USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 76 HIS : no HD1:sc= -0.131 K(o=0.25,f=-0.59) USER MOD Set 1.2: A 77 THR OG1 : rot -150:sc= 0.381 USER MOD Set 2.1: A 45 THR OG1 : rot 160:sc= 0.367 USER MOD Set 2.2: A 60 GLN : amide:sc= 0.139 K(o=0.027,f=0.98) USER MOD Set 2.3: A 78 THR OG1 : rot -144:sc= -0.479! USER MOD Single : A 16 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.9 K(o=-2.9,f=-7.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -9.19! C(o=-9.2!,f=-9.4!) USER MOD Single : A 37 TYR OH : rot 82:sc= 0.826 USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= -0.845 (180deg=-2.26!) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0141 USER MOD Single : A 46 SER OG : rot 96:sc= 0.645 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 67:sc= 0.909 USER MOD Single : A 65 ASN : amide:sc= -2.52! C(o=-2.5!,f=-4.1!) USER MOD Single : A 70 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-0.0042) USER MOD Single : A 73 CYS SG : rot 160:sc= -0.628 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= -0.305 (180deg=-1.3) USER MOD Single : A 87 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.3!) USER MOD Single : A 93 GLN : amide:sc= -2.33 X(o=-2.3,f=-2.2) USER MOD Single : A 94 CYS SG : rot 67:sc= -2.43 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 97 CYS SG : rot -0:sc= 0.0339 USER MOD Single : A 99 THR OG1 : rot -61:sc= -2 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -166:sc=-0.00642 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 166 N VAL A 15 -8.328 -9.158 -0.680 1.00 0.00 N ATOM 167 CA VAL A 15 -7.754 -9.152 0.660 1.00 0.00 C ATOM 168 C VAL A 15 -6.596 -8.164 0.758 1.00 0.00 C ATOM 169 O VAL A 15 -5.715 -8.139 -0.100 1.00 0.00 O ATOM 170 CB VAL A 15 -7.254 -10.552 1.063 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.603 -10.512 2.437 1.00 0.00 C ATOM 172 CG2 VAL A 15 -8.398 -11.554 1.036 1.00 0.00 C ATOM 0 HA VAL A 15 -8.547 -8.847 1.342 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.503 -10.872 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.256 -11.510 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.756 -9.826 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.330 -10.171 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.027 -12.538 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.173 -11.240 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.815 -11.603 0.030 1.00 0.00 H new ATOM 182 N ASN A 16 -6.607 -7.351 1.809 1.00 0.00 N ATOM 183 CA ASN A 16 -5.557 -6.360 2.019 1.00 0.00 C ATOM 184 C ASN A 16 -4.639 -6.775 3.165 1.00 0.00 C ATOM 185 O ASN A 16 -5.091 -6.985 4.292 1.00 0.00 O ATOM 186 CB ASN A 16 -6.172 -4.991 2.313 1.00 0.00 C ATOM 187 CG ASN A 16 -7.118 -5.024 3.498 1.00 0.00 C ATOM 188 OD1 ASN A 16 -6.698 -5.234 4.636 1.00 0.00 O ATOM 189 ND2 ASN A 16 -8.403 -4.817 3.236 1.00 0.00 N ATOM 0 H ASN A 16 -7.330 -7.358 2.528 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.964 -6.296 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.376 -4.272 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.710 -4.641 1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.086 -4.828 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.707 -4.647 2.277 1.00 0.00 H new ATOM 196 N LEU A 17 -3.349 -6.889 2.870 1.00 0.00 N ATOM 197 CA LEU A 17 -2.366 -7.278 3.876 1.00 0.00 C ATOM 198 C LEU A 17 -2.044 -6.110 4.802 1.00 0.00 C ATOM 199 O LEU A 17 -1.900 -4.972 4.355 1.00 0.00 O ATOM 200 CB LEU A 17 -1.087 -7.777 3.201 1.00 0.00 C ATOM 201 CG LEU A 17 -1.274 -8.814 2.092 1.00 0.00 C ATOM 202 CD1 LEU A 17 -0.172 -8.686 1.052 1.00 0.00 C ATOM 203 CD2 LEU A 17 -1.299 -10.219 2.676 1.00 0.00 C ATOM 0 H LEU A 17 -2.959 -6.718 1.943 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.792 -8.084 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.562 -6.918 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.440 -8.205 3.966 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.230 -8.628 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.321 -9.431 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.200 -7.689 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.796 -8.846 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.433 -10.944 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.358 -10.416 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.124 -10.304 3.383 1.00 0.00 H new ATOM 215 N ALA A 18 -1.929 -6.400 6.094 1.00 0.00 N ATOM 216 CA ALA A 18 -1.619 -5.374 7.082 1.00 0.00 C ATOM 217 C ALA A 18 -0.114 -5.257 7.298 1.00 0.00 C ATOM 218 O ALA A 18 0.399 -4.177 7.591 1.00 0.00 O ATOM 219 CB ALA A 18 -2.320 -5.680 8.397 1.00 0.00 C ATOM 0 H ALA A 18 -2.046 -7.337 6.481 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.981 -4.418 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.080 -4.906 9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.398 -5.706 8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.985 -6.647 8.771 1.00 0.00 H new ATOM 225 N PHE A 19 0.589 -6.375 7.151 1.00 0.00 N ATOM 226 CA PHE A 19 2.036 -6.397 7.331 1.00 0.00 C ATOM 227 C PHE A 19 2.690 -7.379 6.363 1.00 0.00 C ATOM 228 O PHE A 19 2.396 -8.574 6.381 1.00 0.00 O ATOM 229 CB PHE A 19 2.386 -6.774 8.772 1.00 0.00 C ATOM 230 CG PHE A 19 3.751 -7.383 8.918 1.00 0.00 C ATOM 231 CD1 PHE A 19 4.850 -6.809 8.299 1.00 0.00 C ATOM 232 CD2 PHE A 19 3.936 -8.530 9.674 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.107 -7.367 8.431 1.00 0.00 C ATOM 234 CE2 PHE A 19 5.191 -9.093 9.809 1.00 0.00 C ATOM 235 CZ PHE A 19 6.278 -8.510 9.188 1.00 0.00 C ATOM 0 H PHE A 19 0.180 -7.277 6.908 1.00 0.00 H new ATOM 0 HA PHE A 19 2.418 -5.398 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.326 -5.883 9.397 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.642 -7.477 9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.722 -5.915 7.707 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.090 -8.989 10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.955 -6.910 7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.321 -9.988 10.399 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.260 -8.947 9.294 1.00 0.00 H new ATOM 245 N VAL A 20 3.578 -6.865 5.519 1.00 0.00 N ATOM 246 CA VAL A 20 4.275 -7.695 4.543 1.00 0.00 C ATOM 247 C VAL A 20 5.777 -7.708 4.805 1.00 0.00 C ATOM 248 O VAL A 20 6.409 -6.657 4.910 1.00 0.00 O ATOM 249 CB VAL A 20 4.019 -7.206 3.105 1.00 0.00 C ATOM 250 CG1 VAL A 20 4.952 -7.906 2.129 1.00 0.00 C ATOM 251 CG2 VAL A 20 2.565 -7.428 2.718 1.00 0.00 C ATOM 0 H VAL A 20 3.832 -5.878 5.491 1.00 0.00 H new ATOM 0 HA VAL A 20 3.882 -8.706 4.650 1.00 0.00 H new ATOM 0 HB VAL A 20 4.223 -6.136 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.757 -7.548 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.986 -7.691 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.783 -8.982 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.402 -7.077 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.331 -8.491 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.919 -6.876 3.400 1.00 0.00 H new ATOM 261 N LYS A 21 6.343 -8.905 4.909 1.00 0.00 N ATOM 262 CA LYS A 21 7.772 -9.057 5.157 1.00 0.00 C ATOM 263 C LYS A 21 8.588 -8.503 3.993 1.00 0.00 C ATOM 264 O LYS A 21 8.697 -9.135 2.943 1.00 0.00 O ATOM 265 CB LYS A 21 8.118 -10.531 5.380 1.00 0.00 C ATOM 266 CG LYS A 21 9.270 -10.745 6.347 1.00 0.00 C ATOM 267 CD LYS A 21 10.465 -9.875 5.993 1.00 0.00 C ATOM 268 CE LYS A 21 11.429 -9.750 7.162 1.00 0.00 C ATOM 269 NZ LYS A 21 11.001 -8.697 8.124 1.00 0.00 N ATOM 0 H LYS A 21 5.834 -9.785 4.825 1.00 0.00 H new ATOM 0 HA LYS A 21 8.022 -8.492 6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.237 -11.050 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.369 -10.986 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.942 -10.518 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.566 -11.794 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.985 -10.301 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.120 -8.884 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.499 -10.707 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.426 -9.516 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.684 -8.643 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.959 -7.779 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.061 -8.933 8.501 1.00 0.00 H new ATOM 283 N ASN A 22 9.161 -7.320 4.187 1.00 0.00 N ATOM 284 CA ASN A 22 9.967 -6.682 3.153 1.00 0.00 C ATOM 285 C ASN A 22 11.068 -5.826 3.773 1.00 0.00 C ATOM 286 O ASN A 22 11.096 -5.615 4.986 1.00 0.00 O ATOM 287 CB ASN A 22 9.085 -5.820 2.248 1.00 0.00 C ATOM 288 CG ASN A 22 8.714 -4.498 2.891 1.00 0.00 C ATOM 289 OD1 ASN A 22 9.100 -3.432 2.412 1.00 0.00 O ATOM 290 ND2 ASN A 22 7.960 -4.562 3.982 1.00 0.00 N ATOM 0 H ASN A 22 9.082 -6.784 5.051 1.00 0.00 H new ATOM 0 HA ASN A 22 10.433 -7.466 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.607 -5.631 1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.176 -6.369 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.678 -3.705 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.663 -5.468 4.344 1.00 0.00 H new ATOM 297 N ASP A 23 11.973 -5.337 2.933 1.00 0.00 N ATOM 298 CA ASP A 23 13.075 -4.502 3.397 1.00 0.00 C ATOM 299 C ASP A 23 13.361 -3.378 2.406 1.00 0.00 C ATOM 300 O ASP A 23 13.589 -3.624 1.222 1.00 0.00 O ATOM 301 CB ASP A 23 14.332 -5.349 3.602 1.00 0.00 C ATOM 302 CG ASP A 23 14.223 -6.265 4.805 1.00 0.00 C ATOM 303 OD1 ASP A 23 14.281 -5.758 5.945 1.00 0.00 O ATOM 304 OD2 ASP A 23 14.078 -7.490 4.606 1.00 0.00 O ATOM 0 H ASP A 23 11.965 -5.504 1.927 1.00 0.00 H new ATOM 0 HA ASP A 23 12.785 -4.057 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.513 -5.947 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.193 -4.692 3.726 1.00 0.00 H new ATOM 309 N SER A 24 13.345 -2.144 2.899 1.00 0.00 N ATOM 310 CA SER A 24 13.597 -0.981 2.056 1.00 0.00 C ATOM 311 C SER A 24 14.840 -0.230 2.524 1.00 0.00 C ATOM 312 O SER A 24 15.064 -0.063 3.723 1.00 0.00 O ATOM 313 CB SER A 24 12.387 -0.044 2.067 1.00 0.00 C ATOM 314 OG SER A 24 12.492 0.911 3.108 1.00 0.00 O ATOM 0 H SER A 24 13.160 -1.924 3.878 1.00 0.00 H new ATOM 0 HA SER A 24 13.767 -1.331 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.310 0.467 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.474 -0.626 2.193 1.00 0.00 H new ATOM 0 HG SER A 24 11.708 1.499 3.093 1.00 0.00 H new ATOM 320 N TYR A 25 15.645 0.221 1.568 1.00 0.00 N ATOM 321 CA TYR A 25 16.867 0.952 1.881 1.00 0.00 C ATOM 322 C TYR A 25 16.890 2.304 1.173 1.00 0.00 C ATOM 323 O TYR A 25 16.264 2.479 0.128 1.00 0.00 O ATOM 324 CB TYR A 25 18.094 0.133 1.478 1.00 0.00 C ATOM 325 CG TYR A 25 18.207 -0.096 -0.013 1.00 0.00 C ATOM 326 CD1 TYR A 25 18.811 0.846 -0.836 1.00 0.00 C ATOM 327 CD2 TYR A 25 17.708 -1.254 -0.597 1.00 0.00 C ATOM 328 CE1 TYR A 25 18.915 0.642 -2.198 1.00 0.00 C ATOM 329 CE2 TYR A 25 17.810 -1.467 -1.958 1.00 0.00 C ATOM 330 CZ TYR A 25 18.414 -0.516 -2.755 1.00 0.00 C ATOM 331 OH TYR A 25 18.515 -0.724 -4.111 1.00 0.00 O ATOM 0 H TYR A 25 15.473 0.093 0.571 1.00 0.00 H new ATOM 0 HA TYR A 25 16.891 1.125 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.992 0.643 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.058 -0.832 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.206 1.753 -0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 25 17.233 -2.000 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.386 1.385 -2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 25 17.419 -2.373 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 25 18.114 -1.588 -4.340 1.00 0.00 H new ATOM 341 N GLU A 26 17.616 3.255 1.751 1.00 0.00 N ATOM 342 CA GLU A 26 17.720 4.591 1.177 1.00 0.00 C ATOM 343 C GLU A 26 18.624 4.585 -0.053 1.00 0.00 