00 0.00 C ATOM 215 C PRO A 17 6.854 3.561 -7.705 1.00 0.00 C ATOM 216 O PRO A 17 7.581 4.092 -6.865 1.00 0.00 O ATOM 217 CB PRO A 17 7.157 4.291 -10.088 1.00 0.00 C ATOM 218 CG PRO A 17 5.885 3.918 -10.768 1.00 0.00 C ATOM 219 CD PRO A 17 5.866 2.414 -10.812 1.00 0.00 C ATOM 0 HA PRO A 17 8.455 2.950 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.073 5.259 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.979 4.366 -10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.023 4.304 -10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.841 4.339 -11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.852 2.023 -10.733 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.283 2.034 -11.745 1.00 0.00 H new ATOM 227 N TRP A 18 5.571 3.297 -7.488 1.00 0.00 N ATOM 228 CA TRP A 18 4.928 3.620 -6.220 1.00 0.00 C ATOM 229 C TRP A 18 5.258 2.576 -5.159 1.00 0.00 C ATOM 230 O TRP A 18 4.642 2.544 -4.094 1.00 0.00 O ATOM 231 CB TRP A 18 3.413 3.718 -6.403 1.00 0.00 C ATOM 232 CG TRP A 18 2.850 2.639 -7.279 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.399 2.776 -8.561 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.676 1.261 -6.935 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.955 1.565 -9.035 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.116 0.619 -8.056 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.942 0.505 -5.790 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.816 -0.741 -8.064 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.644 -0.844 -5.798 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.086 -1.457 -6.929 1.00 0.00 C ATOM 0 H TRP A 18 4.955 2.860 -8.174 1.00 0.00 H new ATOM 0 HA TRP A 18 5.310 4.584 -5.884 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.932 3.671 -5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.168 4.690 -6.832 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.392 3.700 -9.120 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.569 1.397 -9.964 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.373 0.967 -4.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.386 -1.214 -8.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.844 -1.437 -4.918 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.865 -2.514 -6.904 1.00 0.00 H new ATOM 251 N PHE A 19 6.233 1.723 -5.458 1.00 0.00 N ATOM 252 CA PHE A 19 6.644 0.678 -4.529 1.00 0.00 C ATOM 253 C PHE A 19 7.812 1.145 -3.666 1.00 0.00 C ATOM 254 O PHE A 19 8.765 1.744 -4.162 1.00 0.00 O ATOM 255 CB PHE A 19 7.035 -0.588 -5.295 1.00 0.00 C ATOM 256 CG PHE A 19 7.861 -1.547 -4.485 1.00 0.00 C ATOM 257 CD1 PHE A 19 9.239 -1.417 -4.427 1.00 0.00 C ATOM 258 CD2 PHE A 19 7.260 -2.579 -3.782 1.00 0.00 C ATOM 259 CE1 PHE A 19 10.002 -2.298 -3.684 1.00 0.00 C ATOM 260 CE2 PHE A 19 8.017 -3.461 -3.036 1.00 0.00 C ATOM 261 CZ PHE A 19 9.390 -3.321 -2.988 1.00 0.00 C ATOM 0 H PHE A 19 6.752 1.736 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 19 5.800 0.454 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.130 -1.094 -5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.592 -0.305 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.723 -0.618 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.187 -2.695 -3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.076 -2.186 -3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.536 -4.259 -2.491 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.984 -4.011 -2.407 1.00 0.00 H new ATOM 271 N ALA A 20 7.729 0.866 -2.369 1.00 0.00 N ATOM 272 CA ALA A 20 8.778 1.256 -1.435 1.00 0.00 C ATOM 273 C ALA A 20 9.445 0.031 -0.815 1.00 0.00 C ATOM 274 O ALA A 20 10.671 -0.060 -0.764 1.00 0.00 O ATOM 275 CB ALA A 20 8.211 2.156 -0.348 1.00 0.00 C ATOM 0 H ALA A 20 6.946 0.371 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 20 9.536 1.809 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.006 2.439 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.788 3.052 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.432 1.623 0.196 1.00 0.00 H new ATOM 281 N GLY A 21 8.629 -0.907 -0.345 1.00 0.00 N ATOM 282 CA GLY A 21 9.158 -2.113 0.265 1.00 0.00 C ATOM 283 C GLY A 21 9.359 -1.965 1.760 1.00 0.00 C ATOM 284 O GLY A 21 8.521 -1.387 2.451 1.00 0.00 O ATOM 0 H GLY A 21 7.611 -0.853 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.477 -2.942 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.109 -2.366 -0.203 1.00 0.00 H new ATOM 288 N ASN A 22 10.473 -2.490 2.260 1.00 0.00 N ATOM 289 CA ASN A 22 10.780 -2.416 3.684 1.00 0.00 C ATOM 290 C ASN A 22 11.046 -0.975 4.108 1.00 0.00 C ATOM 291 O ASN A 22 12.196 -0.565 4.267 1.00 0.00 O ATOM 292 CB ASN A 22 11.994 -3.287 4.011 1.00 0.00 C ATOM 293 CG ASN A 22 13.040 -3.257 2.914 1.00 0.00 C ATOM 294 OD1 ASN A 22 13.377 -2.194 2.392 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.560 -4.426 2.558 1.00 0.00 N ATOM 0 H ASN A 22 11.178 -2.971 1.701 1.00 0.00 H new ATOM 0 HA ASN A 22 9.916 -2.786 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.441 -2.946 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.668 -4.315 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.268 -4.467 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.251 -5.283 3.018 1.00 0.00 H new ATOM 302 N MET A 23 9.974 -0.210 4.292 1.00 0.00 N ATOM 303 CA MET A 23 10.092 1.185 4.700 1.00 0.00 C ATOM 304 C MET A 23 9.956 1.322 6.213 1.00 0.00 C ATOM 305 O MET A 23 9.416 0.439 6.879 1.00 0.00 O ATOM 306 CB MET A 23 9.029 2.034 4.001 1.00 0.00 C ATOM 307 CG MET A 23 9.461 3.472 3.761 1.00 0.00 C ATOM 308 SD MET A 23 10.232 3.705 2.147 1.00 0.00 S ATOM 309 CE MET A 23 9.154 4.943 1.433 1.00 0.00 C ATOM 0 H MET A 23 9.015 -0.533 4.165 1.00 0.00 H new ATOM 0 HA MET A 23 11.080 1.541 4.409 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.779 1.574 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.120 2.032 4.603 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.593 4.127 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.161 3.772 4.541 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.744 5.640 0.838 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.415 4.458 0.796 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.646 5.486 2.230 1.00 0.00 H new ATOM 319 N GLU A 24 10.448 2.435 6.749 1.00 0.00 N ATOM 320 CA GLU A 24 10.380 2.685 8.185 1.00 0.00 C ATOM 321 C GLU A 24 9.349 3.764 8.501 1.00 0.00 C ATOM 322 O GLU A 24 9.387 4.859 7.937 1.00 0.00 O ATOM 323 CB GLU A 24 11.753 3.104 8.716 1.00 0.00 C ATOM 324 CG GLU A 24 12.703 1.938 8.934 1.00 0.00 C ATOM 325 CD GLU A 24 13.748 2.228 9.993 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.549 3.166 9.796 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.766 1.517 11.019 1.00 0.00 O ATOM 0 H GLU A 24 10.897 3.177 6.212 1.00 0.00 H new ATOM 0 HA GLU A 24 10.074 1.761 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.206 3.805 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.622 3.636 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.131 1.057 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.200 1.699 7.994 1.00 0.00 H new ATOM 334 N ARG A 25 8.428 3.447 9.405 1.00 0.00 N ATOM 335 CA ARG A 25 7.385 4.388 9.795 1.00 0.00 C ATOM 336 C ARG A 25 7.908 5.822 9.769 1.00 0.00 C ATOM 337 O ARG A 25 7.268 6.716 9.218 1.00 0.00 O ATOM 338 CB ARG A 25 6.860 4.051 11.192 1.00 0.00 C ATOM 339 CG ARG A 25 5.705 3.063 11.186 1.00 0.00 C ATOM 340 CD ARG A 25 4.417 3.714 10.709 1.00 0.00 C ATOM 341 NE ARG A 25 3.724 4.411 11.789 1.00 0.00 N ATOM 342 CZ ARG A 25 3.148 3.791 12.813 1.00 0.00 C ATOM 343 NH1 ARG A 25 3.183 2.468 12.896 1.00 0.00 N ATOM 344 NH2 ARG A 25 2.535 4.494 13.757 1.00 0.00 N ATOM 0 H ARG A 25 8.383 2.546 9.881 1.00 0.00 H new ATOM 0 HA ARG A 25 6.569 4.304 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.675 3.641 11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.538 4.970 11.682 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.949 2.220 10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.562 2.663 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.642 4.419 9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.760 2.953 10.289 1.00 0.00 H new ATOM 0 HE ARG A 25 3.680 5.429 11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.653 1.924 12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.740 1.995 13.683 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.506 5.512 13.697 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.093 4.017 14.543 1.00 0.00 H new ATOM 358 N GLN A 26 9.075 6.031 10.370 1.00 0.00 N ATOM 359 CA GLN A 26 9.684 7.355 10.417 1.00 0.00 C ATOM 360 C GLN A 26 10.095 7.815 9.022 1.00 0.00 C ATOM 361 O GLN A 26 9.775 8.928 8.607 1.00 0.00 O ATOM 362 CB GLN A 26 10.900 7.349 11.344 1.00 0.00 C ATOM 363 CG GLN A 26 11.995 6.389 10.905 1.00 0.00 C ATOM 364 CD GLN A 26 12.909 5.986 12.044 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.516 5.230 12.933 1.00 0.00 O ATOM 366 NE2 GLN A 26 14.138 6.489 12.024 1.00 0.00 N ATOM 0 H GLN A 26 9.618 5.301 10.831 1.00 0.00 H new ATOM 0 HA GLN A 26 8.944 8.054 10.807 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.312 8.357 11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.578 7.084 12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.540 5.496 10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.587 6.855 10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.422 7.112 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.798 6.252 12.765 1.00 0.00 H new ATOM 375 N GLN A 27 10.806 6.951 8.306 1.00 0.00 N ATOM 376 CA GLN A 27 11.262 7.270 6.957 1.00 0.00 C ATOM 377 C GLN A 27 10.100 7.738 6.087 1.00 0.00 C ATOM 378 O GLN A 27 10.184 8.772 5.424 1.00 0.00 O ATOM 379 CB GLN A 27 11.932 6.050 6.321 1.00 0.00 C ATOM 380 CG GLN A 27 12.208 6.214 4.836 1.00 0.00 C ATOM 381 CD GLN A 27 13.330 7.194 4.554 1.00 0.00 C ATOM 382 OE1 GLN A 27 13.686 8.009 5.406 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.894 7.120 3.354 1.00 0.00 N ATOM 0 H GLN A 27 11.079 6.025 8.636 1.00 0.00 H new ATOM 0 HA GLN A 27 11.989 8.079 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.871 5.851 6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.296 5.178 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.462 5.244 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.300 6.554 4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.567 6.429 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.654 7.754 3.108 1.00 0.00 H new ATOM 392 N THR A 28 9.016 6.969 6.091 1.00 0.00 N ATOM 393 CA THR A 28 7.837 7.303 5.301 1.00 0.00 C ATOM 394 C THR A 28 7.311 8.688 5.659 1.00 0.00 C ATOM 395 O THR A 28 7.079 9.521 4.782 1.00 0.00 O ATOM 396 CB THR A 28 6.713 6.270 5.504 1.00 0.00 C ATOM 397 OG1 THR A 28 7.242 4.943 5.401 1.00 0.00 O ATOM 398 CG2 THR A 28 5.610 6.463 4.474 1.00 0.00 C ATOM 0 H THR A 28 8.930 6.109 6.633 1.00 0.00 H new ATOM 0 HA THR A 28 8.144 7.293 4.255 1.00 0.00 H new ATOM 0 HB THR A 28 6.291 6.415 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.521 4.292 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.827 5.723 4.636 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.190 7.464 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.022 6.341 3.472 1.00 0.00 H new ATOM 406 N ASP A 29 7.124 8.930 6.952 1.00 0.00 N ATOM 407 CA ASP A 29 6.627 10.216 7.426 1.00 0.00 C ATOM 408 C ASP A 29 7.699 11.293 7.301 1.00 0.00 C ATOM 409 O ASP A 29 7.415 12.482 7.430 1.00 0.00 O ATOM 410 CB ASP A 29 6.165 10.103 8.880 1.00 0.00 C ATOM 411 CG ASP A 29 5.066 11.091 9.217 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.203 12.277 8.850 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.071 10.680 9.848 1.00 0.00 O ATOM 0 H ASP A 29 7.309 8.252 7.691 1.00 0.00 H new ATOM 0 HA ASP A 29 5.778 10.501 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.809 