C ATOM 344 O GLU A 26 19.843 4.458 0.058 1.00 0.00 O ATOM 345 CB GLU A 26 18.261 5.577 2.215 1.00 0.00 C ATOM 346 CG GLU A 26 17.254 5.934 3.296 1.00 0.00 C ATOM 347 CD GLU A 26 17.917 6.396 4.580 1.00 0.00 C ATOM 348 OE1 GLU A 26 18.317 7.577 4.649 1.00 0.00 O ATOM 349 OE2 GLU A 26 18.036 5.577 5.515 1.00 0.00 O ATOM 0 H GLU A 26 18.141 3.125 2.616 1.00 0.00 H new ATOM 0 HA GLU A 26 16.722 4.906 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.148 5.149 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.576 6.489 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.595 6.720 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.629 5.066 3.506 1.00 0.00 H new ATOM 356 N LYS A 27 18.016 4.724 -1.227 1.00 0.00 N ATOM 357 CA LYS A 27 18.763 4.736 -2.479 1.00 0.00 C ATOM 358 C LYS A 27 18.872 6.152 -3.035 1.00 0.00 C ATOM 359 O LYS A 27 18.012 6.995 -2.784 1.00 0.00 O ATOM 360 CB LYS A 27 18.091 3.823 -3.507 1.00 0.00 C ATOM 361 CG LYS A 27 18.978 3.483 -4.691 1.00 0.00 C ATOM 362 CD LYS A 27 18.157 3.156 -5.927 1.00 0.00 C ATOM 363 CE LYS A 27 18.854 2.126 -6.803 1.00 0.00 C ATOM 364 NZ LYS A 27 19.825 2.760 -7.738 1.00 0.00 N ATOM 0 H LYS A 27 17.007 4.830 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 27 19.768 4.366 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.786 2.899 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.184 4.305 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.640 4.323 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.613 2.633 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.180 2.778 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.984 4.066 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.375 1.405 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.109 1.571 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.279 2.025 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.325 3.429 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.550 3.269 -7.193 1.00 0.00 H new ATOM 378 N GLY A 28 19.934 6.406 -3.793 1.00 0.00 N ATOM 379 CA GLY A 28 20.134 7.721 -4.374 1.00 0.00 C ATOM 380 C GLY A 28 19.728 8.838 -3.433 1.00 0.00 C ATOM 381 O GLY A 28 19.645 8.656 -2.218 1.00 0.00 O ATOM 0 H GLY A 28 20.660 5.725 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.184 7.840 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.558 7.799 -5.296 1.00 0.00 H new ATOM 385 N PRO A 29 19.468 10.027 -3.996 1.00 0.00 N ATOM 386 CA PRO A 29 19.066 11.202 -3.217 1.00 0.00 C ATOM 387 C PRO A 29 17.663 11.060 -2.637 1.00 0.00 C ATOM 388 O PRO A 29 17.454 11.247 -1.438 1.00 0.00 O ATOM 389 CB PRO A 29 19.109 12.338 -4.241 1.00 0.00 C ATOM 390 CG PRO A 29 18.904 11.671 -5.557 1.00 0.00 C ATOM 391 CD PRO A 29 19.546 10.316 -5.438 1.00 0.00 C ATOM 0 HA PRO A 29 19.715 11.362 -2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.331 13.076 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.063 12.864 -4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.843 11.581 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.358 12.249 -6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 29 19.016 9.567 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 29 20.577 10.328 -5.790 1.00 0.00 H new ATOM 399 N ASP A 30 16.704 10.727 -3.494 1.00 0.00 N ATOM 400 CA ASP A 30 15.320 10.559 -3.066 1.00 0.00 C ATOM 401 C ASP A 30 14.774 9.206 -3.513 1.00 0.00 C ATOM 402 O ASP A 30 13.561 9.006 -3.578 1.00 0.00 O ATOM 403 CB ASP A 30 14.450 11.684 -3.627 1.00 0.00 C ATOM 404 CG ASP A 30 14.842 12.070 -5.040 1.00 0.00 C ATOM 405 OD1 ASP A 30 15.293 11.183 -5.794 1.00 0.00 O ATOM 406 OD2 ASP A 30 14.699 13.260 -5.392 1.00 0.00 O ATOM 0 H ASP A 30 16.860 10.568 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 30 15.295 10.600 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.406 11.372 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.529 12.557 -2.980 1.00 0.00 H new ATOM 411 N SER A 31 15.678 8.281 -3.821 1.00 0.00 N ATOM 412 CA SER A 31 15.287 6.949 -4.266 1.00 0.00 C ATOM 413 C SER A 31 15.128 6.004 -3.079 1.00 0.00 C ATOM 414 O SER A 31 15.915 6.039 -2.133 1.00 0.00 O ATOM 415 CB SER A 31 16.324 6.390 -5.242 1.00 0.00 C ATOM 416 OG SER A 31 16.647 7.340 -6.243 1.00 0.00 O ATOM 0 H SER A 31 16.686 8.430 -3.770 1.00 0.00 H new ATOM 0 HA SER A 31 14.326 7.030 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.226 6.110 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.938 5.483 -5.708 1.00 0.00 H new ATOM 0 HG SER A 31 17.313 6.959 -6.853 1.00 0.00 H new ATOM 422 N VAL A 32 14.103 5.159 -3.136 1.00 0.00 N ATOM 423 CA VAL A 32 13.840 4.203 -2.067 1.00 0.00 C ATOM 424 C VAL A 32 13.415 2.852 -2.630 1.00 0.00 C ATOM 425 O VAL A 32 12.291 2.691 -3.107 1.00 0.00 O ATOM 426 CB VAL A 32 12.746 4.716 -1.112 1.00 0.00 C ATOM 427 CG1 VAL A 32 12.417 3.666 -0.062 1.00 0.00 C ATOM 428 CG2 VAL A 32 13.178 6.019 -0.457 1.00 0.00 C ATOM 0 H VAL A 32 13.441 5.117 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 32 14.771 4.085 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 32 11.844 4.909 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.642 4.047 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.061 2.760 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.312 3.437 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.393 6.367 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.094 5.855 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.357 6.771 -1.226 1.00 0.00 H new ATOM 438 N VAL A 33 14.322 1.881 -2.572 1.00 0.00 N ATOM 439 CA VAL A 33 14.041 0.542 -3.075 1.00 0.00 C ATOM 440 C VAL A 33 13.383 -0.321 -2.004 1.00 0.00 C ATOM 441 O VAL A 33 13.699 -0.207 -0.820 1.00 0.00 O ATOM 442 CB VAL A 33 15.324 -0.155 -3.563 1.00 0.00 C ATOM 443 CG1 VAL A 33 15.041 -1.606 -3.920 1.00 0.00 C ATOM 444 CG2 VAL A 33 15.916 0.589 -4.750 1.00 0.00 C ATOM 0 H VAL A 33 15.257 1.997 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 33 13.357 0.657 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 33 16.054 -0.141 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.960 -2.082 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.667 -2.131 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.294 -1.647 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.822 0.082 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.192 0.609 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.158 1.610 -4.455 1.00 0.00 H new ATOM 454 N VAL A 34 12.465 -1.184 -2.428 1.00 0.00 N ATOM 455 CA VAL A 34 11.763 -2.068 -1.506 1.00 0.00 C ATOM 456 C VAL A 34 11.923 -3.528 -1.914 1.00 0.00 C ATOM 457 O VAL A 34 11.759 -3.879 -3.083 1.00 0.00 O ATOM 458 CB VAL A 34 10.262 -1.728 -1.435 1.00 0.00 C ATOM 459 CG1 VAL A 34 9.578 -2.552 -0.356 1.00 0.00 C ATOM 460 CG2 VAL A 34 10.064 -0.240 -1.188 1.00 0.00 C ATOM 0 H VAL A 34 12.190 -1.289 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 34 12.209 -1.918 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 34 9.805 -1.978 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.519 -2.298 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.690 -3.612 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.035 -2.337 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.998 -0.018 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.535 0.038 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.517 0.327 -2.001 1.00 0.00 H new ATOM 470 N HIS A 35 12.245 -4.376 -0.943 1.00 0.00 N ATOM 471 CA HIS A 35 12.427 -5.800 -1.200 1.00 0.00 C ATOM 472 C HIS A 35 11.384 -6.626 -0.453 1.00 0.00 C ATOM 473 O HIS A 35 11.504 -6.852 0.752 1.00 0.00 O ATOM 474 CB HIS A 35 13.833 -6.239 -0.789 1.00 0.00 C ATOM 475 CG HIS A 35 14.904 -5.775 -1.727 1.00 0.00 C ATOM 476 ND1 HIS A 35 16.139 -6.382 -1.819 1.00 0.00 N ATOM 477 CD2 HIS A 35 14.919 -4.757 -2.619 1.00 0.00 C ATOM 478 CE1 HIS A 35 16.868 -5.757 -2.726 1.00 0.00 C ATOM 479 NE2 HIS A 35 16.151 -4.767 -3.227 1.00 0.00 N ATOM 0 H HIS A 35 12.385 -4.102 0.029 1.00 0.00 H new ATOM 0 HA HIS A 35 12.300 -5.969 -2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.046 -5.858 0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.862 -7.327 -0.728 1.00 0.00 H new ATOM 0 HD1 HIS A 35 16.442 -7.188 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.113 -4.066 -2.816 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.878 -6.012 -3.010 1.00 0.00 H new ATOM 488 N VAL A 36 10.361 -7.072 -1.174 1.00 0.00 N ATOM 489 CA VAL A 36 9.298 -7.872 -0.579 1.00 0.00 C ATOM 490 C VAL A 36 9.617 -9.361 -0.665 1.00 0.00 C ATOM 491 O VAL A 36 9.854 -9.894 -1.749 1.00 0.00 O ATOM 492 CB VAL A 36 7.945 -7.608 -1.267 1.00 0.00 C ATOM 493 CG1 VAL A 36 6.810 -8.234 -0.471 1.00 0.00 C ATOM 494 CG2 VAL A 36 7.722 -6.114 -1.446 1.00 0.00 C ATOM 0 H VAL A 36 10.246 -6.893 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 36 9.229 -7.578 0.468 1.00 0.00 H new ATOM 0 HB VAL A 36 7.962 -8.070 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.862 -8.037 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.966 -9.310 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.787 -7.804 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.762 -5.945 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.725 -5.626 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.520 -5.698 -2.062 1.00 0.00 H new ATOM 504 N TYR A 37 9.620 -10.026 0.485 1.00 0.00 N ATOM 505 CA TYR A 37 9.911 -11.454 0.541 1.00 0.00 C ATOM 506 C TYR A 37 8.699 -12.275 0.112 1.00 0.00 C ATOM 507 O TYR A 37 7.739 -12.428 0.868 1.00 0.00 O ATOM 508 CB TYR A 37 10.338 -11.853 1.955 1.00 0.00 C ATOM 509 CG TYR A 37 11.676 -11.283 2.367 1.00 0.00 C ATOM 510 CD1 TYR A 37 12.324 -10.340 1.579 1.00 0.00 C ATOM 511 CD2 TYR A 37 12.293 -11.689 3.544 1.00 0.00 C ATOM 512 CE1 TYR A 37 13.547 -9.817 1.952 1.00 0.00 C ATOM 513 CE2 TYR A 37 13.515 -11.170 3.925 1.00 0.00 C ATOM 514 CZ TYR A 37 14.138 -10.235 3.126 1.00 0.00 C ATOM 515 OH TYR A 37 15.357 -9.717 3.501 1.00 0.00 O ATOM 0 H TYR A 37 9.424 -9.599 1.391 1.00 0.00 H new ATOM 0 HA TYR A 37 10.728 -11.660 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.578 -11.521 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.380 -12.940 2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.864 -10.010 0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.809 -12.423 4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.038 -9.085 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.980 -11.495 4.844 1.00 0.00 H new ATOM 0 HH TYR A 37 15.223 -8.851 3.940 1.00 0.00 H new ATOM 525 N VAL A 38 8.750 -12.801 -1.107 1.00 0.00 N ATOM 526 CA VAL A 38 7.658 -13.608 -1.638 1.00 0.00 C ATOM 527 C VAL A 38 8.039 -14.238 -2.973 1.00 0.00 C ATOM 528 O VAL A 38 8.784 -13.652 -3.759 1.00 0.00 O ATOM 529 CB VAL A 38 6.380 -12.770 -1.825 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.554 -11.775 -2.962 1.00 0.00 C ATOM 531 CG2 VAL A 38 5.182 -13.674 -2.075 1.00 0.00 C ATOM 0 H VAL A 38 9.536 -12.683 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 38 7.464 -14.396 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 38 6.198 -12.209 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.640 -11.192 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.385 -11.106 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.762 -12.312 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.287 -13.065 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.353 -14.264 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.046 -14.342 -1.224 1.00 0.00 H new ATOM 541 N LYS A 39 7.523 -15.437 -3.224 1.00 0.00 N ATOM 542 CA LYS A 39 7.806 -16.148 -4.465 1.00 0.00 C ATOM 543 C LYS A 39 6.528 -16.727 -5.064 1.00 0.00 C ATOM 544 O LYS A 39 5.443 -16.565 -4.508 1.00 0.00 O ATOM 545 CB LYS A 39 8.818 -17.268 -4.215 1.00 0.00 C ATOM 546 CG LYS A 39 9.798 -16.964 -3.095 1.00 0.00 C ATOM 547 CD LYS A 39 10.821 -18.076 -2.933 1.00 0.00 C ATOM 548 CE LYS A 39 11.339 -18.558 -4.279 1.00 0.00 C ATOM 549 NZ LYS A 39 10.477 -19.626 -4.855 1.00 0.00 N ATOM 0 H LYS A 39 6.906 -15.937 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 39 8.228 -15.436 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.280 -18.186 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.375 -17.454 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.310 -16.025 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.254 -16.830 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.655 -17.719 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.371 -18.910 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.387 -17.718 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.355 -18.935 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.034 -20.496 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.679 -19.811 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.115 -19.319 -5.780 1.00 0.00 H new ATOM 563 N GLU A 40 6.666 -17.402 -6.201 1.00 0.00 N ATOM 564 CA GLU A 40 5.522 -18.005 -6.874 1.00 0.00 C ATOM 565 C GLU A 40 4.406 -16.983 -7.071 1.00 0.00 C ATOM 566 O GLU A 40 3.226 -17.300 -6.918 1.00 0.00 O ATOM 567 CB GLU A 40 5.000 -19.198 -6.070 1.00 0.00 C ATOM 568 CG GLU A 40 6.099 -20.024 -5.423 1.00 0.00 C ATOM 569 CD GLU A 40 5.720 -21.484 -5.272 1.00 0.00 C ATOM 570 OE1 GLU A 40 4.702 -21.897 -5.867 1.00 0.00 O ATOM 571 OE2 GLU A 40 6.439 -22.214 -4.559 1.00 0.00 O ATOM 0 H GLU A 40 7.558 -17.545 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 40 5.851 -18.352 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.325 -18.835 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.414 -19.840 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.006 -19.948 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.330 -19.609 -4.442 1.00 0.00 H new ATOM 578 N ILE A 41 4.789 -15.757 -7.412 1.00 0.00 N ATOM 579 CA ILE A 41 3.821 -14.689 -7.630 1.00 0.00 C ATOM 580 C ILE A 41 3.384 -14.634 -9.090 1.00 0.00 C ATOM 581 O ILE A 41 4.132 -15.023 -9.988 1.00 0.00 O ATOM 582 CB ILE A 41 4.395 -13.318 -7.226 1.00 0.00 C ATOM 583 CG1 ILE A 41 4.316 -13.135 -5.709 1.00 0.00 C ATOM 584 CG2 ILE A 41 3.649 -12.200 -7.939 1.00 0.00 C ATOM 585 CD1 ILE A 41 4.223 -11.688 -5.279 1.00 0.00 C ATOM 0 H ILE A 41 5.762 -15.479 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 41 2.958 -14.912 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 41 5.443 -13.277 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.448 -13.674 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.196 -13.586 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.066 -11.238 -7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.752 -12.324 -9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.594 -12.236 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.170 -11.634 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.104 -11.148 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.328 -11.238 -5.708 1.00 0.00 H new ATOM 597 N CYS A 42 2.170 -14.146 -9.320 1.00 0.00 N ATOM 598 CA CYS A 42 1.633 -14.039 -10.672 1.00 0.00 C ATOM 599 C CYS A 42 1.732 -12.605 -11.184 1.00 0.00 C ATOM 600 O CYS A 42 0.942 -11.742 -10.799 1.00 0.00 O ATOM 601 CB CYS A 42 0.176 -14.505 -10.703 1.00 0.00 C ATOM 602 SG CYS A 42 -0.328 -15.246 -12.273 1.00 0.00 S ATOM 0 H CYS A 42 1.539 -13.818 -8.588 1.00 0.00 H new ATOM 0 HA CYS A 42 2.226 -14.680 -11.324 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.021 -15.231 -9.905 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.471 -13.654 -10.491 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.574 -15.610 -12.201 1.00 0.00 H new ATOM 608 N ARG A 43 2.707 -12.358 -12.052 1.00 0.00 N ATOM 609 CA ARG A 43 2.912 -11.029 -12.614 1.00 0.00 C ATOM 610 C ARG A 43 1.787 -10.668 -13.580 1.00 0.00 C ATOM 611 O ARG A 43 1.776 -9.582 -14.159 1.00 0.00 O ATOM 612 CB ARG A 43 4.259 -10.958 -13.335 1.00 0.00 C ATOM 613 CG ARG A 43 5.444 -11.295 -12.445 1.00 0.00 C ATOM 614 CD ARG A 43 6.764 -11.082 -13.170 1.00 0.00 C ATOM 615 NE ARG A 43 6.866 -9.741 -13.738 1.00 0.00 N ATOM 616 CZ ARG A 43 6.388 -9.411 -14.933 1.00 0.00 C ATOM 617 NH1 ARG A 43 5.779 -10.319 -15.681 1.00 0.00 N ATOM 618 NH2 ARG A 43 6.520 -8.169 -15.381 1.00 0.00 N ATOM 0 H ARG A 43 3.368 -13.062 -12.382 1.00 0.00 H new ATOM 0 HA ARG A 43 2.909 -10.311 -11.794 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.245 -11.644 -14.182 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.393 -9.955 -13.739 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.416 -10.675 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.371 -12.332 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.589 -11.246 -12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.864 -11.821 -13.965 1.00 0.00 H new ATOM 0 HE ARG A 43 7.329 -9.018 -13.188 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.676 -11.275 -15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.413 -10.062 -16.598 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.989 -7.467 -14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.153 -7.916 -16.298 1.00 0.00 H new ATOM 632 N ASP A 44 0.842 -11.587 -13.749 1.00 0.00 N ATOM 633 CA ASP A 44 -0.288 -11.366 -14.644 1.00 0.00 C ATOM 634 C ASP A 44 -1.462 -10.743 -13.894 1.00 0.00 C ATOM 635 O ASP A 44 -2.186 -9.908 -14.436 1.00 0.00 O ATOM 636 CB ASP A 44 -0.721 -12.684 -15.288 1.00 0.00 C ATOM 637 CG ASP A 44 0.304 -13.210 -16.274 1.00 0.00 C ATOM 638 OD1 ASP A 44 0.852 -12.399 -17.050 1.00 0.00 O ATOM 639 OD2 ASP A 44 0.558 -14.432 -16.270 1.00 0.00 O ATOM 0 H ASP A 44 0.836 -12.492 -13.278 1.00 0.00 H new ATOM 0 HA ASP A 44 0.029 -10.675 -15.425 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.887 -13.428 -14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.673 -12.540 -15.800 1.00 0.00 H new ATOM 644 N THR A 45 -1.644 -11.155 -12.643 1.00 0.00 N ATOM 645 CA THR A 45 -2.730 -10.639 -11.820 1.00 0.00 C ATOM 646 C THR A 45 -2.194 -9.805 -10.662 1.00 0.00 C ATOM 647 O THR A 45 -2.939 -9.435 -9.754 1.00 0.00 O ATOM 648 CB THR A 45 -3.599 -11.780 -11.257 1.00 0.00 C ATOM 649 OG1 THR A 45 -2.838 -12.564 -10.331 1.00 0.00 O ATOM 650 CG2 THR A 45 -4.116 -12.669 -12.377 1.00 0.00 C ATOM 0 H THR A 45 -1.053 -11.844 -12.178 1.00 0.00 H new ATOM 0 HA THR A 45 -3.343 -10.009 -12.464 1.00 0.00 H new ATOM 0 HB THR A 45 -4.452 -11.338 -10.743 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.447 -13.062 -9.746 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.727 -13.467 -11.955 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.719 -12.075 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.273 -13.103 -12.916 1.00 0.00 H new ATOM 658 N SER A 46 -0.898 -9.512 -10.700 1.00 0.00 N ATOM 659 CA SER A 46 -0.262 -8.724 -9.651 1.00 0.00 C ATOM 660 C SER A 46 0.145 -7.350 -10.175 1.00 0.00 C ATOM 661 O SER A 46 0.937 -7.241 -11.112 1.00 0.00 O ATOM 662 CB SER A 46 0.965 -9.458 -9.105 1.00 0.00 C ATOM 663 OG SER A 46 0.614 -10.739 -8.610 1.00 0.00 O ATOM 0 H SER A 46 -0.268 -9.808 -11.446 1.00 0.00 H new ATOM 0 HA SER A 46 -0.983 -8.588 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.712 -9.561 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.421 -8.869 -8.309 1.00 0.00 H new ATOM 0 HG SER A 46 0.769 -11.412 -9.305 1.00 0.00 H new ATOM 669 N ARG A 47 -0.402 -6.305 -9.564 1.00 0.00 N ATOM 670 CA ARG A 47 -0.098 -4.938 -9.969 1.00 0.00 C ATOM 671 C ARG A 47 0.240 -4.074 -8.757 1.00 0.00 C ATOM 672 O ARG A 47 0.162 -4.530 -7.616 1.00 0.00 O ATOM 673 CB ARG A 47 -1.281 -4.332 -10.727 1.00 0.00 C ATOM 674 CG ARG A 47 -2.536 -4.188 -9.881 1.00 0.00 C ATOM 675 CD ARG A 47 -2.598 -2.829 -9.203 1.00 0.00 C ATOM 676 NE ARG A 47 -3.944 -2.264 -9.230 1.00 0.00 N ATOM 677 CZ ARG A 47 -5.001 -2.856 -8.684 1.00 0.00 C ATOM 678 NH1 ARG A 47 -4.867 -4.024 -8.071 1.00 0.00 N ATOM 679 NH2 ARG A 47 -6.194 -2.280 -8.750 1.00 0.00 N ATOM 0 H ARG A 47 -1.058 -6.379 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 47 0.770 -4.966 -10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.994 -3.351 -11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.506 -4.956 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.417 -4.323 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.559 -4.974 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.266 -2.924 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.908 -2.145 -9.698 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.080 -1.366 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.951 -4.470 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.680 -4.477 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.301 -1.381 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.004 -2.736 -8.330 1.00 0.00 H new ATOM 693 N VAL A 48 0.614 -2.825 -9.013 1.00 0.00 N ATOM 694 CA VAL A 48 0.963 -1.897 -7.944 1.00 0.00 C ATOM 695 C VAL A 48 0.443 -0.495 -8.241 1.00 0.00 C ATOM 696 O VAL A 48 0.692 0.057 -9.314 1.00 0.00 O ATOM 697 CB VAL A 48 2.487 -1.833 -7.731 1.00 0.00 C ATOM 698 CG1 VAL A 48 2.832 -0.839 -6.632 1.00 0.00 C ATOM 699 CG2 VAL A 48 3.038 -3.213 -7.406 1.00 0.00 C ATOM 0 H VAL A 48 0.683 -2.432 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 48 0.492 -2.271 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 48 2.951 -1.490 -8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.913 -0.808 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.473 0.151 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.358 -1.148 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.116 -3.149 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.569 -3.587 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.824 -3.893 -8.230 1.00 0.00 H new ATOM 709 N LEU A 49 -0.281 0.076 -7.285 1.00 0.00 N ATOM 710 CA LEU A 49 -0.837 1.416 -7.444 1.00 0.00 C ATOM 711 C LEU A 49 -0.035 2.437 -6.643 1.00 0.00 C ATOM 712 O LEU A 49 -0.097 2.465 -5.414 1.00 0.00 O ATOM 713 CB LEU A 49 -2.300 1.438 -6.999 1.00 0.00 C ATOM 714 CG LEU A 49 -3.230 0.447 -7.700 1.00 0.00 C ATOM 715 CD1 LEU A 49 -4.540 0.314 -6.939 1.00 0.00 C ATOM 716 CD2 LEU A 49 -3.486 0.880 -9.136 1.00 0.00 C ATOM 0 H LEU A 49 -0.497 -0.367 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.780 1.683 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.336 1.243 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.691 2.444 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.744 -0.528 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.189 -0.395 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.339 -0.044 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.032 1.285 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.150 0.163 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.951 1.866 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.541 0.922 -9.677 1.00 0.00 H new ATOM 728 N PHE A 50 0.717 3.275 -7.349 1.00 0.00 N ATOM 729 CA PHE A 50 1.531 4.299 -6.704 1.00 0.00 C ATOM 730 C PHE A 50 0.721 5.572 -6.473 1.00 0.00 C ATOM 731 O PHE A 50 0.366 6.275 -7.420 1.00 0.00 O ATOM 732 CB PHE A 50 2.763 4.613 -7.556 1.00 0.00 C ATOM 733 CG PHE A 50 3.753 3.484 -7.616 1.00 0.00 C ATOM 734 CD1 PHE A 50 4.469 3.113 -6.490 1.00 0.00 C ATOM 735 CD2 PHE A 50 3.966 2.795 -8.799 1.00 0.00 C ATOM 736 CE1 PHE A 50 5.381 2.076 -6.543 1.00 0.00 C ATOM 737 CE2 PHE A 50 4.876 1.756 -8.857 1.00 0.00 C ATOM 738 CZ PHE A 50 5.584 1.396 -7.728 1.00 0.00 C ATOM 0 H PHE A 50 0.780 3.265 -8.367 1.00 0.00 H new ATOM 0 HA PHE A 50 1.855 3.914 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.442 4.859 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.257 5.498 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.313 3.640 -5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.415 