9.090 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.015 10.269 9.542 1.00 0.00 H new ATOM 418 N ASN A 30 8.933 10.867 7.051 1.00 0.00 N ATOM 419 CA ASN A 30 10.048 11.795 6.911 1.00 0.00 C ATOM 420 C ASN A 30 10.196 12.253 5.463 1.00 0.00 C ATOM 421 O ASN A 30 10.569 13.396 5.197 1.00 0.00 O ATOM 422 CB ASN A 30 11.347 11.140 7.385 1.00 0.00 C ATOM 423 CG ASN A 30 11.496 11.178 8.894 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.651 11.729 9.599 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.576 10.590 9.397 1.00 0.00 N ATOM 0 H ASN A 30 9.185 9.885 6.941 1.00 0.00 H new ATOM 0 HA ASN A 30 9.842 12.668 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.373 10.104 7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.195 11.648 6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.730 10.584 10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.251 10.145 8.775 1.00 0.00 H new ATOM 432 N LEU A 31 9.902 11.354 4.531 1.00 0.00 N ATOM 433 CA LEU A 31 10.002 11.664 3.109 1.00 0.00 C ATOM 434 C LEU A 31 8.672 12.182 2.570 1.00 0.00 C ATOM 435 O LEU A 31 8.639 13.031 1.679 1.00 0.00 O ATOM 436 CB LEU A 31 10.435 10.424 2.324 1.00 0.00 C ATOM 437 CG LEU A 31 9.377 9.332 2.157 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.576 9.557 0.885 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.028 7.957 2.145 1.00 0.00 C ATOM 0 H LEU A 31 9.592 10.404 4.734 1.00 0.00 H new ATOM 0 HA LEU A 31 10.753 12.444 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.761 10.741 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.302 9.989 2.820 1.00 0.00 H new ATOM 0 HG LEU A 31 8.694 9.380 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.828 8.771 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.080 10.526 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.245 9.536 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.261 7.192 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.734 7.896 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.557 7.797 3.085 1.00 0.00 H new ATOM 451 N LEU A 32 7.577 11.667 3.119 1.00 0.00 N ATOM 452 CA LEU A 32 6.243 12.078 2.695 1.00 0.00 C ATOM 453 C LEU A 32 5.965 13.523 3.098 1.00 0.00 C ATOM 454 O LEU A 32 5.563 14.343 2.272 1.00 0.00 O ATOM 455 CB LEU A 32 5.186 11.156 3.306 1.00 0.00 C ATOM 456 CG LEU A 32 4.980 9.815 2.602 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.778 9.085 3.182 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.809 10.018 1.103 1.00 0.00 C ATOM 0 H LEU A 32 7.587 10.964 3.858 1.00 0.00 H new ATOM 0 HA LEU A 32 6.196 12.007 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.458 10.961 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.234 11.687 3.320 1.00 0.00 H new ATOM 0 HG LEU A 32 5.866 9.202 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.648 8.133 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.940 8.904 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.884 9.694 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.664 9.052 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.941 10.651 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.700 10.497 0.697 1.00 0.00 H new ATOM 470 N LYS A 33 6.187 13.830 4.371 1.00 0.00 N ATOM 471 CA LYS A 33 5.964 15.177 4.884 1.00 0.00 C ATOM 472 C LYS A 33 6.358 16.225 3.847 1.00 0.00 C ATOM 473 O LYS A 33 5.635 17.198 3.628 1.00 0.00 O ATOM 474 CB LYS A 33 6.764 15.394 6.171 1.00 0.00 C ATOM 475 CG LYS A 33 8.260 15.524 5.944 1.00 0.00 C ATOM 476 CD LYS A 33 9.000 15.788 7.245 1.00 0.00 C ATOM 477 CE LYS A 33 10.315 16.512 7.000 1.00 0.00 C ATOM 478 NZ LYS A 33 10.116 17.976 6.817 1.00 0.00 N ATOM 0 H LYS A 33 6.521 13.164 5.067 1.00 0.00 H new ATOM 0 HA LYS A 33 4.901 15.285 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.401 16.294 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.579 14.560 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.640 14.611 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.453 16.336 5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.373 16.385 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.193 14.843 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.987 16.339 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.798 16.098 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.035 18.433 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.495 18.142 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.678 18.376 7.671 1.00 0.00 H new ATOM 492 N SER A 34 7.507 16.020 3.211 1.00 0.00 N ATOM 493 CA SER A 34 7.996 16.949 2.199 1.00 0.00 C ATOM 494 C SER A 34 7.117 16.908 0.953 1.00 0.00 C ATOM 495 O SER A 34 6.833 17.940 0.345 1.00 0.00 O ATOM 496 CB SER A 34 9.442 16.616 1.828 1.00 0.00 C ATOM 497 OG SER A 34 10.087 17.729 1.234 1.00 0.00 O ATOM 0 H SER A 34 8.116 15.219 3.378 1.00 0.00 H new ATOM 0 HA SER A 34 7.957 17.955 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.988 16.309 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.458 15.772 1.138 1.00 0.00 H new ATOM 0 HG SER A 34 11.010 17.490 1.008 1.00 0.00 H new ATOM 503 N HIS A 35 6.690 15.706 0.577 1.00 0.00 N ATOM 504 CA HIS A 35 5.843 15.528 -0.596 1.00 0.00 C ATOM 505 C HIS A 35 4.543 16.316 -0.453 1.00 0.00 C ATOM 506 O HIS A 35 4.327 16.996 0.548 1.00 0.00 O ATOM 507 CB HIS A 35 5.534 14.045 -0.809 1.00 0.00 C ATOM 508 CG HIS A 35 6.532 13.344 -1.675 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.913 13.812 -2.916 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.231 12.201 -1.475 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.802 12.987 -3.441 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.012 12.002 -2.587 1.00 0.00 N ATOM 0 H HIS A 35 6.917 14.841 1.068 1.00 0.00 H new ATOM 0 HA HIS A 35 6.383 15.907 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.494 13.548 0.160 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.545 13.949 -1.258 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.563 14.662 -3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.183 11.565 -0.604 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.276 13.099 -4.405 1.00 0.00 H new ATOM 521 N ALA A 36 3.683 16.217 -1.462 1.00 0.00 N ATOM 522 CA ALA A 36 2.406 16.919 -1.446 1.00 0.00 C ATOM 523 C ALA A 36 1.318 16.067 -0.802 1.00 0.00 C ATOM 524 O ALA A 36 1.586 14.973 -0.306 1.00 0.00 O ATOM 525 CB ALA A 36 2.003 17.312 -2.860 1.00 0.00 C ATOM 0 H ALA A 36 3.848 15.658 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 36 2.524 17.823 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.047 17.836 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.764 17.966 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.909 16.416 -3.474 1.00 0.00 H new ATOM 531 N SER A 37 0.091 16.576 -0.811 1.00 0.00 N ATOM 532 CA SER A 37 -1.037 15.863 -0.222 1.00 0.00 C ATOM 533 C SER A 37 -1.619 14.857 -1.211 1.00 0.00 C ATOM 534 O SER A 37 -2.741 14.381 -1.041 1.00 0.00 O ATOM 535 CB SER A 37 -2.120 16.851 0.215 1.00 0.00 C ATOM 536 OG SER A 37 -1.635 17.728 1.216 1.00 0.00 O ATOM 0 H SER A 37 -0.148 17.480 -1.220 1.00 0.00 H new ATOM 0 HA SER A 37 -0.676 15.321 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.459 17.428 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.984 16.305 0.593 1.00 0.00 H new ATOM 0 HG SER A 37 -2.345 18.351 1.477 1.00 0.00 H new ATOM 542 N GLY A 38 -0.848 14.540 -2.247 1.00 0.00 N ATOM 543 CA GLY A 38 -1.303 13.593 -3.248 1.00 0.00 C ATOM 544 C GLY A 38 -0.311 12.471 -3.479 1.00 0.00 C ATOM 545 O GLY A 38 -0.535 11.594 -4.314 1.00 0.00 O ATOM 0 H GLY A 38 0.083 14.922 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.258 13.171 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.478 14.118 -4.187 1.00 0.00 H new ATOM 549 N THR A 39 0.793 12.496 -2.738 1.00 0.00 N ATOM 550 CA THR A 39 1.825 11.476 -2.867 1.00 0.00 C ATOM 551 C THR A 39 1.437 10.204 -2.122 1.00 0.00 C ATOM 552 O THR A 39 1.156 10.236 -0.924 1.00 0.00 O ATOM 553 CB THR A 39 3.181 11.977 -2.334 1.00 0.00 C ATOM 554 OG1 THR A 39 3.653 13.061 -3.141 1.00 0.00 O ATOM 555 CG2 THR A 39 4.208 10.854 -2.329 1.00 0.00 C ATOM 0 H THR A 39 0.995 13.213 -2.041 1.00 0.00 H new ATOM 0 HA THR A 39 1.920 11.256 -3.930 1.00 0.00 H new ATOM 0 HB THR A 39 3.040 12.323 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.518 12.823 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.157 11.231 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.858 10.043 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.346 10.482 -3.344 1.00 0.00 H new ATOM 563 N TYR A 40 1.422 9.085 -2.838 1.00 0.00 N ATOM 564 CA TYR A 40 1.067 7.802 -2.244 1.00 0.00 C ATOM 565 C TYR A 40 2.153 6.762 -2.504 1.00 0.00 C ATOM 566 O TYR A 40 2.948 6.896 -3.435 1.00 0.00 O ATOM 567 CB TYR A 40 -0.269 7.311 -2.803 1.00 0.00 C ATOM 568 CG TYR A 40 -0.165 6.718 -4.190 1.00 0.00 C ATOM 569 CD1 TYR A 40 -0.024 7.534 -5.306 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.208 5.344 -4.385 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.071 6.997 -6.576 1.00 0.00 C ATOM 572 CE2 TYR A 40 -0.113 4.798 -5.651 1.00 0.00 C ATOM 573 CZ TYR A 40 0.026 5.629 -6.742 1.00 0.00 C ATOM 574 OH TYR A 40 0.122 5.090 -8.006 1.00 0.00 O ATOM 0 H TYR A 40 1.652 9.041 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 40 0.974 7.942 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.683 6.562 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.972 8.144 -2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.012 8.606 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.318 4.690 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.180 7.645 -7.433 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.147 3.727 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 40 0.849 4.433 -8.027 1.00 0.00 H new ATOM 584 N LEU A 41 2.179 5.724 -1.675 1.00 0.00 N ATOM 585 CA LEU A 41 3.165 4.658 -1.814 1.00 0.00 C ATOM 586 C LEU A 41 2.743 3.419 -1.032 1.00 0.00 C ATOM 587 O LEU A 41 1.892 3.494 -0.145 1.00 0.00 O ATOM 588 CB LEU A 41 4.535 5.139 -1.331 1.00 0.00 C ATOM 589 CG LEU A 41 4.842 4.910 0.149 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.487 3.547 0.355 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.743 6.014 0.684 1.00 0.00 C ATOM 0 H LEU A 41 1.528 5.598 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 41 3.231 4.392 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.303 4.640 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.617 6.206 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 41 3.904 4.934 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.699 3.401 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.808 2.767 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.417 3.495 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.951 5.835 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.679 6.022 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.245 6.977 0.571 1.00 0.00 H new ATOM 603 N ILE A 42 3.344 2.282 -1.364 1.00 0.00 N ATOM 604 CA ILE A 42 3.033 1.028 -0.689 1.00 0.00 C ATOM 605 C ILE A 42 4.292 0.382 -0.123 1.00 0.00 C ATOM 606 O ILE A 42 5.207 0.024 -0.865 1.00 0.00 O ATOM 607 CB ILE A 42 2.342 0.034 -1.642 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.890 0.451 -1.885 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.407 -1.375 -1.074 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.726 1.433 -3.023 1.00 0.00 C ATOM 0 H ILE A 42 4.049 2.203 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 42 2.353 1.268 0.128 1.00 0.00 H new ATOM 0 HB ILE A 42 2.867 0.044 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.295 -0.438 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.490 0.894 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.915 -2.066 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.449 -1.669 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.904 -1.401 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.328 1.684 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.293 2.338 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.095 0.985 -3.946 1.00 0.00 H new ATOM 622 N ARG A 43 4.331 0.233 1.197 1.00 0.00 N ATOM 623 CA ARG A 43 5.477 -0.372 1.865 1.00 0.00 C ATOM 624 C ARG A 43 5.040 -1.541 2.743 1.00 0.00 C ATOM 625 O ARG A 43 3.895 -1.601 3.188 1.00 0.00 O ATOM 626 CB ARG A 43 6.210 0.671 2.712 1.00 0.00 C ATOM 627 CG ARG A 43 5.281 1.662 3.394 1.00 0.00 C ATOM 628 CD ARG A 43 4.725 1.101 4.693 1.00 0.00 C ATOM 629 NE ARG A 43 5.681 1.211 5.791 1.00 0.00 N ATOM 630 CZ ARG A 43 5.347 1.092 7.071 1.00 0.00 C ATOM 631 NH1 ARG A 43 4.088 0.860 7.412 1.00 0.00 N ATOM 632 NH2 ARG A 43 6.275 1.204 8.014 1.00 0.00 N ATOM 0 H ARG A 43 3.582 0.523 1.825 1.00 0.00 H new ATOM 0 HA ARG A 43 6.155 -0.749 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.802 0.160 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.908 1.217 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.820 2.587 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.459 1.913 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.810 1.632 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.456 0.054 4.550 1.00 0.00 H new ATOM 0 HE ARG A 43 6.659 1.389 5.563 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.372 0.772 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.835 0.769 8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.246 1.382 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.017 1.112 8.997 1.00 0.00 H new ATOM 646 N GLU A 44 5.962 -2.467 2.987 1.00 0.00 N ATOM 647 CA GLU A 44 5.671 -3.634 3.811 1.00 0.00 C ATOM 648 C GLU A 44 6.160 -3.427 5.242 1.00 0.00 C ATOM 649 O GLU A 44 7.323 -3.091 5.469 1.00 0.00 O ATOM 650 CB GLU A 44 6.323 -4.883 3.214 1.00 0.00 C ATOM 651 CG GLU A 44 6.492 -6.018 4.211 1.00 0.00 C ATOM 652 CD GLU A 44 6.585 -7.374 3.541 1.00 0.00 C ATOM 653 OE1 GLU A 44 5.771 -7.646 2.635 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.475 -8.164 3.922 1.00 0.00 O ATOM 0 H GLU A 44 6.915 -2.432 2.626 1.00 0.00 H new ATOM 0 HA GLU A 44 4.590 -3.771 3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.719 -5.233 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.300 -4.615 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.392 -5.846 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.651 -6.016 4.904 1.00 0.00 H new ATOM 749 N ARG A 51 0.731 -7.994 5.619 1.00 0.00 N ATOM 750 CA ARG A 51 1.769 -8.209 4.617 1.00 0.00 C ATOM 751 C ARG A 51 2.329 -6.879 4.122 1.00 0.00 C ATOM 752 O ARG A 51 3.506 -6.576 4.323 1.00 0.00 O ATOM 753 CB ARG A 51 1.213 -9.010 3.440 1.00 0.00 C ATOM 754 CG ARG A 51 2.259 -9.360 2.393 1.00 0.00 C ATOM 755 CD ARG A 51 3.106 -10.545 2.827 1.00 0.00 C ATOM 756 NE ARG A 51 4.189 -10.145 3.721 1.00 0.00 N ATOM 757 CZ ARG A 51 5.055 -11.000 4.254 1.00 0.00 C ATOM 758 NH1 ARG A 51 4.966 -12.295 3.984 1.00 0.00 N ATOM 759 NH2 ARG A 51 6.013 -10.560 5.060 1.00 0.00 N ATOM 0 HA ARG A 51 2.577 -8.774 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.766 -9.930 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.415 -8.438 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.767 -9.590 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.901 -8.497 2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.474 -11.278 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.524 -11.033 1.947 1.00 0.00 H new ATOM 0 HE ARG A 51 4.286 -9.155 3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.231 -12.638 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.633 -12.949 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.085 -9.565 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.677 -11.217 5.469 1.00 0.00 H new ATOM 773 N PHE A 52 1.480 -6.089 3.475 1.00 0.00 N ATOM 774 CA PHE A 52 1.891 -4.792 2.949 1.00 0.00 C ATOM 775 C PHE A 52 1.170 -3.659 3.674 1.00 0.00 C ATOM 776 O PHE A 52 0.309 -3.897 4.520 1.00 0.00 O ATOM 777 CB PHE A 52 1.607 -4.714 1.448 1.00 0.00 C ATOM 778 CG PHE A 52 2.467 -5.631 0.626 1.00 0.00 C ATOM 779 CD1 PHE A 52 3.837 -5.440 0.555 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.905 -6.686 -0.074 1.00 0.00 C ATOM 781 CE1 PHE A 52 4.632 -6.282 -0.200 1.00 0.00 C ATOM 782 CE2 PHE A 52 2.694 -7.533 -0.830 1.00 0.00 C ATOM 783 CZ PHE A 52 4.059 -7.330 -0.894 1.00 0.00 C ATOM 0 H PHE A 52 0.503 -6.324 3.302 1.00 0.00 H new ATOM 0 HA PHE A 52 2.963 -4.683 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.559 -4.957 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.758 -3.688 1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.290 -4.623 1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.838 -6.849 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.699 -6.121 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.244 -8.353 -1.370 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.677 -7.989 -1.485 1.00 0.00 H new ATOM 793 N ALA A 53 1.531 -2.425 3.335 1.00 0.00 N ATOM 794 CA ALA A 53 0.918 -1.255 3.952 1.00 0.00 C ATOM 795 C ALA A 53 0.897 -0.074 2.987 1.00 0.00 C ATOM 796 O ALA A 53 1.917 0.271 2.390 1.00 0.00 O ATOM 797 CB ALA A 53 1.658 -0.882 5.228 1.00 0.00 C ATOM 0 H ALA A 53 2.244 -2.210 2.638 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.113 -1.505 4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.189 -0.007 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.618 -1.716 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.698 -0.656 4.993 1.00 0.00 H new ATOM 803 N ILE A 54 -0.271 0.542 2.839 1.00 0.00 N ATOM 804 CA ILE A 54 -0.424 1.685 1.947 1.00 0.00 C ATOM 805 C ILE A 54 -0.290 2.999 2.708 1.00 0.00 C ATOM 806 O ILE A 54 -1.028 3.256 3.659 1.00 0.00 O ATOM 807 CB ILE A 54 -1.785 1.658 1.226 1.00 0.00 C ATOM 808 CG1 ILE A 54 -2.049 0.270 0.638 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.829 2.719 0.136 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.351 0.175 -0.124 1.00 0.00 C ATOM 0 H ILE A 54 -1.125 0.269 3.325 1.00 0.00 H new ATOM 0 HA ILE A 54 0.372 1.615 1.206 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.568 1.879 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.228 0.004 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.055 -0.462 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.797 2.687 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.682 3.703 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.039 2.528 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.472 -0.836 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.181 0.410 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.340 0.883 -0.953 1.00 0.00 H new ATOM 822 N SER A 55 0.656 3.829 2.282 1.00 0.00 N ATOM 823 CA SER A 55 0.889 5.117 2.925 1.00 0.00 C ATOM 824 C SER A 55 0.703 6.262 1.933 1.00 0.00 C ATOM 825 O SER A 55 1.334 6.289 0.876 1.00 0.00 O ATOM 826 CB SER A 55 2.297 5.168 3.520 1.00 0.00 C ATOM 827 OG SER A 55 3.195 4.363 2.774 1.00 0.00 O ATOM 0 H SER A 55 1.274 3.633 1.494 1.00 0.00 H new ATOM 0 HA SER A 55 0.159 5.231 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.652 6.198 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.271 4.826 4.555 1.00 0.00 H new ATOM 0 HG SER A 55 3.979 4.152 3.323 1.00 0.00 H new ATOM 833 N ILE A 56 -0.168 7.202 2.281 1.00 0.00 N ATOM 834 CA ILE A 56 -0.438 8.349 1.423 1.00 0.00 C ATOM 835 C ILE A 56 -0.514 9.638 2.235 1.00 0.00 C ATOM 836 O ILE A 56 -1.055 9.657 3.340 1.00 0.00 O ATOM 837 CB ILE A 56 -1.752 8.170 0.641 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.935 6.706 0.238 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.765 9.068 -0.587 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.517 5.845 1.337 1.00 0.00 C ATOM 0 H ILE A 56 -0.699 7.192 3.152 1.00 0.00 H new ATOM 0 HA ILE A 56 0.389 8.416 0.717 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.583 8.457 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.586 6.656 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.970 6.296 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.701 8.930 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.676 10.109 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.928 8.809 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.619 4.820 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.855 5.864 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.497 6.230 1.620 1.00 0.00 H new ATOM 852 N LYS A 57 0.031 10.715 1.679 1.00 0.00 N ATOM 853 CA LYS A 57 0.024 12.010 2.349 1.00 0.00 C ATOM 854 C LYS A 57 -1.289 12.744 2.096 1.00 0.00 C ATOM 855 O LYS A 57 -1.699 12.928 0.950 1.00 0.00 O ATOM 856 CB LYS A 57 1.198 12.863 1.866 1.00 0.00 C ATOM 857 CG LYS A 57 1.326 14.189 2.595 1.00 0.00 C ATOM 858 CD LYS A 57 1.715 13.991 4.050 1.00 0.00 C ATOM 859 CE LYS A 57 1.571 15.278 4.846 1.00 0.00 C ATOM 860 NZ LYS A 57 2.413 16.373 4.289 1.00 0.00 N ATOM 0 H LYS A 57 0.484 10.716 0.765 1.00 0.00 H new ATOM 0 HA LYS A 57 0.125 11.838 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.122 12.299 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.083 13.054 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.074 14.807 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.380 14.728 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.089 13.216 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.745 13.640 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.526 15.589 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.851 15.096 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.686 17.024 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.268 15.968 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.874 16.893 3.568 1.00 0.00 H new ATOM 874 N PHE A 58 -1.944 13.164 3.174 1.00 0.00 N ATOM 875 CA PHE A 58 -3.211 13.879 3.070 1.00 0.00 C ATOM 876 C PHE A 58 -3.604 14.486 4.414 1.00 0.00 C ATOM 877 O PHE A 58 -3.450 13.857 5.459 1.00 0.00 O ATOM 878 CB PHE A 58 -4.312 12.938 2.579 1.00 0.00 C ATOM 879 CG PHE A 58 -5.654 13.602 2.451 1.00 0.00 C ATOM 880 CD1 PHE A 58 -5.989 14.300 1.302 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.579 13.528 3.480 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.223 14.912 1.181 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.814 14.137 3.363 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.136 14.831 2.213 1.00 0.00 C ATOM 0 H PHE A 58 -1.618 13.021 4.130 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.087 14.687 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.024 12.529 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.395 12.098 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.278 14.367 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.332 12.989 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.472 15.453 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.528 14.070 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.100 15.309 2.122 1.00 0.00 H new ATOM 894 N ASN A 59 -4.113 15.713 4.374 1.00 0.00 N ATOM 895 CA ASN A 59 -4.529 16.407 5.588 1.00 0.00 C ATOM 896 C ASN A 59 -3.334 16.674 6.498 1.00 0.00 C ATOM 897 O ASN A 59 -3.400 16.452 7.707 1.00 0.00 O ATOM 898 CB ASN A 59 -5.580 15.585 6.335 1.00 0.00 C ATOM 899 CG ASN A 59 -6.546 16.454 7.117 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.164 17.107 8.088 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.806 16.466 6.696 1.00 0.00 N ATOM 0 H ASN A 59 -4.247 16.247 3.515 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.964 17.364 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.137 14.979 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.081 14.897 7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.501 17.032 7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.078 15.909 5.886 1.00 0.00 H new ATOM 908 N ASP A 60 -2.243 17.152 5.909 1.00 0.00 N ATOM 909 CA ASP A 60 -1.033 17.450 6.666 1.00 0.00 C ATOM 910 C ASP A 60 -0.706 16.319 7.635 1.00 0.00 C ATOM 911 O ASP A 60 -0.182 16.554 8.723 1.00 0.00 O ATOM 912 CB ASP A 60 -1.198 18.764 7.433 1.00 0.00 C ATOM 913 CG ASP A 60 -0.812 19.971 6.602 1.00 0.00 C ATOM 914 OD1 ASP A 60 0.400 20.228 6.457 1.00 0.00 O ATOM 915 OD2 ASP A 60 -1.724 20.659 6.096 1.00 0.00 O ATOM 0 H ASP A 60 -2.172 17.341 4.909 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.208 17.550 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.234 18.865 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.585 18.735 8.334 1.00 0.00 H new ATOM 920 N GLU A 61 -1.019 15.092 7.232 1.00 0.00 N ATOM 921 CA GLU A 61 -0.759 13.924 8.067 1.00 0.00 C ATOM 922 C GLU A 61 -0.525 12.683 7.210 1.00 0.00 C ATOM 923 O GLU A 61 -1.227 12.454 6.225 1.00 0.00 O ATOM 924 CB GLU A 61 -1.928 13.683 9.024 1.00 0.00 C ATOM 925 CG GLU A 61 -1.815 14.451 10.330 1.00 0.00 C ATOM 926 CD GLU A 61 -3.083 14.384 11.158 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.731 13.317 11.164 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.426 15.398 11.802 1.00 0.00 O ATOM 0 H GLU A 61 -1.453 14.880 6.333 1.00 0.00 H new ATOM 0 HA GLU A 61 0.143 14.118 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.857 13.963 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.993 12.617 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.984 14.051 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.581 15.494 10.115 1.00 0.00 H new ATOM 935 N VAL A 62 0.468 11.887 7.591 1.00 0.00 N ATOM 936 CA VAL A 62 0.796 10.670 6.858 1.00 0.00 C ATOM 937 C VAL A 62 0.011 9.478 7.394 1.00 0.00 C ATOM 938 O VAL A 62 0.278 8.986 8.490 1.00 0.00 O ATOM 939 CB VAL A 62 2.302 10.355 6.937 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.579 8.941 6.449 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.100 11.370 6.133 1.00 0.00 C ATOM 0 H VAL A 62 1.060 12.063 8.403 1.00 0.00 H new ATOM 0 HA VAL A 62 0.523 10.844 5.817 1.00 0.00 H new ATOM 0 HB VAL A 62 2.615 10.422 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.648 8.737 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.036 8.229 7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.252 8.843 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.162 11.133 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.785 11.336 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.926 12.369 6.533 1.00 0.00 H new ATOM 951 N LYS A 63 -0.960 9.016 6.613 1.00 0.00 N ATOM 952 CA LYS A 63 -1.785 7.881 7.007 1.00 0.00 C ATOM 953 C LYS A 63 -1.100 6.563 6.657 1.00 0.00 C ATOM 954 O LYS A 63 -0.421 6.458 5.635 1.00 0.00 O ATOM 955 CB LYS A 63 -3.151 7.954 6.322 1.00 0.00 C ATOM 956 CG LYS A 63 -4.193 8.715 7.123 1.00 0.00 C ATOM 957 CD LYS A 63 -3.786 10.164 7.333 1.00 0.00 C ATOM 958 CE LYS A 63 -4.999 11.072 7.452 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.681 12.332 8.182 1.00 0.00 N ATOM 0 H LYS A 63 -1.195 9.411 5.702 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.924 7.923 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.035 8.430 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.512 6.942 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.151 8.677 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.334 8.232 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.179 10.245 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.164 10.493 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.371 11.313 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.798 10.544 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.560 12.758 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.050 12.120 8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.210 12.998 7.536 1.00 0.00 H new ATOM 973 N HIS A 64 -1.281 5.561 7.511 1.00 0.00 N ATOM 974 CA HIS A 64 -0.683 4.250 7.291 1.00 0.00 C ATOM 975 C HIS A 64 -1.745 3.156 7.315 1.00 0.00 C ATOM 976 O HIS A 64 -2.281 2.820 8.372 1.00 0.00 O ATOM 977 CB HIS A 64 0.382 3.967 8.353 1.00 0.00 C ATOM 978 CG HIS A 64 1.572 4.872 8.264 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.612 4.662 7.384 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.882 5.996 8.951 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.512 5.617 7.535 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.092 6.440 8.479 1.00 0.00 N ATOM 0 H HIS A 64 -1.838 5.632 8.363 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.213 4.253 6.307 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.067 4.067 9.341 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.714 2.933 8.256 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.288 6.458 9.726 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.434 5.709 6.981 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.587 7.271 8.804 1.00 0.00 H new ATOM 991 N ILE A 65 -2.046 2.604 6.144 1.00 0.00 N ATOM 992 CA ILE A 65 -3.044 1.548 6.032 1.00 0.00 C ATOM 993 C ILE A 65 -2.400 0.170 6.136 1.00 0.00 C ATOM 994 O ILE A 65 -1.236 -0.013 5.780 1.00 0.00 O ATOM 995 CB ILE A 65 -3.816 1.643 4.703 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.501 3.006 4.582 1.00 0.00 C ATOM 997 CG2 ILE A 65 -4.838 0.519 4.602 1.00 0.00 C ATOM 998 CD1 ILE A 65 -3.664 4.040 3.862 1.00 0.00 C ATOM 0 H ILE A 65 -1.613 2.871 5.260 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.742 1.683 6.859 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.108 1.539 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.446 2.883 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.739 3.374 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.376 0.600 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.327 -0.443 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.544 0.594 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.211 4.981 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.729 4.192 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.447 3.693 2.852 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.166 -0.800 6.624 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.674 -2.164 6.772 1.00 0.00 C ATOM 1012 C LYS A 66 -3.378 -3.106 5.803 1.00 0.00 C ATOM 1013 O LYS A 66 -4.604 -3.229 5.819 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.879 -2.649 8.210 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.331 -2.642 8.653 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.452 -2.636 10.168 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.905 -2.568 10.611 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.388 -1.164 10.717 1.00 0.00 N ATOM 0 H LYS A 66 -4.132 -0.666 6.924 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.609 -2.165 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.484 -3.661 8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.299 -2.018 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.833 -1.765 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.840 -3.518 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.988 -3.535 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.906 -1.784 10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.527 -3.113 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.014 -3.063 11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.382 -1.161 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.811 -0.650 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.308 -0.699 9.790 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.598 -3.771 4.957 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.147 -4.704 3.981 1.00 0.00 C ATOM 1034 C VAL A 67 -3.269 -6.106 4.568 1.00 0.00 C ATOM 1035 O VAL A 67 -2.267 -6.758 4.862 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.277 -4.766 2.712 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -2.888 -5.714 1.690 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.098 -3.376 2.120 1.00 0.00 C ATOM 0 H VAL A 67 -1.582 -3.681 4.928 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.138 -4.336 3.716 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.294 -5.149 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.259 -5.744 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.959 -6.714 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.884 -5.364 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.481 -3.439 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.073 -2.963 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.612 -2.729 2.851 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.505 -6.564 4.738 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.760 -7.890 5.290 1.00 0.00 C ATOM 1050 C VAL A 68 -4.921 -8.924 4.182 1.00 0.00 C ATOM 1051 O VAL A 68 -5.678 -8.719 3.233 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.023 -7.898 6.172 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.437 -9.324 6.500 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -5.788 -7.096 7.444 1.00 0.00 C ATOM 0 H VAL A 68 -5.346 -6.037 4.502 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.897 -8.149 5.903 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.836 -7.428 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.331 -9.309 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.648 -9.863 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.629 -9.823 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.690 -7.112 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.962 -7.535 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.543 -6.066 7.185 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.206 -10.037 4.310 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.269 -11.104 3.318 1.00 0.00 C ATOM 1066 C GLU A 69 -4.912 -12.357 3.907 1.00 0.00 C ATOM 1067 O GLU A 69 -4.289 -13.083 4.682 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.868 -11.433 2.798 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.864 -12.066 1.417 1.00 0.00 C ATOM 1070 CD GLU A 69 -2.945 -13.580 1.469 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -4.032 -14.105 1.790 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -1.923 -14.238 1.189 1.00 0.00 O ATOM 0 H GLU A 69 -3.577 -10.223 5.091 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.884 -10.756 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.276 -10.518 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.379 -12.109 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.706 -11.680 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.957 -11.772 0.889 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.163 -12.603 3.534 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.892 -13.767 4.024 1.00 0.00 C ATOM 1081 C LYS A 70 -7.603 -14.485 2.882 1.00 0.00 C ATOM 1082 O LYS A 70 -7.998 -13.862 1.896 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.909 -13.348 5.088 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.182 -14.423 6.125 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.508 -14.192 6.832 1.00 0.00 C ATOM 1086 CE LYS A 70 -9.479 -14.722 8.257 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.846 -16.164 8.321 1.00 0.00 N ATOM 0 H LYS A 70 -6.693 -12.012 2.894 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.172 -14.453 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.546 -12.452 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.846 -13.081 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.191 -15.401 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.375 -14.436 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.734 -13.126 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.308 -14.682 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.483 -14.582 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.168 -14.144 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.814 -16.487 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.807 -16.295 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.174 -16.719 7.754 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.763 -15.797 3.020 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.429 -16.598 2.000 1.00 0.00 C ATOM 1103 C ASP A 71 -7.866 -16.291 0.615 1.00 0.00 C ATOM 1104 O ASP A 71 -8.616 -16.108 -0.343 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.936 -16.338 2.021 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.622 -17.004 3.197 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.657 -16.394 4.286 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.125 -18.134 3.029 1.00 0.00 O ATOM 0 H ASP A 71 -7.440 -16.328 3.829 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.247 -17.650 2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.116 -15.264 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.377 -16.702 1.093 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.542 -16.236 0.518 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.879 -15.951 -0.749 1.00 0.00 C ATOM 1115 C ASN A 72 -6.423 -14.668 -1.370 1.00 0.00 C ATOM 1116 O ASN A 72 -6.495 -14.540 -2.591 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.064 -17.119 -1.719 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.940 -17.210 -2.734 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -3.764 -17.108 -2.384 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -5.299 -17.402 -3.999 1.00 0.00 N ATOM 0 H ASN A 72 -5.907 -16.385 1.302 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.815 -15.816 -0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.118 -18.051 -1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.014 -17.007 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.587 -17.471 -4.726 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.286 -17.481 -4.243 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.804 -13.721 -0.519 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.341 -12.447 -0.985 1.00 0.00 C ATOM 1129 C TRP A 73 -6.646 -11.279 -0.295 1.00 0.00 C ATOM 1130 O TRP A 73 -6.009 -11.450 0.746 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.847 -12.383 -0.731 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.585 -13.591 -1.223 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.463 -14.360 -0.514 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.507 -14.168 -2.530 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.936 -15.381 -1.302 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.367 -15.285 -2.544 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.799 -13.850 -3.691 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.532 -16.083 -3.672 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -8.963 -14.643 -4.811 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -9.825 -15.748 -4.795 1.00 0.00 C ATOM 0 H TRP A 73 -6.751 -13.811 0.496 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.157 -12.373 -2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.023 -12.269 0.339 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.253 -11.496 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.744 -14.190 0.515 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.603 -16.095 -1.009 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.135 -12.999 -3.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.194 -16.936 -3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.418 -14.407 -5.713 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -9.934 -16.347 -5.687 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.771 -10.092 -0.879 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.155 -8.895 -0.319 1.00 0.00 C ATOM 1153 C ILE A 74 -7.166 -7.760 -0.205 1.00 0.00 C ATOM 1154 O ILE A 74 -7.818 -7.393 -1.183 1.00 0.00 O ATOM 1155 CB ILE A 74 -4.963 -8.424 -1.171 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.723 -9.267 -0.864 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.683 -6.949 -0.921 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.785 -9.413 -2.041 1.00 0.00 C ATOM 0 H ILE A 74 -7.294 -9.933 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.796 -9.160 0.676 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.215 -8.553 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.182 -8.814 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.039 -10.257 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.837 -6.631 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.562 -6.362 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.448 -6.797 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.929 -10.022 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.309 -9.894 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.439 -8.428 -2.355 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.289 -7.203 0.996 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.219 -6.104 1.237 1.00 0.00 C ATOM 1172 C HIS A 75 -7.785 -5.281 2.446 1.00 0.00 C ATOM 1173 O HIS A 75 -6.724 -5.520 3.023 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.633 -6.645 1.453 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.678 -7.896 2.274 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.640 -7.894 3.652 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.759 -9.195 1.903 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.694 -9.138 4.094 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -9.767 -9.948 3.053 1.00 0.00 N ATOM 0 H HIS A 75 -6.757 -7.494 1.817 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.216 -5.457 0.360 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.235 -5.879 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.090 -6.840 0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.808 -9.570 0.891 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.681 -9.441 5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.821 -10.966 3.096 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.612 -4.311 2.822 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.314 -3.455 3.963 1.00 0.00 C ATOM 1190 C ILE A 76 -9.580 -3.110 4.739 1.00 0.00 C ATOM 1191 O ILE A 76 -10.654 -2.951 4.158 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.625 -2.150 3.521 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.467 -1.437 2.460 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.229 -2.440 2.989 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.972 -0.046 2.130 1.00 0.00 C ATOM 0 H ILE A 76 -9.493 -4.099 2.353 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.637 -4.015 4.609 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.533 -1.495 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.474 -2.037 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.498 -1.374 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.756 -1.508 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.632 -2.909 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.298 -3.112 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.616 0.399 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.991 0.570 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.951 -0.103 1.751 1.00 0.00 H new ATOM 1207 N THR A 77 -9.448 -2.994 6.057 1.00 0.00 N ATOM 1208 CA THR A 77 -10.581 -2.667 6.913 1.00 0.00 C ATOM 1209 C THR A 77 -11.815 -3.473 6.523 1.00 0.00 C ATOM 1210 O THR A 77 -12.945 -3.053 6.771 1.00 0.00 O ATOM 1211 CB THR A 77 -10.920 -1.167 6.848 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.840 -0.827 7.891 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.520 -0.805 5.498 1.00 0.00 C ATOM 0 H THR A 77 -8.567 -3.122 6.555 1.00 0.00 H new ATOM 0 HA THR A 77 -10.291 -2.922 7.932 1.00 0.00 H new ATOM 0 HB THR A 77 -9.997 -0.603 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.561 -1.490 7.920 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.751 0.260 5.476 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.806 -1.037 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.434 -1.378 5.341 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.591 -4.631 5.910 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.686 -5.495 5.486 1.00 0.00 C ATOM 1223 C GLU A 78 -13.803 -4.680 4.840 1.00 0.00 C ATOM 1224 O GLU A 78 -14.982 -4.898 5.113 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.238 -6.280 6.678 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.478 -7.565 6.964 1.00 0.00 C ATOM 1227 CD GLU A 78 -12.802 -8.667 5.973 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -12.760 -8.400 4.754 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -13.097 -9.796 6.418 1.00 0.00 O ATOM 0 H GLU A 78 -10.661 -4.992 5.696 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.296 -6.196 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.210 -5.646 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.285 -6.520 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.407 -7.363 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.715 -7.906 7.972 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.420 -3.739 3.982 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.388 -2.892 3.297 1.00 0.00 C ATOM 1238 C ALA A 79 -14.745 -3.462 1.928 1.00 0.00 C ATOM 1239 O ALA A 79 -15.890 -3.375 1.486 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.844 -1.477 3.155 1.00 0.00 C ATOM 0 H ALA A 79 -12.447 -3.545 3.745 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.297 -2.862 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.577 -0.855 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.645 -1.063 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.919 -1.499 2.578 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.756 -4.047 1.260 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.964 -4.633 -0.058 1.00 0.00 C ATOM 1248 C LYS A 80 -12.853 -5.622 -0.396 1.00 0.00 C ATOM 1249 O LYS A 80 -11.681 -5.379 -0.105 1.00 0.00 O ATOM 1250 CB LYS A 80 -14.026 -3.535 -1.124 1.00 0.00 C ATOM 1251 CG LYS A 80 -14.018 -4.068 -2.546 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.427 -4.336 -3.048 1.00 0.00 C ATOM 1253 CE LYS A 80 -16.109 -3.056 -3.508 1.00 0.00 C ATOM 1254 NZ LYS A 80 -17.591 -3.153 -3.414 1.00 0.00 N ATOM 0 H LYS A 80 -12.802 -4.128 1.611 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.912 -5.170 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.928 -2.943 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.178 -2.863 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.527 -3.349 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.435 -4.988 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.391 -5.047 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.015 -4.798 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.761 -2.220 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.824 -2.842 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.018 -2.261 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.926 -3.934 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.865 -3.331 -2.427 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.227 -6.737 -1.013 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.263 -7.763 -1.393 1.00 0.00 C ATOM 1270 C LYS A 81 -11.732 -7.515 -2.801 1.00 0.00 C ATOM 1271 O LYS A 81 -12.485 -7.145 -3.704 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.905 -9.150 -1.316 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.069 -9.335 -2.273 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.797 -10.644 -2.018 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.740 -10.990 -3.161 1.00 0.00 C ATOM 1276 NZ LYS A 81 -15.024 -11.644 -4.292 