3.073 -9.685 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.935 1.797 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.033 1.226 -9.785 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.295 0.584 -7.771 1.00 0.00 H new ATOM 748 N ARG A 51 0.433 5.862 -5.209 1.00 0.00 N ATOM 749 CA ARG A 51 -0.336 7.048 -4.853 1.00 0.00 C ATOM 750 C ARG A 51 0.587 8.230 -4.570 1.00 0.00 C ATOM 751 O ARG A 51 1.805 8.124 -4.709 1.00 0.00 O ATOM 752 CB ARG A 51 -1.211 6.767 -3.630 1.00 0.00 C ATOM 753 CG ARG A 51 -2.592 6.238 -3.978 1.00 0.00 C ATOM 754 CD ARG A 51 -3.541 7.364 -4.358 1.00 0.00 C ATOM 755 NE ARG A 51 -3.288 7.862 -5.707 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.768 7.287 -6.805 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.523 6.200 -6.712 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.494 7.799 -7.998 1.00 0.00 N ATOM 0 H ARG A 51 0.721 5.292 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.976 7.302 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.705 6.044 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.318 7.685 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.514 5.532 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.998 5.690 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.570 7.010 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.437 8.182 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.711 8.697 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.736 5.804 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.890 5.760 -7.556 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.914 8.635 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.863 7.357 -8.840 1.00 0.00 H new ATOM 772 N GLU A 52 -0.002 9.353 -4.173 1.00 0.00 N ATOM 773 CA GLU A 52 0.768 10.554 -3.872 1.00 0.00 C ATOM 774 C GLU A 52 1.288 10.522 -2.438 1.00 0.00 C ATOM 775 O GLU A 52 2.418 10.929 -2.168 1.00 0.00 O ATOM 776 CB GLU A 52 -0.089 11.804 -4.087 1.00 0.00 C ATOM 777 CG GLU A 52 -1.235 11.933 -3.099 1.00 0.00 C ATOM 778 CD GLU A 52 -2.358 12.809 -3.619 1.00 0.00 C ATOM 779 OE1 GLU A 52 -2.062 13.787 -4.338 1.00 0.00 O ATOM 780 OE2 GLU A 52 -3.532 12.518 -3.308 1.00 0.00 O ATOM 0 H GLU A 52 -1.010 9.456 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 52 1.621 10.586 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.546 12.687 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.493 11.788 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.628 10.942 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.859 12.348 -2.164 1.00 0.00 H new ATOM 787 N GLN A 53 0.456 10.036 -1.523 1.00 0.00 N ATOM 788 CA GLN A 53 0.831 9.952 -0.117 1.00 0.00 C ATOM 789 C GLN A 53 0.847 8.502 0.357 1.00 0.00 C ATOM 790 O GLN A 53 0.758 8.229 1.554 1.00 0.00 O ATOM 791 CB GLN A 53 -0.136 10.770 0.741 1.00 0.00 C ATOM 792 CG GLN A 53 0.418 11.125 2.111 1.00 0.00 C ATOM 793 CD GLN A 53 -0.670 11.304 3.152 1.00 0.00 C ATOM 794 OE1 GLN A 53 -1.266 12.375 3.266 1.00 0.00 O ATOM 795 NE2 GLN A 53 -0.936 10.252 3.917 1.00 0.00 N ATOM 0 H GLN A 53 -0.482 9.694 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 53 1.836 10.361 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.390 11.688 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.061 10.208 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.102 10.341 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.999 12.044 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.417 9.383 3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.659 10.312 4.634 1.00 0.00 H new ATOM 804 N ASP A 54 0.959 7.577 -0.590 1.00 0.00 N ATOM 805 CA ASP A 54 0.987 6.154 -0.270 1.00 0.00 C ATOM 806 C ASP A 54 1.265 5.322 -1.518 1.00 0.00 C ATOM 807 O ASP A 54 1.475 5.863 -2.604 1.00 0.00 O ATOM 808 CB ASP A 54 -0.339 5.725 0.360 1.00 0.00 C ATOM 809 CG ASP A 54 -1.535 6.363 -0.319 1.00 0.00 C ATOM 810 OD1 ASP A 54 -1.623 7.608 -0.320 1.00 0.00 O ATOM 811 OD2 ASP A 54 -2.384 5.616 -0.849 1.00 0.00 O ATOM 0 H ASP A 54 1.032 7.787 -1.586 1.00 0.00 H new ATOM 0 HA ASP A 54 1.792 5.983 0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.430 4.640 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.339 5.992 1.417 1.00 0.00 H new ATOM 816 N PHE A 55 1.266 4.003 -1.355 1.00 0.00 N ATOM 817 CA PHE A 55 1.520 3.095 -2.467 1.00 0.00 C ATOM 818 C PHE A 55 0.986 1.699 -2.163 1.00 0.00 C ATOM 819 O PHE A 55 1.435 1.040 -1.225 1.00 0.00 O ATOM 820 CB PHE A 55 3.020 3.026 -2.764 1.00 0.00 C ATOM 821 CG PHE A 55 3.762 2.063 -1.883 1.00 0.00 C ATOM 822 CD1 PHE A 55 3.787 0.710 -2.180 1.00 0.00 C ATOM 823 CD2 PHE A 55 4.433 2.511 -0.757 1.00 0.00 C ATOM 824 CE1 PHE A 55 4.470 -0.179 -1.371 1.00 0.00 C ATOM 825 CE2 PHE A 55 5.118 1.627 0.056 1.00 0.00 C ATOM 826 CZ PHE A 55 5.135 0.280 -0.251 1.00 0.00 C ATOM 0 H PHE A 55 1.094 3.539 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 55 1.000 3.480 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.163 2.737 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.452 4.020 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.267 0.346 -3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.421 3.563 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.484 -1.231 -1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.639 1.989 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.667 -0.413 0.384 1.00 0.00 H new ATOM 836 N THR A 56 0.022 1.253 -2.963 1.00 0.00 N ATOM 837 CA THR A 56 -0.576 -0.063 -2.780 1.00 0.00 C ATOM 838 C THR A 56 0.079 -1.096 -3.689 1.00 0.00 C ATOM 839 O THR A 56 0.455 -0.792 -4.822 1.00 0.00 O ATOM 840 CB THR A 56 -2.090 -0.037 -3.059 1.00 0.00 C ATOM 841 OG1 THR A 56 -2.662 1.171 -2.544 1.00 0.00 O ATOM 842 CG2 THR A 56 -2.778 -1.239 -2.430 1.00 0.00 C ATOM 0 H THR A 56 -0.361 1.785 -3.744 1.00 0.00 H new ATOM 0 HA THR A 56 -0.411 -0.342 -1.739 1.00 0.00 H new ATOM 0 HB THR A 56 -2.239 -0.078 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.625 1.181 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.847 -1.198 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.361 -2.156 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.620 -1.225 -1.352 1.00 0.00 H new ATOM 850 N LEU A 57 0.213 -2.319 -3.188 1.00 0.00 N ATOM 851 CA LEU A 57 0.822 -3.399 -3.957 1.00 0.00 C ATOM 852 C LEU A 57 -0.090 -4.620 -3.998 1.00 0.00 C ATOM 853 O LEU A 57 -0.259 -5.316 -2.996 1.00 0.00 O ATOM 854 CB LEU A 57 2.176 -3.779 -3.354 1.00 0.00 C ATOM 855 CG LEU A 57 2.640 -5.215 -3.600 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.082 -5.394 -5.044 1.00 0.00 C ATOM 857 CD2 LEU A 57 3.768 -5.582 -2.646 1.00 0.00 C ATOM 0 H LEU A 57 -0.092 -2.588 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 57 0.971 -3.046 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.931 -3.101 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.132 -3.612 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 57 1.800 -5.884 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.409 -6.422 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.248 -5.174 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.907 -4.715 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.086 -6.607 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.610 -4.907 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.418 -5.495 -1.618 1.00 0.00 H new ATOM 869 N ILE A 58 -0.674 -4.877 -5.163 1.00 0.00 N ATOM 870 CA ILE A 58 -1.567 -6.017 -5.336 1.00 0.00 C ATOM 871 C ILE A 58 -0.867 -7.157 -6.067 1.00 0.00 C ATOM 872 O ILE A 58 -0.461 -7.013 -7.220 1.00 0.00 O ATOM 873 CB ILE A 58 -2.836 -5.625 -6.115 1.00 0.00 C ATOM 874 CG1 ILE A 58 -3.690 -4.660 -5.289 1.00 0.00 C ATOM 875 CG2 ILE A 58 -3.635 -6.866 -6.483 1.00 0.00 C ATOM 876 CD1 ILE A 58 -3.121 -3.261 -5.215 1.00 0.00 C ATOM 0 H ILE A 58 -0.545 -4.311 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.852 -6.349 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.539 -5.121 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.691 -4.614 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.795 -5.055 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.529 -6.573 -7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.024 -7.521 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.925 -7.395 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.778 -2.632 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.132 -3.294 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.042 -2.847 -6.220 1.00 0.00 H new ATOM 888 N PHE A 59 -0.730 -8.292 -5.388 1.00 0.00 N ATOM 889 CA PHE A 59 -0.080 -9.459 -5.973 1.00 0.00 C ATOM 890 C PHE A 59 -0.617 -10.747 -5.356 1.00 0.00 C ATOM 891 O PHE A 59 -0.888 -10.806 -4.157 1.00 0.00 O ATOM 892 CB PHE A 59 1.435 -9.378 -5.775 1.00 0.00 C ATOM 893 CG PHE A 59 1.872 -9.675 -4.370 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.740 -10.950 -3.844 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.417 -8.679 -3.574 1.00 0.00 C ATOM 896 CE1 PHE A 59 2.141 -11.226 -2.550 1.00 0.00 C ATOM 897 CE2 PHE A 59 2.820 -8.949 -2.280 1.00 0.00 C ATOM 898 CZ PHE A 59 2.683 -10.224 -1.768 1.00 0.00 C ATOM 0 H PHE A 59 -1.060 -8.428 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.300 -9.469 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.920 -10.079 -6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.777 -8.380 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.319 -11.737 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.528 -7.680 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.031 -12.223 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.242 -8.164 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.999 -10.438 -0.758 1.00 0.00 H new ATOM 908 N GLN A 60 -0.768 -11.775 -6.185 1.00 0.00 N ATOM 909 CA GLN A 60 -1.273 -13.062 -5.721 1.00 0.00 C ATOM 910 C GLN A 60 -0.153 -14.095 -5.654 1.00 0.00 C ATOM 911 O GLN A 60 0.330 -14.570 -6.682 1.00 0.00 O ATOM 912 CB GLN A 60 -2.387 -13.559 -6.644 1.00 0.00 C ATOM 913 CG GLN A 60 -3.745 -12.945 -6.344 1.00 0.00 C ATOM 914 CD GLN A 60 -4.742 -13.157 -7.466 1.00 0.00 C ATOM 915 OE1 GLN A 60 -4.565 -14.034 -8.311 1.00 0.00 O ATOM 916 NE2 GLN A 60 -5.799 -12.352 -7.480 1.00 0.00 N ATOM 0 H GLN A 60 -0.548 -11.742 -7.180 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.676 -12.925 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.118 -13.338 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.461 -14.643 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.140 -13.378 -5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.625 -11.876 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.906 -11.638 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.503 -12.448 -8.211 1.00 0.00 H new ATOM 925 N THR A 61 0.257 -14.438 -4.437 1.00 0.00 N ATOM 926 CA THR A 61 1.321 -15.413 -4.236 1.00 0.00 C ATOM 927 C THR A 61 0.751 -16.794 -3.934 1.00 0.00 C ATOM 928 O THR A 61 -0.273 -16.920 -3.263 1.00 0.00 O ATOM 929 CB THR A 61 2.257 -14.994 -3.087 1.00 0.00 C ATOM 930 OG1 THR A 61 3.381 -15.879 -3.023 1.00 0.00 O ATOM 931 CG2 THR A 61 1.520 -15.005 -1.756 1.00 0.00 C ATOM 0 H THR A 61 -0.132 -14.055 -3.576 1.00 0.00 H new ATOM 0 HA THR A 61 1.892 -15.453 -5.164 1.00 0.00 H new ATOM 0 HB THR A 61 2.604 -13.980 -3.283 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.934 -15.763 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.202 -14.706 -0.960 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.683 -14.308 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.146 -16.009 -1.555 1.00 0.00 H new ATOM 939 N ARG A 62 1.422 -17.828 -4.433 1.00 0.00 N ATOM 940 CA ARG A 62 0.981 -19.201 -4.216 1.00 0.00 C ATOM 941 C ARG A 62 2.050 -20.006 -3.484 1.00 0.00 C ATOM 942 O ARG A 62 1.991 -21.235 -3.435 1.00 0.00 O ATOM 943 CB ARG A 62 0.649 -19.869 -5.552 1.00 0.00 C