1.00 0.00 N ATOM 0 H LYS A 81 -14.192 -6.954 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.427 -7.717 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.147 -9.904 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.252 -9.325 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.765 -8.503 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.704 -9.315 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.071 -11.446 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.361 -10.572 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.525 -11.653 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.228 -10.083 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.701 -11.864 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.292 -11.002 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.579 -12.523 -3.959 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.432 -7.721 -2.985 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.801 -7.520 -4.284 1.00 0.00 C ATOM 1292 C PHE A 82 -8.948 -8.727 -4.666 1.00 0.00 C ATOM 1293 O PHE A 82 -8.266 -9.311 -3.823 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.939 -6.257 -4.266 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.737 -4.985 -4.326 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.520 -4.696 -5.431 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.705 -4.081 -3.277 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.254 -3.527 -5.491 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.438 -2.911 -3.329 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.214 -2.634 -4.437 1.00 0.00 C ATOM 0 H PHE A 82 -9.795 -8.027 -2.250 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.588 -7.403 -5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.333 -6.254 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.250 -6.285 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.557 -5.393 -6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.100 -4.293 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.858 -3.311 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.404 -2.214 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.789 -1.721 -4.480 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.992 -9.094 -5.942 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.223 -10.230 -6.437 1.00 0.00 C ATOM 1312 C ASP A 83 -6.805 -10.213 -5.876 1.00 0.00 C ATOM 1313 O ASP A 83 -6.173 -11.258 -5.728 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.179 -10.215 -7.967 1.00 0.00 C ATOM 1315 CG ASP A 83 -9.463 -10.730 -8.587 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -10.420 -9.937 -8.715 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -9.511 -11.925 -8.946 1.00 0.00 O ATOM 0 H ASP A 83 -9.552 -8.622 -6.652 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.715 -11.143 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.994 -9.198 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.343 -10.825 -8.310 1.00 0.00 H new ATOM 1322 N SER A 84 -6.311 -9.019 -5.565 1.00 0.00 N ATOM 1323 CA SER A 84 -4.966 -8.865 -5.024 1.00 0.00 C ATOM 1324 C SER A 84 -4.695 -7.411 -4.646 1.00 0.00 C ATOM 1325 O SER A 84 -5.571 -6.553 -4.763 1.00 0.00 O ATOM 1326 CB SER A 84 -3.927 -9.341 -6.040 1.00 0.00 C ATOM 1327 OG SER A 84 -3.744 -10.744 -5.963 1.00 0.00 O ATOM 0 H SER A 84 -6.822 -8.144 -5.679 1.00 0.00 H new ATOM 0 HA SER A 84 -4.891 -9.476 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.245 -9.067 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.978 -8.837 -5.858 1.00 0.00 H new ATOM 0 HG SER A 84 -4.531 -11.197 -6.331 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.476 -7.142 -4.193 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.087 -5.793 -3.796 1.00 0.00 C ATOM 1335 C LEU A 85 -3.153 -4.837 -4.984 1.00 0.00 C ATOM 1336 O LEU A 85 -3.714 -3.746 -4.886 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.675 -5.799 -3.209 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.035 -4.428 -2.987 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.642 -3.747 -1.770 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.472 -4.564 -2.827 1.00 0.00 C ATOM 0 H LEU A 85 -2.739 -7.840 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.787 -5.448 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.702 -6.324 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.030 -6.376 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.234 -3.809 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.175 -2.773 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.713 -3.617 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.474 -4.363 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.912 -3.579 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.691 -5.200 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.895 -5.011 -3.727 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.576 -5.255 -6.105 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.569 -4.438 -7.314 1.00 0.00 C ATOM 1354 C LEU A 86 -3.952 -3.849 -7.579 1.00 0.00 C ATOM 1355 O LEU A 86 -4.103 -2.635 -7.717 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.118 -5.271 -8.515 1.00 0.00 C ATOM 1357 CG LEU A 86 -1.834 -4.494 -9.801 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -0.763 -3.440 -9.562 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.411 -5.442 -10.913 1.00 0.00 C ATOM 0 H LEU A 86 -2.107 -6.155 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.866 -3.618 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.216 -5.815 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.887 -6.015 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.750 -3.989 -10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.574 -2.897 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.103 -2.743 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.156 -3.924 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.213 -4.872 -11.821 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.508 -5.974 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.209 -6.160 -11.102 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.956 -4.717 -7.648 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.326 -4.282 -7.896 1.00 0.00 C ATOM 1373 C GLU A 87 -6.746 -3.212 -6.892 1.00 0.00 C ATOM 1374 O GLU A 87 -7.242 -2.149 -7.271 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.284 -5.471 -7.820 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.438 -6.213 -9.138 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.532 -5.630 -10.012 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -8.249 -4.665 -10.751 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -9.670 -6.140 -9.955 1.00 0.00 O ATOM 0 H GLU A 87 -4.847 -5.725 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.369 -3.854 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.927 -6.167 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.263 -5.118 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.492 -6.185 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.659 -7.261 -8.937 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.545 -3.499 -5.611 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.903 -2.563 -4.551 1.00 0.00 C ATOM 1388 C LEU A 88 -6.338 -1.175 -4.836 1.00 0.00 C ATOM 1389 O LEU A 88 -7.017 -0.165 -4.648 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.390 -3.068 -3.202 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.643 -2.154 -2.003 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.553 -2.940 -0.704 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.655 -0.997 -1.997 1.00 0.00 C ATOM 0 H LEU A 88 -6.136 -4.373 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.990 -2.492 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.850 -4.035 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.316 -3.237 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.650 -1.746 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.736 -2.273 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.300 -3.734 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.559 -3.377 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.850 -0.357 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.639 -1.387 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.768 -0.418 -2.913 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.090 -1.133 -5.294 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.435 0.130 -5.608 1.00 0.00 C ATOM 1407 C VAL A 89 -5.083 0.802 -6.813 1.00 0.00 C ATOM 1408 O VAL A 89 -5.375 1.997 -6.786 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.934 -0.073 -5.894 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.256 1.263 -6.161 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.265 -0.798 -4.737 1.00 0.00 C ATOM 0 H VAL A 89 -4.514 -1.959 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.549 0.771 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.832 -0.690 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.197 1.100 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.719 1.740 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.366 1.907 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.206 -0.933 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.375 -0.209 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.734 -1.772 -4.598 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.309 0.024 -7.867 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.924 0.545 -9.082 1.00 0.00 C ATOM 1423 C GLU A 90 -7.326 1.075 -8.798 1.00 0.00 C ATOM 1424 O GLU A 90 -7.839 1.926 -9.525 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.987 -0.543 -10.156 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.654 -0.805 -10.835 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.810 -1.451 -12.198 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.509 -2.481 -12.291 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.233 -0.925 -13.173 1.00 0.00 O ATOM 0 H GLU A 90 -5.076 -0.968 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.309 1.369 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.343 -1.469 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.719 -0.255 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.114 0.136 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.047 -1.449 -10.199 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.940 0.566 -7.736 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.285 0.985 -7.356 1.00 0.00 C ATOM 1438 C TYR A 91 -9.274 2.402 -6.789 1.00 0.00 C ATOM 1439 O TYR A 91 -10.064 3.253 -7.198 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.872 0.017 -6.328 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.379 0.077 -6.232 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.181 -0.406 -7.260 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -12.003 0.617 -5.114 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.559 -0.353 -7.177 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.381 0.673 -5.022 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.154 0.188 -6.056 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.526 0.243 -5.968 1.00 0.00 O ATOM 0 H TYR A 91 -7.528 -0.137 -7.123 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.908 0.976 -8.251 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.573 -0.999 -6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.445 0.236 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.718 -0.830 -8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.401 0.999 -4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.167 -0.733 -7.985 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.850 1.094 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.783 0.651 -5.115 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.372 