ATOM 944 CG ARG A 62 1.870 -20.149 -6.413 1.00 0.00 C ATOM 945 CD ARG A 62 1.489 -20.347 -7.872 1.00 0.00 C ATOM 946 NE ARG A 62 1.196 -21.745 -8.175 1.00 0.00 N ATOM 947 CZ ARG A 62 0.451 -22.133 -9.205 1.00 0.00 C ATOM 948 NH1 ARG A 62 -0.072 -21.232 -10.025 1.00 0.00 N ATOM 949 NH2 ARG A 62 0.229 -23.424 -9.416 1.00 0.00 N ATOM 0 H ARG A 62 2.272 -17.741 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 62 0.084 -19.175 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.128 -20.807 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.038 -19.230 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.574 -19.321 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.380 -21.039 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.618 -19.735 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.302 -20.000 -8.510 1.00 0.00 H new ATOM 0 HE ARG A 62 1.584 -22.463 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.097 -20.239 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.643 -21.532 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.630 -24.120 -8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.343 -23.721 -10.207 1.00 0.00 H new ATOM 963 N ASP A 63 3.026 -19.305 -2.918 1.00 0.00 N ATOM 964 CA ASP A 63 4.109 -19.954 -2.188 1.00 0.00 C ATOM 965 C ASP A 63 3.646 -20.386 -0.799 1.00 0.00 C ATOM 966 O ASP A 63 3.356 -19.551 0.057 1.00 0.00 O ATOM 967 CB ASP A 63 5.309 -19.013 -2.069 1.00 0.00 C ATOM 968 CG ASP A 63 6.586 -19.746 -1.709 1.00 0.00 C ATOM 969 OD1 ASP A 63 6.622 -20.385 -0.636 1.00 0.00 O ATOM 970 OD2 ASP A 63 7.550 -19.682 -2.500 1.00 0.00 O ATOM 0 H ASP A 63 3.090 -18.288 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 63 4.408 -20.842 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.449 -18.487 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.101 -18.258 -1.311 1.00 0.00 H new ATOM 975 N GLY A 64 3.579 -21.696 -0.584 1.00 0.00 N ATOM 976 CA GLY A 64 3.149 -22.216 0.701 1.00 0.00 C ATOM 977 C GLY A 64 3.857 -21.547 1.862 1.00 0.00 C ATOM 978 O GLY A 64 3.362 -21.557 2.988 1.00 0.00 O ATOM 0 H GLY A 64 3.815 -22.407 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.073 -22.075 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.335 -23.290 0.736 1.00 0.00 H new ATOM 982 N ASN A 65 5.020 -20.965 1.589 1.00 0.00 N ATOM 983 CA ASN A 65 5.799 -20.291 2.621 1.00 0.00 C ATOM 984 C ASN A 65 5.174 -18.947 2.983 1.00 0.00 C ATOM 985 O ASN A 65 5.147 -18.556 4.150 1.00 0.00 O ATOM 986 CB ASN A 65 7.240 -20.085 2.150 1.00 0.00 C ATOM 987 CG ASN A 65 7.822 -21.331 1.511 1.00 0.00 C ATOM 988 OD1 ASN A 65 7.281 -22.427 1.654 1.00 0.00 O ATOM 989 ND2 ASN A 65 8.932 -21.167 0.800 1.00 0.00 N ATOM 0 H ASN A 65 5.444 -20.947 0.661 1.00 0.00 H new ATOM 0 HA ASN A 65 5.801 -20.923 3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.272 -19.264 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.859 -19.792 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.370 -21.969 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.346 -20.240 0.708 1.00 0.00 H new ATOM 996 N PHE A 66 4.671 -18.243 1.973 1.00 0.00 N ATOM 997 CA PHE A 66 4.046 -16.943 2.184 1.00 0.00 C ATOM 998 C PHE A 66 2.588 -17.102 2.604 1.00 0.00 C ATOM 999 O PHE A 66 2.074 -16.326 3.411 1.00 0.00 O ATOM 1000 CB PHE A 66 4.133 -16.099 0.910 1.00 0.00 C ATOM 1001 CG PHE A 66 3.717 -14.670 1.109 1.00 0.00 C ATOM 1002 CD1 PHE A 66 2.381 -14.339 1.269 1.00 0.00 C ATOM 1003 CD2 PHE A 66 4.662 -13.657 1.135 1.00 0.00 C ATOM 1004 CE1 PHE A 66 1.996 -13.024 1.451 1.00 0.00 C ATOM 1005 CE2 PHE A 66 4.283 -12.340 1.317 1.00 0.00 C ATOM 1006 CZ PHE A 66 2.948 -12.024 1.476 1.00 0.00 C ATOM 0 H PHE A 66 4.684 -18.552 1.001 1.00 0.00 H new ATOM 0 HA PHE A 66 4.583 -16.435 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.157 -16.123 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.504 -16.549 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.632 -15.117 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.707 -13.899 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.951 -12.779 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.029 -11.560 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.649 -10.996 1.620 1.00 0.00 H new ATOM 1016 N LEU A 67 1.927 -18.113 2.052 1.00 0.00 N ATOM 1017 CA LEU A 67 0.527 -18.375 2.368 1.00 0.00 C ATOM 1018 C LEU A 67 0.369 -18.815 3.819 1.00 0.00 C ATOM 1019 O LEU A 67 -0.435 -18.255 4.564 1.00 0.00 O ATOM 1020 CB LEU A 67 -0.035 -19.448 1.434 1.00 0.00 C ATOM 1021 CG LEU A 67 -0.388 -18.988 0.018 1.00 0.00 C ATOM 1022 CD1 LEU A 67 -1.043 -20.117 -0.762 1.00 0.00 C ATOM 1023 CD2 LEU A 67 -1.299 -17.770 0.065 1.00 0.00 C ATOM 0 H LEU A 67 2.338 -18.765 1.383 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.031 -17.449 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.693 -20.256 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.931 -19.867 1.892 1.00 0.00 H new ATOM 0 HG LEU A 67 0.533 -18.708 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.287 -19.771 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.357 -20.961 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.956 -20.429 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.540 -17.456 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.218 -18.023 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.793 -16.957 0.585 1.00 0.00 H new ATOM 1035 N ARG A 68 1.145 -19.819 4.215 1.00 0.00 N ATOM 1036 CA ARG A 68 1.092 -20.334 5.578 1.00 0.00 C ATOM 1037 C ARG A 68 1.020 -19.192 6.588 1.00 0.00 C ATOM 1038 O ARG A 68 0.291 -19.269 7.578 1.00 0.00 O ATOM 1039 CB ARG A 68 2.317 -21.205 5.864 1.00 0.00 C ATOM 1040 CG ARG A 68 3.570 -20.408 6.187 1.00 0.00 C ATOM 1041 CD ARG A 68 4.797 -21.303 6.254 1.00 0.00 C ATOM 1042 NE ARG A 68 6.032 -20.531 6.361 1.00 0.00 N ATOM 1043 CZ ARG A 68 6.494 -20.038 7.505 1.00 0.00 C ATOM 1044 NH1 ARG A 68 5.826 -20.236 8.633 1.00 0.00 N ATOM 1045 NH2 ARG A 68 7.626 -19.346 7.522 1.00 0.00 N ATOM 0 H ARG A 68 1.818 -20.292 3.611 1.00 0.00 H new ATOM 0 HA ARG A 68 0.192 -20.941 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.093 -21.868 6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.512 -21.838 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.720 -19.640 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.440 -19.894 7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.712 -21.971 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.837 -21.930 5.363 1.00 0.00 H new ATOM 0 HE ARG A 68 6.569 -20.361 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.956 -20.768 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.183 -19.857 9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.143 -19.192 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.980 -18.968 8.401 1.00 0.00 H new ATOM 1059 N LEU A 69 1.781 -18.133 6.331 1.00 0.00 N ATOM 1060 CA LEU A 69 1.804 -16.975 7.218 1.00 0.00 C ATOM 1061 C LEU A 69 0.408 -16.380 7.373 1.00 0.00 C ATOM 1062 O LEU A 69 0.001 -16.002 8.472 1.00 0.00 O ATOM 1063 CB LEU A 69 2.765 -15.915 6.679 1.00 0.00 C ATOM 1064 CG LEU A 69 4.091 -16.433 6.119 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.962 -15.276 5.654 1.00 0.00 C ATOM 1066 CD2 LEU A 69 4.820 -17.266 7.163 1.00 0.00 C ATOM 0 H LEU A 69 2.390 -18.053 5.516 1.00 0.00 H new ATOM 0 HA LEU A 69 2.149 -17.305 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.255 -15.357 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.983 -15.210 7.481 1.00 0.00 H new ATOM 0 HG LEU A 69 3.878 -17.068 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.901 -15.663 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.442 -14.720 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.168 -14.615 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.761 -17.627 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.022 -16.653 8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.200 -18.116 7.448 1.00 0.00 H new ATOM 1078 N HIS A 70 -0.323 -16.301 6.265 1.00 0.00 N ATOM 1079 CA HIS A 70 -1.675 -15.755 6.279 1.00 0.00 C ATOM 1080 C HIS A 70 -2.711 -16.863 6.113 1.00 0.00 C ATOM 1081 O HIS A 70 -3.059 -17.260 5.001 1.00 0.00 O ATOM 1082 CB HIS A 70 -1.840 -14.717 5.168 1.00 0.00 C ATOM 1083 CG HIS A 70 -0.848 -13.598 5.243 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -1.177 -12.329 5.671 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.471 -13.562 4.943 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -0.103 -11.560 5.630 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.911 -12.285 5.192 1.00 0.00 N ATOM 0 H HIS A 70 -0.002 -16.608 5.347 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.835 -15.273 7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.744 -15.212 4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.847 -14.303 5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.067 -14.385 4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.061 -10.517 5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.866 -11.951 5.060 1.00 0.00 H new ATOM 1096 N PRO A 71 -3.215 -17.377 7.245 1.00 0.00 N ATOM 1097 CA PRO A 71 -4.217 -18.447 7.251 1.00 0.00 C ATOM 1098 C PRO A 71 -5.575 -17.972 6.746 1.00 0.00 C ATOM 1099 O PRO A 71 -5.916 -16.795 6.864 1.00 0.00 O ATOM 1100 CB PRO A 71 -4.305 -18.843 8.727 1.00 0.00 C ATOM 1101 CG PRO A 71 -3.875 -17.626 9.472 1.00 0.00 C ATOM 1102 CD PRO A 71 -2.846 -16.953 8.606 1.00 0.00 C ATOM 0 HA PRO A 71 -3.939 -19.269 6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.319 -19.136 8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.658 -19.692 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.720 -16.964 9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.456 -17.890 10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.879 -15.869 8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.835 -17.268 8.865 1.00 0.00 H new ATOM 1110 N GLY A 72 -6.349 -18.895 6.182 1.00 0.00 N ATOM 1111 CA GLY A 72 -7.661 -18.551 5.668 1.00 0.00 C ATOM 1112 C GLY A 72 -7.616 -18.096 4.223 1.00 0.00 C ATOM 1113 O GLY A 72 -8.655 -17.972 3.571 1.00 0.00 O ATOM 0 H GLY A 72 -6.090 -19.875 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.319 -19.415 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.092 -17.760 6.282 1.00 0.00 H new ATOM 1117 N CYS A 73 -6.413 -17.845 3.720 1.00 0.00 N ATOM 1118 CA CYS A 73 -6.237 -17.399 2.343 1.00 0.00 C ATOM 1119 C CYS A 73 -5.522 -18.461 1.514 1.00 0.00 C ATOM 1120 O CYS A 73 -5.009 -19.441 2.052 1.00 0.00 O ATOM 1121 CB CYS A 73 -5.448 -16.089 2.306 1.00 0.00 C ATOM 1122 SG CYS A 73 -6.211 -14.741 3.238 1.00 0.00 S ATOM 0 H CYS A 73 -5.544 -17.943 4.246 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.224 -17.232 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.448 -16.268 2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.330 -15.778 1.268 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.315 -13.840 3.510 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.495 -18.260 0.200 1.00 0.00 N ATOM 1129 CA GLY A 74 -4.842 -19.210 -0.683 1.00 0.00 C ATOM 1130 C GLY A 74 -4.187 -18.539 -1.874 1.00 0.00 C ATOM 1131 O GLY A 74 -4.001 -17.322 -1.903 1.00 0.00 O ATOM 0 H GLY A 74 -5.913 -17.457 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.089 -19.764 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.574 -19.936 -1.036 1.00 0.00 H new ATOM 1135 N PRO A 75 -3.824 -19.342 -2.884 1.00 0.00 N ATOM 1136 CA PRO A 75 -3.179 -18.841 -4.101 1.00 0.00 C ATOM 1137 C PRO A 75 -4.130 -18.021 -4.966 1.00 0.00 C ATOM 1138 O PRO A 75 -3.698 -17.194 -5.770 1.00 0.00 O ATOM 1139 CB PRO A 75 -2.759 -20.119 -4.832 1.00 0.00 C ATOM 1140 CG PRO A 75 -3.702 -21.163 -4.343 1.00 0.00 C ATOM 1141 CD PRO A 75 -4.015 -20.802 -2.917 1.00 0.00 C ATOM 0 HA PRO A 75 -2.350 -18.170 -3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.829 -19.998 -5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.726 -20.382 -4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.608 -21.185 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.253 -22.154 -4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.034 -21.080 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.350 -21.310 -2.219 1.00 0.00 H new ATOM 1149 N HIS A 76 -5.428 -18.255 -4.796 1.00 0.00 N ATOM 1150 CA HIS A 76 -6.441 -17.536 -5.561 1.00 0.00 C ATOM 1151 C HIS A 76 -6.956 -16.330 -4.781 1.00 0.00 C ATOM 1152 O HIS A 76 -7.903 -15.664 -5.201 1.00 0.00 O ATOM 1153 CB HIS A 76 -7.602 -18.467 -5.910 1.00 0.00 C ATOM 1154 CG HIS A 76 -7.855 -19.522 -4.877 1.00 0.00 C ATOM 1155 ND1 HIS A 76 -8.049 -19.238 -3.542 1.00 0.00 N ATOM 1156 CD2 HIS A 76 -7.947 -20.868 -4.991 1.00 0.00 C ATOM 1157 CE1 HIS A 76 -8.247 -20.363 -2.879 1.00 0.00 C ATOM 1158 NE2 HIS A 76 -8.191 -21.367 -3.735 1.00 0.00 N ATOM 0 H HIS A 76 -5.803 -18.936 -4.136 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.981 -17.180 -6.483 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.507 -17.873 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.396 -18.948 -6.866 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.847 -21.442 -5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.425 -20.447 -1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -8.310 -22.353 -3.501 1.00 0.00 H new ATOM 1167 N THR A 77 -6.328 -16.055 -3.642 1.00 0.00 N ATOM 1168 CA THR A 77 -6.724 -14.932 -2.802 1.00 0.00 C ATOM 1169 C THR A 77 -5.891 -13.693 -3.112 1.00 0.00 C ATOM 1170 O THR A 77 -4.686 -13.663 -2.860 1.00 0.00 O ATOM 1171 CB THR A 77 -6.582 -15.271 -1.306 1.00 0.00 C ATOM 1172 OG1 THR A 77 -7.467 -16.342 -0.961 1.00 0.00 O ATOM 1173 CG2 THR A 77 -6.889 -14.055 -0.445 1.00 0.00 C ATOM 0 H THR A 77 -5.542 -16.595 -3.280 1.00 0.00 H new ATOM 0 HA THR A 77 -7.772 -14.727 -3.022 1.00 0.00 H new ATOM 0 HB THR A 77 -5.552 -15.577 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.741 -16.251 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.782 -14.318 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.195 -13.251 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.910 -13.723 -0.634 1.00 0.00 H new ATOM 1181 N THR A 78 -6.541 -12.671 -3.660 1.00 0.00 N ATOM 1182 CA THR A 78 -5.860 -11.429 -4.005 1.00 0.00 C ATOM 1183 C THR A 78 -5.381 -10.700 -2.755 1.00 0.00 C ATOM 1184 O THR A 78 -6.156 -10.457 -1.830 1.00 0.00 O ATOM 1185 CB THR A 78 -6.776 -10.492 -4.814 1.00 0.00 C ATOM 1186 OG1 THR A 78 -7.374 -11.208 -5.900 1.00 0.00 O ATOM 1187 CG2 THR A 78 -5.994 -9.303 -5.353 1.00 0.00 C ATOM 0 H THR A 78 -7.538 -12.679 -3.874 1.00 0.00 H new ATOM 0 HA THR A 78 -4.999 -11.699 -4.617 1.00 0.00 H new ATOM 0 HB THR A 78 -7.557 -10.122 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.452 -10.617 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.662 -8.655 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.565 -8.743 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.194 -9.658 -6.003 1.00 0.00 H new ATOM 1195 N PHE A 79 -4.099 -10.351 -2.734 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.516 -9.648 -1.597 1.00 0.00 C ATOM 1197 C PHE A 79 -3.195 -8.201 -1.958 1.00 0.00 C ATOM 1198 O PHE A 79 -2.619 -7.926 -3.011 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.247 -10.362 -1.125 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.499 -11.744 -0.594 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.479 -11.966 0.360 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.757 -12.821 -1.050 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -3.712 -13.237 0.851 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -1.986 -14.095 -0.563 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.965 -14.303 0.388 1.00 0.00 C ATOM 0 H PHE A 79 -3.444 -10.544 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.247 -9.648 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.544 -10.423 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.771 -9.764 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.067 -11.137 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.991 -12.664 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.477 -13.397 1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.400 -14.926 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.147 -15.297 0.769 1.00 0.00 H new ATOM 1215 N ARG A 80 -3.572 -7.280 -1.078 1.00 0.00 N ATOM 1216 CA ARG A 80 -3.326 -5.861 -1.304 1.00 0.00 C ATOM 1217 C ARG A 80 -2.558 -5.249 -0.136 1.00 0.00 C ATOM 1218 O ARG A 80 -3.071 -5.164 0.980 1.00 0.00 O ATOM 1219 CB ARG A 80 -4.648 -5.118 -1.504 1.00 0.00 C ATOM 1220 CG ARG A 80 -4.489 -3.610 -1.612 1.00 0.00 C ATOM 1221 CD ARG A 80 -5.716 -2.881 -1.086 1.00 0.00 C ATOM 1222 NE ARG A 80 -5.925 -1.604 -1.762 1.00 0.00 N ATOM 1223 CZ ARG A 80 -6.617 -0.599 -1.236 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -7.162 -0.723 -0.034 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -6.763 0.533 -1.913 1.00 0.00 N ATOM 0 H ARG A 80 -4.049 -7.491 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.721 -5.762 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.131 -5.490 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.313 -5.346 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.609 -3.295 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.319 -3.335 -2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.596 -3.510 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.605 -2.710 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.518 -1.476 -2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.051 -1.591 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.693 0.050 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.344 0.632 -2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.294 1.304 -1.509 1.00 0.00 H new ATOM 1239 N TRP A 81 -1.328 -4.826 -0.401 1.00 0.00 N ATOM 1240 CA TRP A 81 -0.489 -4.223 0.629 1.00 0.00 C ATOM 1241 C TRP A 81 -0.462 -2.705 0.489 1.00 0.00 C ATOM 1242 O TRP A 81 0.257 -2.164 -0.351 1.00 0.00 O ATOM 1243 CB TRP A 81 0.933 -4.780 0.549 1.00 0.00 C ATOM 1244 CG TRP A 81 1.778 -4.425 1.734 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.371 -4.336 3.034 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.175 -4.108 1.727 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.430 -3.983 3.836 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.548 -3.839 3.058 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.147 -4.028 0.726 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 4.850 -3.494 3.411 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.438 -3.686 1.078 1.00 0.00 C ATOM 1252 CH2 TRP A 81 5.781 -3.423 2.411 1.00 0.00 C ATOM 0 H TRP A 81 -0.889 -4.889 -1.320 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.915 -4.472 1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 81 0.886 -5.865 0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.412 -4.405 -0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.364 -4.516 3.381 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.390 -3.850 4.846 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.893 -4.230 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.116 -3.290 4.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.197 -3.620 0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 81 6.800 -3.159 2.654 1.00 0.00 H new ATOM 1263 N GLN A 82 -1.248 -2.024 1.316 1.00 0.00 N ATOM 1264 CA GLN A 82 -1.313 -0.568 1.282 1.00 0.00 C ATOM 1265 C GLN A 82 -0.404 0.043 2.344 1.00 0.00 C ATOM 1266 O GLN A 82 -0.583 -0.193 3.539 1.00 0.00 O ATOM 1267 CB GLN A 82 -2.753 -0.095 1.493 1.00 0.00 C ATOM 1268 CG GLN A 82 -2.923 1.411 1.373 1.00 0.00 C ATOM 1269 CD GLN A 82 -4.287 1.883 1.836 1.00 0.00 C ATOM 1270 OE1 GLN A 82 -4.579 1.895 3.032 1.00 0.00 O ATOM 1271 NE2 GLN A 82 -5.131 2.274 0.889 1.00 0.00 N ATOM 0 H GLN A 82 -1.849 -2.457 2.018 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.969 -0.237 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.398 -0.584 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.090 -0.413 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.152 1.908 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.773 1.708 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.847 2.247 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.064 2.601 1.141 1.00 0.00 H new ATOM 1280 N VAL A 83 0.572 0.828 1.900 1.00 0.00 N ATOM 1281 CA VAL A 83 1.509 1.473 2.812 1.00 0.00 C ATOM 1282 C VAL A 83 1.273 2.978 2.868 1.00 0.00 C ATOM 1283 O VAL A 83 1.095 3.630 1.838 1.00 0.00 O ATOM 1284 CB VAL A 83 2.968 1.209 2.396 1.00 0.00 C ATOM 1285 CG1 VAL A 83 3.929 1.890 3.359 1.00 0.00 C ATOM 1286 CG2 VAL A 83 3.239 -0.286 2.328 1.00 0.00 C ATOM 0 H VAL A 83 0.735 1.033 0.914 1.00 0.00 H new ATOM 0 HA VAL A 83 1.337 1.044 3.799 1.00 0.00 H new ATOM 0 HB VAL A 83 3.127 1.630 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.955 1.692 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.749 2.965 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.772 1.501 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.275 -0.455 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.063 -0.733 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.574 -0.743 1.596 1.00 0.00 H new ATOM 1296 N LYS A 84 1.272 3.527 4.078 1.00 0.00 N ATOM 1297 CA LYS A 84 1.060 4.956 4.271 1.00 0.00 C ATOM 1298 C LYS A 84 2.389 5.688 4.426 1.00 0.00 C ATOM 1299 O LYS A 84 3.194 5.355 5.297 1.00 0.00 O ATOM 1300 CB LYS A 84 0.184 5.201 5.502 1.00 0.00 C ATOM 1301 CG LYS A 84 -0.418 6.595 5.553 1.00 0.00 C ATOM 1302 CD LYS A 84 -1.774 6.641 4.870 1.00 0.00 C ATOM 1303 CE LYS A 84 -2.893 6.258 5.826 1.00 0.00 C ATOM 1304 NZ LYS A 84 -3.116 4.786 5.859 1.00 0.00 N ATOM 0 H LYS A 84 1.416 3.003 4.941 1.00 0.00 H new ATOM 0 HA LYS A 84 0.553 5.345 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.621 4.466 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.780 5.039 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.522 6.910 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.257 7.302 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.953 7.644 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.776 5.963 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.651 6.611 6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.814 6.758 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.122 4.591 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.839 4.372 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.543 4.365 6.618 1.00 0.00 H new ATOM 1318 N LEU A 85 2.613 6.685 3.578 1.00 0.00 N ATOM 1319 CA LEU A 85 3.845 7.465 3.622 1.00 0.00 C ATOM 1320 C LEU A 85 3.608 8.821 4.281 1.00 0.00 C ATOM 1321 O LEU A 85 2.973 9.702 3.700 1.00 0.00 O ATOM 1322 CB LEU A 85 4.398 7.661 2.210 1.00 0.00 C ATOM 1323 CG LEU A 85 4.318 6.448 1.283 1.00 0.00 C ATOM 1324 CD1 LEU A 85 4.172 6.890 -0.165 1.00 0.00 C ATOM 1325 CD2 LEU A 85 5.547 5.566 1.452 1.00 0.00 C ATOM 0 H LEU A 85 1.958 6.973 2.851 1.00 0.00 H new ATOM 0 HA LEU A 85 4.573 6.915 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.861 8.486 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.442 7.964 2.289 1.00 0.00 H new ATOM 0 HG LEU A 85 3.437 5.866 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.117 6.013 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.262 7.479 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.033 7.495 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.473 4.707 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.442 6.139 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.607 5.219 2.484 1.00 0.00 H new ATOM 1337 N ARG A 86 4.123 8.981 5.495 1.00 0.00 N ATOM 1338 CA ARG A 86 3.969 