2.647 -5.846 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.258 3.960 -5.221 1.00 0.00 C ATOM 1459 C TYR A 92 -7.577 4.953 -6.158 1.00 0.00 C ATOM 1460 O TYR A 92 -7.720 6.165 -6.004 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.473 3.857 -3.912 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.130 2.969 -2.879 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.487 3.077 -2.604 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.393 2.019 -2.181 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.092 2.267 -1.661 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.989 1.205 -1.239 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.338 1.333 -0.982 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.936 0.524 -0.042 1.00 0.00 O ATOM 0 H TYR A 92 -7.709 1.955 -5.497 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.264 4.321 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.475 3.474 -4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.348 4.856 -3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.080 3.806 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.336 1.916 -2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.148 2.365 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.402 0.472 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.599 -0.391 -0.136 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.838 4.427 -7.130 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.136 5.266 -8.094 1.00 0.00 C ATOM 1480 C GLN A 93 -7.104 6.207 -8.805 1.00 0.00 C ATOM 1481 O GLN A 93 -6.707 7.258 -9.309 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.403 4.400 -9.119 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.981 4.049 -8.712 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.143 3.563 -9.879 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.434 3.868 -11.035 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.096 2.803 -9.580 1.00 0.00 N ATOM 0 H GLN A 93 -6.710 3.425 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.407 5.867 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.966 3.479 -9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.380 4.924 -10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.507 4.925 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.007 3.278 -7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.892 2.575 -8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.495 2.447 -10.324 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.376 5.822 -8.841 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.400 6.630 -9.492 1.00 0.00 C ATOM 1497 C CYS A 94 -10.520 6.976 -8.516 1.00 0.00 C ATOM 1498 O CYS A 94 -11.177 8.010 -8.649 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.972 5.889 -10.701 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.797 5.676 -12.059 1.00 0.00 S ATOM 0 H CYS A 94 -8.722 4.956 -8.427 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.937 7.557 -9.830 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.322 4.908 -10.380 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.842 6.433 -11.069 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.372 5.037 -13.034 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.735 6.104 -7.536 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.777 6.317 -6.538 1.00 0.00 C ATOM 1508 C HIS A 95 -11.180 6.820 -5.228 1.00 0.00 C ATOM 1509 O HIS A 95 -10.181 6.288 -4.744 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.552 5.021 -6.294 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.638 4.139 -7.502 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.518 2.766 -7.440 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.835 4.440 -8.806 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.636 2.262 -8.656 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.830 3.256 -9.503 1.00 0.00 N ATOM 0 H HIS A 95 -10.202 5.243 -7.412 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.461 7.075 -6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.075 4.469 -5.484 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.560 5.267 -5.961 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.363 2.225 -6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.971 5.427 -9.222 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.583 1.214 -8.913 1.00 0.00 H new ATOM 1524 N SER A 96 -11.797 7.851 -4.659 1.00 0.00 N ATOM 1525 CA SER A 96 -11.324 8.430 -3.407 1.00 0.00 C ATOM 1526 C SER A 96 -11.340 7.392 -2.288 1.00 0.00 C ATOM 1527 O SER A 96 -12.121 6.440 -2.320 1.00 0.00 O ATOM 1528 CB SER A 96 -12.188 9.631 -3.017 1.00 0.00 C ATOM 1529 OG SER A 96 -11.441 10.573 -2.264 1.00 0.00 O ATOM 0 H SER A 96 -12.626 8.303 -5.045 1.00 0.00 H new ATOM 0 HA SER A 96 -10.297 8.764 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.581 10.108 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.045 9.293 -2.435 1.00 0.00 H new ATOM 0 HG SER A 96 -12.014 11.332 -2.028 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.475 7.584 -1.299 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.388 6.667 -0.169 1.00 0.00 C ATOM 1537 C LEU A 97 -11.475 6.965 0.859 1.00 0.00 C ATOM 1538 O LEU A 97 -11.712 6.177 1.775 1.00 0.00 O ATOM 1539 CB LEU A 97 -9.009 6.761 0.486 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.931 5.839 -0.084 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.545 6.380 0.232 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.091 4.427 0.462 1.00 0.00 C ATOM 0 H LEU A 97 -9.823 8.367 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.536 5.654 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.659 7.790 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.118 6.545 1.549 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.047 5.803 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.790 5.711 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.432 7.371 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.418 6.447 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.315 3.785 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.002 4.445 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.071 4.038 0.184 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.132 8.109 0.701 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.196 8.512 1.613 1.00 0.00 C ATOM 1556 C LYS A 98 -14.126 7.341 1.917 1.00 0.00 C ATOM 1557 O LYS A 98 -14.584 7.178 3.048 1.00 0.00 O ATOM 1558 CB LYS A 98 -13.997 9.670 1.016 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.137 9.222 0.116 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.783 10.399 -0.594 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.751 11.137 0.319 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.502 12.197 -0.409 1.00 0.00 N ATOM 0 H LYS A 98 -11.946 8.774 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.735 8.839 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.402 10.276 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.324 10.310 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.762 8.512 -0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.886 8.698 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.010 11.086 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.313 10.046 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.455 10.426 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.200 11.585 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.151 12.676 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.833 12.889 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.048 11.767 -1.182 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.397 6.528 0.901 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.272 5.372 1.062 1.00 0.00 C ATOM 1578 C GLU A 99 -14.882 4.562 2.295 1.00 0.00 C ATOM 1579 O GLU A 99 -15.728 4.224 3.122 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.214 4.485 -0.183 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.702 5.175 -1.446 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.159 5.587 -1.359 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.430 6.709 -0.881 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -18.027 4.789 -1.769 1.00 0.00 O ATOM 0 H GLU A 99 -14.024 6.648 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.291 5.735 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.187 4.153 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.816 3.593 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.089 6.057 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.567 4.506 -2.296 1.00 0.00 H new ATOM 1591 N SER A 100 -13.594 4.255 2.411 1.00 0.00 N ATOM 1592 CA SER A 100 -13.091 3.481 3.541 1.00 0.00 C ATOM 1593 C SER A 100 -12.874 4.375 4.757 1.00 0.00 C ATOM 1594 O SER A 100 -13.251 4.024 5.876 1.00 0.00 O ATOM 1595 CB SER A 100 -11.782 2.783 3.166 1.00 0.00 C ATOM 1596 OG SER A 100 -12.019 1.689 2.298 1.00 0.00 O ATOM 0 H SER A 100 -12.880 4.530 1.737 1.00 0.00 H new ATOM 0 HA SER A 100 -13.836 2.727 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.111 3.495 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.281 2.433 4.069 1.00 0.00 H new ATOM 0 HG SER A 100 -11.167 1.261 2.072 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.262 5.533 4.531 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.993 6.479 5.609 1.00 0.00 C ATOM 1604 C PHE A 101 -12.539 7.862 5.268 1.00 0.00 C ATOM 1605 O PHE A 101 -11.890 8.644 4.572 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.488 6.563 5.877 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.810 5.224 5.911 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.892 4.419 7.036 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.090 4.769 4.818 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.267 3.187 7.069 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.464 3.538 4.846 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.553 2.745 5.973 1.00 0.00 C ATOM 0 H PHE A 101 -11.943 5.839 3.612 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.496 6.122 6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.023 7.177 5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.324 7.069 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.450 4.758 7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.017 5.384 3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.337 2.570 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.905 3.196 3.987 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.065 1.782 5.997 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.736 8.158 5.761 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.371 9.447 5.511 1.00 0.00 C ATOM 1624 C LYS A 102 -13.392 10.592 5.752 1.00 0.00 C ATOM 1625 O LYS A 102 -13.401 11.589 5.031 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.600 9.615 6.406 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.300 9.459 7.887 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.554 9.130 8.679 1.00 0.00 C ATOM 1629 CE LYS A 102 -16.239 8.884 10.147 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.453 8.998 11.001 1.00 0.00 N ATOM 0 H LYS A 102 -14.287 7.522 6.337 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.683 9.474 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.033 10.600 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.353 8.881 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.562 8.669 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.859 10.380 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.266 9.950 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.032 8.246 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.805 7.891 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.490 9.601 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.197 