10.230 6.232 1.00 0.00 C ATOM 1339 C ARG A 86 3.971 11.425 5.283 1.00 0.00 C ATOM 1340 O ARG A 86 2.964 12.115 5.136 1.00 0.00 O ATOM 1341 CB ARG A 86 5.089 10.381 7.262 1.00 0.00 C ATOM 1342 CG ARG A 86 4.800 9.685 8.582 1.00 0.00 C ATOM 1343 CD ARG A 86 3.814 10.479 9.426 1.00 0.00 C ATOM 1344 NE ARG A 86 4.476 11.521 10.206 1.00 0.00 N ATOM 1345 CZ ARG A 86 3.824 12.413 10.944 1.00 0.00 C ATOM 1346 NH1 ARG A 86 2.499 12.389 11.001 1.00 0.00 N ATOM 1347 NH2 ARG A 86 4.497 13.330 11.626 1.00 0.00 N ATOM 0 H ARG A 86 4.651 8.262 5.990 1.00 0.00 H new ATOM 0 HA ARG A 86 3.010 10.201 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.012 9.980 6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.258 11.441 7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.398 8.690 8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.730 9.551 9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.065 10.933 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.286 9.803 10.099 1.00 0.00 H new ATOM 0 HE ARG A 86 5.495 11.567 10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.979 11.685 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.000 13.075 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.516 13.351 11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.996 14.014 12.192 1.00 0.00 H new ATOM 1361 N ASN A 87 5.111 11.663 4.642 1.00 0.00 N ATOM 1362 CA ASN A 87 5.245 12.775 3.709 1.00 0.00 C ATOM 1363 C ASN A 87 4.697 12.401 2.335 1.00 0.00 C ATOM 1364 O ASN A 87 4.239 11.278 2.122 1.00 0.00 O ATOM 1365 CB ASN A 87 6.712 13.192 3.588 1.00 0.00 C ATOM 1366 CG ASN A 87 7.109 14.219 4.630 1.00 0.00 C ATOM 1367 OD1 ASN A 87 6.256 14.874 5.229 1.00 0.00 O ATOM 1368 ND2 ASN A 87 8.410 14.365 4.852 1.00 0.00 N ATOM 0 H ASN A 87 5.955 11.101 4.752 1.00 0.00 H new ATOM 0 HA ASN A 87 4.666 13.613 4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.347 12.312 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.890 13.600 2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.737 15.041 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.082 13.801 4.332 1.00 0.00 H new ATOM 1375 N LEU A 88 4.746 13.350 1.406 1.00 0.00 N ATOM 1376 CA LEU A 88 4.255 13.121 0.052 1.00 0.00 C ATOM 1377 C LEU A 88 5.353 12.544 -0.836 1.00 0.00 C ATOM 1378 O LEU A 88 6.541 12.693 -0.547 1.00 0.00 O ATOM 1379 CB LEU A 88 3.731 14.427 -0.549 1.00 0.00 C ATOM 1380 CG LEU A 88 2.272 14.768 -0.244 1.00 0.00 C ATOM 1381 CD1 LEU A 88 1.885 16.087 -0.895 1.00 0.00 C ATOM 1382 CD2 LEU A 88 1.353 13.650 -0.713 1.00 0.00 C ATOM 0 H LEU A 88 5.121 14.285 1.566 1.00 0.00 H new ATOM 0 HA LEU A 88 3.440 12.399 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.357 15.245 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.854 14.381 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 88 2.162 14.873 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.843 16.313 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.522 16.883 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.012 16.011 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.319 13.910 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.466 13.513 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.614 12.725 -0.200 1.00 0.00 H new ATOM 1394 N ILE A 89 4.948 11.887 -1.917 1.00 0.00 N ATOM 1395 CA ILE A 89 5.898 11.291 -2.849 1.00 0.00 C ATOM 1396 C ILE A 89 5.474 11.529 -4.294 1.00 0.00 C ATOM 1397 O ILE A 89 4.469 12.189 -4.555 1.00 0.00 O ATOM 1398 CB ILE A 89 6.044 9.776 -2.611 1.00 0.00 C ATOM 1399 CG1 ILE A 89 4.696 9.077 -2.797 1.00 0.00 C ATOM 1400 CG2 ILE A 89 6.598 9.509 -1.220 1.00 0.00 C ATOM 1401 CD1 ILE A 89 4.819 7.645 -3.270 1.00 0.00 C ATOM 0 H ILE A 89 3.969 11.754 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 89 6.859 11.773 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 89 6.745 9.374 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.154 9.094 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.100 9.639 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.695 8.434 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.576 9.980 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.920 9.922 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.825 7.212 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.333 7.622 -4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.387 7.068 -2.540 1.00 0.00 H new ATOM 1413 N GLU A 90 6.247 10.985 -5.229 1.00 0.00 N ATOM 1414 CA GLU A 90 5.950 11.138 -6.648 1.00 0.00 C ATOM 1415 C GLU A 90 5.746 9.779 -7.311 1.00 0.00 C ATOM 1416 O GLU A 90 6.691 9.134 -7.766 1.00 0.00 O ATOM 1417 CB GLU A 90 7.079 11.895 -7.350 1.00 0.00 C ATOM 1418 CG GLU A 90 6.943 13.406 -7.266 1.00 0.00 C ATOM 1419 CD GLU A 90 7.587 13.983 -6.021 1.00 0.00 C ATOM 1420 OE1 GLU A 90 7.668 13.258 -5.006 1.00 0.00 O ATOM 1421 OE2 GLU A 90 8.008 15.157 -6.059 1.00 0.00 O ATOM 0 H GLU A 90 7.083 10.435 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 90 5.027 11.710 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.032 11.599 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.106 11.599 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.398 13.857 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.886 13.673 -7.281 1.00 0.00 H new ATOM 1428 N PRO A 91 4.483 9.332 -7.367 1.00 0.00 N ATOM 1429 CA PRO A 91 4.124 8.045 -7.972 1.00 0.00 C ATOM 1430 C PRO A 91 4.293 8.050 -9.487 1.00 0.00 C ATOM 1431 O PRO A 91 4.278 6.998 -10.125 1.00 0.00 O ATOM 1432 CB PRO A 91 2.649 7.877 -7.599 1.00 0.00 C ATOM 1433 CG PRO A 91 2.148 9.266 -7.399 1.00 0.00 C ATOM 1434 CD PRO A 91 3.307 10.048 -6.845 1.00 0.00 C ATOM 0 HA PRO A 91 4.762 7.236 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 91 2.097 7.367 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.535 7.281 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.801 9.695 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.303 9.281 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.288 11.086 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.297 10.063 -5.755 1.00 0.00 H new ATOM 1442 N GLU A 92 4.454 9.240 -10.057 1.00 0.00 N ATOM 1443 CA GLU A 92 4.626 9.380 -11.498 1.00 0.00 C ATOM 1444 C GLU A 92 5.988 8.850 -11.938 1.00 0.00 C ATOM 1445 O GLU A 92 6.195 8.541 -13.110 1.00 0.00 O ATOM 1446 CB GLU A 92 4.479 10.846 -11.912 1.00 0.00 C ATOM 1447 CG GLU A 92 3.042 11.339 -11.904 1.00 0.00 C ATOM 1448 CD GLU A 92 2.925 12.801 -12.292 1.00 0.00 C ATOM 1449 OE1 GLU A 92 3.037 13.104 -13.498 1.00 0.00 O ATOM 1450 OE2 GLU A 92 2.722 13.640 -11.390 1.00 0.00 O ATOM 0 H GLU A 92 4.469 10.121 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 92 3.851 8.792 -11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.071 11.466 -11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.893 10.976 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.451 10.736 -12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.618 11.196 -10.910 1.00 0.00 H new ATOM 1457 N GLN A 93 6.912 8.749 -10.988 1.00 0.00 N ATOM 1458 CA GLN A 93 8.254 8.259 -11.277 1.00 0.00 C ATOM 1459 C GLN A 93 8.485 6.895 -10.634 1.00 0.00 C ATOM 1460 O GLN A 93 9.462 6.211 -10.941 1.00 0.00 O ATOM 1461 CB GLN A 93 9.303 9.255 -10.780 1.00 0.00 C ATOM 1462 CG GLN A 93 8.936 10.706 -11.043 1.00 0.00 C ATOM 1463 CD GLN A 93 10.152 11.592 -11.226 1.00 0.00 C ATOM 1464 OE1 GLN A 93 11.050 11.279 -12.009 1.00 0.00 O ATOM 1465 NE2 GLN A 93 10.189 12.705 -10.503 1.00 0.00 N ATOM 0 H GLN A 93 6.756 9.000 -10.012 1.00 0.00 H new ATOM 0 HA GLN A 93 8.349 8.152 -12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.447 9.114 -9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.256 9.037 -11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.312 10.763 -11.935 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.339 11.082 -10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.423 12.925 -9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.983 13.340 -10.584 1.00 0.00 H new ATOM 1474 N CYS A 94 7.582 6.507 -9.741 1.00 0.00 N ATOM 1475 CA CYS A 94 7.688 5.225 -9.053 1.00 0.00 C ATOM 1476 C CYS A 94 7.667 4.070 -10.049 1.00 0.00 C ATOM 1477 O CYS A 94 7.262 4.236 -11.200 1.00 0.00 O ATOM 1478 CB CYS A 94 6.548 5.067 -8.046 1.00 0.00 C ATOM 1479 SG CYS A 94 6.765 6.026 -6.528 1.00 0.00 S ATOM 0 H CYS A 94 6.768 7.062 -9.476 1.00 0.00 H new ATOM 0 HA CYS A 94 8.639 5.204 -8.520 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.614 5.366 -8.521 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.451 4.013 -7.786 1.00 0.00 H new ATOM 0 HG CYS A 94 6.701 7.295 -6.803 1.00 0.00 H new ATOM 1485 N THR A 95 8.108 2.899 -9.599 1.00 0.00 N ATOM 1486 CA THR A 95 8.142 1.717 -10.450 1.00 0.00 C ATOM 1487 C THR A 95 7.964 0.444 -9.631 1.00 0.00 C ATOM 1488 O THR A 95 8.428 0.355 -8.494 1.00 0.00 O ATOM 1489 CB THR A 95 9.465 1.629 -11.235 1.00 0.00 C ATOM 1490 OG1 THR A 95 10.573 1.613 -10.327 1.00 0.00 O ATOM 1491 CG2 THR A 95 9.605 2.801 -12.194 1.00 0.00 C ATOM 0 H THR A 95 8.447 2.745 -8.649 1.00 0.00 H new ATOM 0 HA THR A 95 7.315 1.810 -11.154 1.00 0.00 H new ATOM 0 HB THR A 95 9.457 0.706 -11.815 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.410 1.555 -10.833 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.547 2.717 -12.737 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.776 2.793 -12.902 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.593 3.735 -11.632 1.00 0.00 H new ATOM 1499 N PHE A 96 7.290 -0.540 -10.216 1.00 0.00 N ATOM 1500 CA PHE A 96 7.050 -1.810 -9.540 1.00 0.00 C ATOM 1501 C PHE A 96 7.364 -2.985 -10.461 1.00 0.00 C ATOM 1502 O PHE A 96 6.766 -3.127 -11.529 1.00 0.00 O ATOM 1503 CB PHE A 96 5.597 -1.893 -9.065 1.00 0.00 C ATOM 1504 CG PHE A 96 4.641 -2.329 -10.138 1.00 0.00 C ATOM 1505 CD1 PHE A 96 4.482 -3.673 -10.438 1.00 0.00 C ATOM 1506 CD2 PHE A 96 3.901 -1.396 -10.846 1.00 0.00 C ATOM 1507 CE1 PHE A 96 3.602 -4.078 -11.424 1.00 0.00 C ATOM 1508 CE2 PHE A 96 3.019 -1.795 -11.833 1.00 0.00 C ATOM 1509 CZ PHE A 96 2.870 -3.138 -12.123 1.00 0.00 C ATOM 0 H PHE A 96 6.900 -0.483 -11.157 1.00 0.00 H new ATOM 0 HA PHE A 96 7.711 -1.863 -8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.535 -2.590 -8.229 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.289 -0.917 -8.690 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.052 -4.412 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.014 -0.345 -10.624 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.487 -5.128 -11.648 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.447 -1.058 -12.377 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.183 -3.452 -12.895 1.00 0.00 H new ATOM 1519 N CYS A 97 8.305 -3.823 -10.041 1.00 0.00 N ATOM 1520 CA CYS A 97 8.700 -4.986 -10.828 1.00 0.00 C ATOM 1521 C CYS A 97 9.139 -6.132 -9.923 1.00 0.00 C ATOM 1522 O CYS A 97 9.926 -5.938 -8.995 1.00 0.00 O ATOM 1523 CB CYS A 97 9.831 -4.616 -11.789 1.00 0.00 C ATOM 1524 SG CYS A 97 9.426 -3.268 -12.923 1.00 0.00 S ATOM 0 H CYS A 97 8.809 -3.719 -9.160 1.00 0.00 H new ATOM 0 HA CYS A 97 7.835 -5.315 -11.405 1.00 0.00 H new ATOM 0 HB2 CYS A 97 10.710 -4.336 -11.208 1.00 0.00 H new ATOM 0 HB3 CYS A 97 10.101 -5.497 -12.371 1.00 0.00 H new ATOM 0 HG CYS A 97 8.211 -2.864 -12.700 1.00 0.00 H new ATOM 1530 N PHE A 98 8.625 -7.326 -10.197 1.00 0.00 N ATOM 1531 CA PHE A 98 8.962 -8.503 -9.405 1.00 0.00 C ATOM 1532 C PHE A 98 10.372 -8.990 -9.727 1.00 0.00 C ATOM 1533 O PHE A 98 10.909 -8.709 -10.800 1.00 0.00 O ATOM 1534 CB PHE A 98 7.953 -9.624 -9.664 1.00 0.00 C ATOM 1535 CG PHE A 98 6.522 -9.172 -9.584 1.00 0.00 C ATOM 1536 CD1 PHE A 98 5.919 -8.546 -10.662 1.00 0.00 C ATOM 1537 CD2 PHE A 98 5.782 -9.374 -8.430 1.00 0.00 C ATOM 1538 CE1 PHE A 98 4.602 -8.129 -10.592 1.00 0.00 C ATOM 1539 CE2 PHE A 98 4.465 -8.960 -8.355 1.00 0.00 C ATOM 1540 CZ PHE A 