8.824 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.853 9.953 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.158 8.297 10.697 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.549 10.439 6.768 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.564 11.461 7.102 1.00 0.00 C ATOM 1646 C GLN A 103 -10.529 11.603 5.991 1.00 0.00 C ATOM 1647 O GLN A 103 -9.985 12.685 5.770 1.00 0.00 O ATOM 1648 CB GLN A 103 -10.869 11.117 8.422 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.600 11.640 9.648 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.235 13.073 9.979 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.058 13.437 10.000 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -12.243 13.897 10.239 1.00 0.00 N ATOM 0 H GLN A 103 -12.528 9.618 7.373 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.086 12.412 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.773 10.034 8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.859 11.527 8.409 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.675 11.572 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.369 11.004 10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.203 13.553 10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.057 14.874 10.467 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.262 10.505 5.294 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.291 10.506 4.205 1.00 0.00 C ATOM 1663 C LEU A 104 -9.992 10.572 2.852 1.00 0.00 C ATOM 1664 O LEU A 104 -10.566 9.585 2.391 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.412 9.256 4.277 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.029 9.371 3.634 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.011 9.876 4.646 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.594 8.030 3.062 1.00 0.00 C ATOM 0 H LEU A 104 -10.704 9.602 5.463 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.663 11.390 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.282 8.987 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.945 8.433 3.801 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.087 10.090 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.033 9.952 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.315 10.858 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.955 9.181 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.608 8.131 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.552 7.290 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.310 7.707 2.306 1.00 0.00 H new ATOM 1680 N ASP A 105 -9.939 11.739 2.220 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.565 11.933 0.918 1.00 0.00 C ATOM 1682 C ASP A 105 -9.529 12.326 -0.131 1.00 0.00 C ATOM 1683 O ASP A 105 -9.249 13.508 -0.332 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.652 13.005 1.005 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.916 12.496 1.667 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.806 11.727 2.646 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -14.017 12.864 1.207 1.00 0.00 O ATOM 0 H ASP A 105 -9.469 12.565 2.589 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.020 10.989 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.271 13.859 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.889 13.360 0.002 1.00 0.00 H new ATOM 1692 N THR A 106 -8.960 11.326 -0.797 1.00 0.00 N ATOM 1693 CA THR A 106 -7.953 11.565 -1.824 1.00 0.00 C ATOM 1694 C THR A 106 -7.740 10.327 -2.685 1.00 0.00 C ATOM 1695 O THR A 106 -8.089 9.214 -2.290 1.00 0.00 O ATOM 1696 CB THR A 106 -6.606 11.983 -1.203 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.706 12.412 -2.229 1.00 0.00 O ATOM 1698 CG2 THR A 106 -5.987 10.829 -0.427 1.00 0.00 C ATOM 0 H THR A 106 -9.180 10.342 -0.643 1.00 0.00 H new ATOM 0 HA THR A 106 -8.325 12.377 -2.448 1.00 0.00 H new ATOM 0 HB THR A 106 -6.789 12.807 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.853 12.678 -1.826 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.037 11.147 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.663 10.524 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.818 9.988 -1.099 1.00 0.00 H new ATOM 1706 N THR A 107 -7.162 10.525 -3.866 1.00 0.00 N ATOM 1707 CA THR A 107 -6.903 9.424 -4.785 1.00 0.00 C ATOM 1708 C THR A 107 -5.435 9.381 -5.191 1.00 0.00 C ATOM 1709 O THR A 107 -4.831 10.413 -5.489 1.00 0.00 O ATOM 1710 CB THR A 107 -7.771 9.533 -6.052 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.664 10.848 -6.607 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.228 9.226 -5.738 1.00 0.00 C ATOM 0 H THR A 107 -6.864 11.439 -4.208 1.00 0.00 H new ATOM 0 HA THR A 107 -7.159 8.505 -4.257 1.00 0.00 H new ATOM 0 HB THR A 107 -7.411 8.803 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.218 10.909 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.822 9.309 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.310 8.213 -5.343 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.598 9.935 -4.997 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.863 8.182 -5.202 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.463 8.004 -5.573 1.00 0.00 C ATOM 1722 C LEU A 108 -3.107 8.863 -6.782 1.00 0.00 C ATOM 1723 O LEU A 108 -3.343 8.473 -7.926 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.179 6.532 -5.877 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.755 5.518 -4.888 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.361 4.104 -5.284 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.287 5.828 -3.474 1.00 0.00 C ATOM 0 H LEU A 108 -5.347 7.318 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.846 8.320 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.570 6.305 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.099 6.393 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.842 5.591 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.780 3.396 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.746 3.884 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.275 4.017 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.706 5.096 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.199 5.783 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.620 6.827 -3.191 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.537 10.034 -6.521 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.144 10.948 -7.587 1.00 0.00 C ATOM 1741 C LYS A 109 -0.733 10.640 -8.077 1.00 0.00 C ATOM 1742 O LYS A 109 -0.548 10.094 -9.165 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.220 12.397 -7.098 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.587 13.031 -7.288 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.640 14.429 -6.692 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.067 14.949 -6.618 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.128 16.326 -6.054 1.00 0.00 N ATOM 0 H LYS A 109 -2.337 10.373 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.835 10.814 -8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.957 12.429 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.476 12.991 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.823 13.078 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.348 12.406 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.204 14.417 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.036 15.106 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.507 14.945 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.666 14.278 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.118 16.644 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.732 16.325 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.577 16.972 -6.655 1.00 0.00 H new ATOM 1761 N TYR A 110 0.259 10.989 -7.266 1.00 0.00 N ATOM 1762 CA TYR A 110 1.654 10.750 -7.616 1.00 0.00 C ATOM 1763 C TYR A 110 2.301 9.769 -6.644 1.00 0.00 C ATOM 1764 O TYR A 110 1.934 9.686 -5.471 1.00 0.00 O ATOM 1765 CB TYR A 110 2.433 12.066 -7.624 1.00 0.00 C ATOM 1766 CG TYR A 110 1.655 13.227 -8.201 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.636 13.466 -9.568 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.937 14.085 -7.376 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.927 14.527 -10.099 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.224 15.147 -7.898 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.223 15.364 -9.259 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.486 16.420 -9.784 1.00 0.00 O ATOM 0 H TYR A 110 0.123 11.439 -6.361 1.00 0.00 H new ATOM 0 HA TYR A 110 1.681 10.314 -8.614 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.729 12.309 -6.604 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.350 11.932 -8.199 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.185 12.811 -10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.937 13.919 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.924 14.699 -11.165 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.330 15.804 -7.243 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.927 16.911 -9.059 1.00 0.00 H new ATOM 1782 N PRO A 111 3.287 9.008 -7.140 1.00 0.00 N ATOM 1783 CA PRO A 111 4.007 8.019 -6.332 1.00 0.00 C ATOM 1784 C PRO A 111 4.904 8.669 -5.284 1.00 0.00 C ATOM 1785 O PRO A 111 4.775 9.859 -4.994 1.00 0.00 O ATOM 1786 CB PRO A 111 4.850 7.265 -7.363 1.00 0.00 C ATOM 1787 CG PRO A 111 5.033 8.231 -8.483 1.00 0.00 C ATOM 1788 CD PRO A 111 3.776 9.055 -8.528 1.00 0.00 C ATOM 0 HA PRO A 111 3.327 7.381 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.808 6.959 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.346 6.359 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.907 8.861 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.192 7.709 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.977 10.077 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.048 8.640 -9.225 1.00 0.00 H new ATOM 1796 N TYR A 112 5.812 7.882 -4.719 1.00 0.00 N ATOM 1797 CA TYR A 112 6.728 8.381 -3.701 1.00 0.00 C ATOM 1798 C TYR A 112 8.014 8.906 -4.335 1.00 0.00 C ATOM 1799 O TYR A 112 8.148 8.937 -5.558 1.00 0.00 O ATOM 1800 CB TYR A 112 7.058 7.277 -2.696 1.00 0.00 C ATOM 1801 CG TYR A 112 8.275 6.460 -3.069 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.291 5.690 -4.225 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.408 6.458 -2.266 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.400 4.942 -4.571 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.522 5.714 -2.603 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.512 4.957 -3.757 1.00 0.00 C ATOM 1807 OH TYR A 112 11.620 4.214 -4.096 1.00 0.00 O ATOM 0 H TYR A 112 5.933 6.896 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 112 6.238 9.203 -3.180 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.219 7.726 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.199 6.612 -2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.421 5.676 -4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.418 7.049 -1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.395 4.349 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.395 5.725 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 112 12.316 4.336 -3.417 1.00 0.00 H new ATOM 1817 N SER A 113 8.957 9.318 -3.493 1.00 0.00 N ATOM 1818 CA SER A 113 10.229 9.845 -3.969 1.00 0.00 C ATOM 1819 C SER A 113 10.703 9.086 -5.205 1.00 0.00 C ATOM 1820 O SER A 113 10.735 9.630 -6.308 1.00 0.00 O ATOM 1821 CB SER A 113 11.286 9.757 -2.866 1.00 0.00 C ATOM 1822 OG SER A 113 12.576 10.056 -3.372 1.00 0.00 O ATOM 0 H SER A 113 8.863 9.297 -2.478 1.00 0.00 H new ATOM 0 HA SER A 113 10.083 10.891 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.037 10.451 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.284 8.756 -2.435 1.00 0.00 H new ATOM 0 HG SER A 113 13.234 9.995 -2.648 1.00 0.00 H new