98 3.875 -8.336 -9.436 1.00 0.00 C ATOM 0 H PHE A 98 7.974 -7.504 -10.961 1.00 0.00 H new ATOM 0 HA PHE A 98 8.924 -8.224 -8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.137 -10.047 -10.651 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.115 -10.422 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.484 -8.381 -11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.239 -9.860 -7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.143 -7.642 -11.440 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.898 -9.125 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.847 -8.010 -9.378 1.00 0.00 H new ATOM 1550 N THR A 99 10.968 -9.720 -8.790 1.00 0.00 N ATOM 1551 CA THR A 99 12.316 -10.245 -8.972 1.00 0.00 C ATOM 1552 C THR A 99 12.356 -11.751 -8.740 1.00 0.00 C ATOM 1553 O THR A 99 11.316 -12.394 -8.597 1.00 0.00 O ATOM 1554 CB THR A 99 13.317 -9.563 -8.019 1.00 0.00 C ATOM 1555 OG1 THR A 99 13.494 -10.360 -6.843 1.00 0.00 O ATOM 1556 CG2 THR A 99 12.833 -8.175 -7.629 1.00 0.00 C ATOM 0 H THR A 99 10.539 -9.961 -7.897 1.00 0.00 H new ATOM 0 HA THR A 99 12.602 -10.032 -10.002 1.00 0.00 H new ATOM 0 HB THR A 99 14.270 -9.465 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.635 -10.456 -6.381 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.556 -7.713 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.727 -7.562 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.869 -8.254 -7.127 1.00 0.00 H new ATOM 1564 N ALA A 100 13.562 -12.307 -8.702 1.00 0.00 N ATOM 1565 CA ALA A 100 13.737 -13.738 -8.484 1.00 0.00 C ATOM 1566 C ALA A 100 12.736 -14.264 -7.461 1.00 0.00 C ATOM 1567 O ALA A 100 11.742 -14.896 -7.818 1.00 0.00 O ATOM 1568 CB ALA A 100 15.160 -14.033 -8.034 1.00 0.00 C ATOM 0 H ALA A 100 14.433 -11.789 -8.819 1.00 0.00 H new ATOM 0 HA ALA A 100 13.553 -14.250 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.276 -15.105 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.860 -13.702 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.364 -13.504 -7.103 1.00 0.00 H new ATOM 1574 N SER A 101 13.006 -13.999 -6.186 1.00 0.00 N ATOM 1575 CA SER A 101 12.131 -14.450 -5.110 1.00 0.00 C ATOM 1576 C SER A 101 11.685 -13.275 -4.245 1.00 0.00 C ATOM 1577 O SER A 101 11.309 -13.452 -3.086 1.00 0.00 O ATOM 1578 CB SER A 101 12.845 -15.492 -4.247 1.00 0.00 C ATOM 1579 OG SER A 101 14.143 -15.053 -3.887 1.00 0.00 O ATOM 0 H SER A 101 13.823 -13.475 -5.874 1.00 0.00 H new ATOM 0 HA SER A 101 11.248 -14.904 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.261 -15.686 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.914 -16.434 -4.791 1.00 0.00 H new ATOM 0 HG SER A 101 14.578 -15.736 -3.334 1.00 0.00 H new ATOM 1585 N ARG A 102 11.729 -12.077 -4.817 1.00 0.00 N ATOM 1586 CA ARG A 102 11.331 -10.872 -4.098 1.00 0.00 C ATOM 1587 C ARG A 102 10.775 -9.825 -5.059 1.00 0.00 C ATOM 1588 O ARG A 102 10.965 -9.918 -6.272 1.00 0.00 O ATOM 1589 CB ARG A 102 12.521 -10.294 -3.330 1.00 0.00 C ATOM 1590 CG ARG A 102 13.465 -9.475 -4.195 1.00 0.00 C ATOM 1591 CD ARG A 102 14.286 -8.505 -3.360 1.00 0.00 C ATOM 1592 NE ARG A 102 15.248 -7.763 -4.171 1.00 0.00 N ATOM 1593 CZ ARG A 102 14.933 -6.687 -4.883 1.00 0.00 C ATOM 1594 NH1 ARG A 102 13.689 -6.229 -4.884 1.00 0.00 N ATOM 1595 NH2 ARG A 102 15.864 -6.066 -5.596 1.00 0.00 N ATOM 0 H ARG A 102 12.036 -11.914 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 102 10.548 -11.143 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.149 -9.668 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 102 13.078 -11.111 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.132 -10.143 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 102 12.891 -8.921 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.619 -7.805 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.816 -9.055 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 102 16.214 -8.089 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.971 -6.703 -4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.450 -5.402 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.822 -6.415 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.621 -5.240 -6.143 1.00 0.00 H new ATOM 1609 N ILE A 103 10.088 -8.830 -4.508 1.00 0.00 N ATOM 1610 CA ILE A 103 9.505 -7.766 -5.316 1.00 0.00 C ATOM 1611 C ILE A 103 10.271 -6.460 -5.139 1.00 0.00 C ATOM 1612 O ILE A 103 10.635 -6.087 -4.024 1.00 0.00 O ATOM 1613 CB ILE A 103 8.025 -7.533 -4.957 1.00 0.00 C ATOM 1614 CG1 ILE A 103 7.294 -8.870 -4.820 1.00 0.00 C ATOM 1615 CG2 ILE A 103 7.356 -6.663 -6.010 1.00 0.00 C ATOM 1616 CD1 ILE A 103 6.015 -8.780 -4.017 1.00 0.00 C ATOM 0 H ILE A 103 9.922 -8.738 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 103 9.572 -8.086 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 103 7.976 -7.014 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.063 -9.252 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.960 -9.592 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.311 -6.507 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.864 -5.700 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.413 -7.157 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.550 -9.764 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.241 -8.428 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.330 -8.083 -4.500 1.00 0.00 H new ATOM 1628 N ASP A 104 10.511 -5.767 -6.247 1.00 0.00 N ATOM 1629 CA ASP A 104 11.231 -4.499 -6.215 1.00 0.00 C ATOM 1630 C ASP A 104 10.289 -3.332 -6.491 1.00 0.00 C ATOM 1631 O ASP A 104 9.544 -3.341 -7.472 1.00 0.00 O ATOM 1632 CB ASP A 104 12.367 -4.508 -7.240 1.00 0.00 C ATOM 1633 CG ASP A 104 13.423 -3.462 -6.942 1.00 0.00 C ATOM 1634 OD1 ASP A 104 13.175 -2.271 -7.222 1.00 0.00 O ATOM 1635 OD2 ASP A 104 14.498 -3.835 -6.427 1.00 0.00 O ATOM 0 H ASP A 104 10.218 -6.062 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 104 11.653 -4.373 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.831 -5.494 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.957 -4.333 -8.235 1.00 0.00 H new ATOM 1640 N ILE A 105 10.328 -2.328 -5.621 1.00 0.00 N ATOM 1641 CA ILE A 105 9.478 -1.154 -5.772 1.00 0.00 C ATOM 1642 C ILE A 105 10.255 0.127 -5.489 1.00 0.00 C ATOM 1643 O ILE A 105 10.647 0.389 -4.351 1.00 0.00 O ATOM 1644 CB ILE A 105 8.257 -1.219 -4.834 1.00 0.00 C ATOM 1645 CG1 ILE A 105 7.418 -2.461 -5.139 1.00 0.00 C ATOM 1646 CG2 ILE A 105 7.417 0.042 -4.972 1.00 0.00 C ATOM 1647 CD1 ILE A 105 6.684 -3.005 -3.934 1.00 0.00 C ATOM 0 H ILE A 105 10.939 -2.304 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 105 9.132 -1.145 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 105 8.610 -1.287 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.694 -2.218 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.068 -3.239 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.558 -0.018 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.020 0.911 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.070 0.137 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.110 -3.885 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.404 -3.280 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.008 -2.243 -3.545 1.00 0.00 H new ATOM 1659 N CYS A 106 10.472 0.923 -6.530 1.00 0.00 N ATOM 1660 CA CYS A 106 11.201 2.179 -6.393 1.00 0.00 C ATOM 1661 C CYS A 106 10.254 3.322 -6.045 1.00 0.00 C ATOM 1662 O CYS A 106 9.360 3.661 -6.822 1.00 0.00 O ATOM 1663 CB CYS A 106 11.954 2.498 -7.686 1.00 0.00 C ATOM 1664 SG CYS A 106 13.322 3.662 -7.475 1.00 0.00 S ATOM 0 H CYS A 106 10.154 0.721 -7.478 1.00 0.00 H new ATOM 0 HA CYS A 106 11.919 2.068 -5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 106 12.342 1.570 -8.106 1.00 0.00 H new ATOM 0 HB3 CYS A 106 11.251 2.907 -8.412 1.00 0.00 H new ATOM 0 HG CYS A 106 13.898 3.867 -8.622 1.00 0.00 H new ATOM 1670 N LEU A 107 10.456 3.914 -4.873 1.00 0.00 N ATOM 1671 CA LEU A 107 9.619 5.020 -4.420 1.00 0.00 C ATOM 1672 C LEU A 107 10.391 6.335 -4.451 1.00 0.00 C ATOM 1673 O LEU A 107 11.389 6.496 -3.749 1.00 0.00 O ATOM 1674 CB LEU A 107 9.104 4.750 -3.005 1.00 0.00 C ATOM 1675 CG LEU A 107 8.073 3.629 -2.869 1.00 0.00 C ATOM 1676 CD1 LEU A 107 8.156 2.993 -1.490 1.00 0.00 C ATOM 1677 CD2 LEU A 107 6.671 4.159 -3.131 1.00 0.00 C ATOM 0 H LEU A 107 11.192 3.647 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 107 8.770 5.103 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.956 4.512 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.665 5.669 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 107 8.295 2.864 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.415 2.197 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.152 2.577 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.960 3.748 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.950 3.347 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.438 4.943 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.619 4.567 -4.141 1.00 0.00 H new ATOM 1689 N ARG A 108 9.920 7.273 -5.266 1.00 0.00 N ATOM 1690 CA ARG A 108 10.565 8.575 -5.386 1.00 0.00 C ATOM 1691 C ARG A 108 9.981 9.566 -4.384 1.00 0.00 C ATOM 1692 O ARG A 108 8.764 9.723 -4.286 1.00 0.00 O ATOM 1693 CB ARG A 108 10.406 9.117 -6.808 1.00 0.00 C ATOM 1694 CG ARG A 108 11.063 10.471 -7.021 1.00 0.00 C ATOM 1695 CD ARG A 108 12.580 10.365 -6.988 1.00 0.00 C ATOM 1696 NE ARG A 108 13.117 9.814 -8.230 1.00 0.00 N ATOM 1697 CZ ARG A 108 13.069 10.448 -9.396 1.00 0.00 C ATOM 1698 NH1 ARG A 108 12.511 11.648 -9.480 1.00 0.00 N ATOM 1699 NH2 ARG A 108 13.579 9.881 -10.482 1.00 0.00 N ATOM 0 H ARG A 108 9.094 7.156 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 108 11.626 8.448 -5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.833 8.401 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.344 9.197 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.747 10.884 -7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.729 11.164 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.009 11.352 -6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.881 9.735 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 108 13.553 8.892 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.117 12.087 -8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.476 12.132 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.008 8.958 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.542 10.368 -11.377 1.00 0.00 H new ATOM 1713 N LYS A 109 10.858 10.233 -3.641 1.00 0.00 N ATOM 1714 CA LYS A 109 10.431 11.210 -2.646 1.00 0.00 C ATOM 1715 C LYS A 109 10.242 12.584 -3.279 1.00 0.00 C ATOM 1716 O LYS A 109 10.688 12.828 -4.401 1.00 0.00 O ATOM 1717 CB LYS A 109 11.456 11.296 -1.513 1.00 0.00 C ATOM 1718 CG LYS A 109 11.634 9.992 -0.753 1.00 0.00 C ATOM 1719 CD LYS A 109 12.095 10.236 0.674 1.00 0.00 C ATOM 1720 CE LYS A 109 13.597 10.466 0.742 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.362 9.206 0.529 1.00 0.00 N ATOM 0 H LYS A 109 11.869 10.115 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 109 9.475 10.882 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.418 11.600 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 109 11.149 12.075 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.692 9.444 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 109 12.362 9.366 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.574 11.102 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.828 9.381 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.887 11.198 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.856 10.888 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.352 9.349 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.944 8.445 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.325 8.943 -0.477 1.00 0.00 H new