USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 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 79 TYR OH : rot 16:sc= 1.26 USER MOD Set 1.2: B 118 HIS : no HD1:sc= -0.764 K(o=0.5,f=-2.6!) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.77 K(o=0.69,f=-9.4!) USER MOD Set 2.2: A 38 HIS : no HE2:sc= -1.08 K(o=0.69,f=-2.6) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 15:sc= -1.95! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 119:sc= 0.04! USER MOD Single : A 24 MET CE :methyl 168:sc= 0 (180deg=-0.258) USER MOD Single : A 25 SER OG : rot 140:sc= 1.19 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.887 K(o=0.89,f=-7.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -2.53! C(o=-2.5!,f=-2.9!) USER MOD Single : A 42 TYR OH : rot 168:sc= 2.24 USER MOD Single : A 45 SER OG : rot 180:sc= -0.088 USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0.962) USER MOD Single : A 49 ASN : amide:sc= -0.125! X(o=-0.12!,f=-0.14) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 2.5 (180deg=1.91) USER MOD Single : A 51 ASN : amide:sc= 0.616 K(o=0.62,f=-1.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.0725 K(o=0.072,f=-3.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.968 K(o=0.97,f=-8.9!) USER MOD Single : A 70 THR OG1 : rot 121:sc= 0.302 USER MOD Single : A 71 THR OG1 : rot 150:sc= -0.0942 USER MOD Single : A 74 ASN : amide:sc=-0.00604 X(o=-0.006,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00924) USER MOD Single : B 111 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 114 LYS NZ :NH3+ 173:sc= 1.41 (180deg=1.34) USER MOD Single : B 115 ASN : amide:sc= -0.24 K(o=-0.24,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.718 9.421 3.401 1.00 0.00 N ATOM 180 CA GLY A 13 -4.594 8.711 2.142 1.00 0.00 C ATOM 181 C GLY A 13 -5.223 7.340 2.189 1.00 0.00 C ATOM 182 O GLY A 13 -5.305 6.653 1.179 1.00 0.00 O ATOM 0 HA2 GLY A 13 -5.063 9.296 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.539 8.615 1.885 1.00 0.00 H new ATOM 186 N GLU A 14 -5.638 6.938 3.373 1.00 0.00 N ATOM 187 CA GLU A 14 -6.350 5.680 3.579 1.00 0.00 C ATOM 188 C GLU A 14 -7.618 5.667 2.737 1.00 0.00 C ATOM 189 O GLU A 14 -7.983 4.674 2.135 1.00 0.00 O ATOM 190 CB GLU A 14 -6.784 5.533 5.038 1.00 0.00 C ATOM 191 CG GLU A 14 -5.668 5.536 6.042 1.00 0.00 C ATOM 192 CD GLU A 14 -6.176 5.422 7.439 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.423 6.466 8.061 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.300 4.297 7.965 1.00 0.00 O ATOM 0 H GLU A 14 -5.493 7.474 4.229 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.676 4.870 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.470 6.345 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.342 4.602 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.990 4.708 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.090 6.455 5.940 1.00 0.00 H new ATOM 201 N ASN A 15 -8.254 6.818 2.686 1.00 0.00 N ATOM 202 CA ASN A 15 -9.532 6.987 2.028 1.00 0.00 C ATOM 203 C ASN A 15 -9.367 7.424 0.581 1.00 0.00 C ATOM 204 O ASN A 15 -10.313 7.940 -0.031 1.00 0.00 O ATOM 205 CB ASN A 15 -10.392 7.999 2.798 1.00 0.00 C ATOM 206 CG ASN A 15 -10.876 7.487 4.148 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.932 6.870 4.257 1.00 0.00 O ATOM 208 ND2 ASN A 15 -10.134 7.742 5.181 1.00 0.00 N ATOM 0 H ASN A 15 -7.893 7.674 3.106 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.035 6.020 2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.815 8.911 2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.256 8.266 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.424 7.428 6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.260 8.256 5.067 1.00 0.00 H new ATOM 215 N TYR A 16 -8.173 7.219 0.037 1.00 0.00 N ATOM 216 CA TYR A 16 -7.870 7.564 -1.347 1.00 0.00 C ATOM 217 C TYR A 16 -8.762 6.757 -2.280 1.00 0.00 C ATOM 218 O TYR A 16 -8.853 5.533 -2.163 1.00 0.00 O ATOM 219 CB TYR A 16 -6.389 7.270 -1.648 1.00 0.00 C ATOM 220 CG TYR A 16 -5.915 7.652 -3.041 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.733 8.966 -3.380 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.627 6.691 -3.995 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.290 9.333 -4.628 1.00 0.00 C ATOM 224 CE2 TYR A 16 -5.174 7.043 -5.251 1.00 0.00 C ATOM 225 CZ TYR A 16 -5.011 8.377 -5.556 1.00 0.00 C ATOM 226 OH TYR A 16 -4.586 8.760 -6.804 1.00 0.00 O ATOM 0 H TYR A 16 -7.388 6.809 0.543 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.057 8.626 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.776 7.798 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.211 6.204 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.943 9.733 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.759 5.647 -3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.163 10.377 -4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.950 6.283 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.314 9.701 -6.782 1.00 0.00 H new ATOM 236 N ASP A 17 -9.449 7.436 -3.158 1.00 0.00 N ATOM 237 CA ASP A 17 -10.317 6.778 -4.133 1.00 0.00 C ATOM 238 C ASP A 17 -9.899 7.144 -5.542 1.00 0.00 C ATOM 239 O ASP A 17 -10.518 6.715 -6.518 1.00 0.00 O ATOM 240 CB ASP A 17 -11.805 7.125 -3.905 1.00 0.00 C ATOM 241 CG ASP A 17 -12.177 8.569 -4.215 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.760 9.484 -3.476 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.936 8.808 -5.184 1.00 0.00 O ATOM 0 H ASP A 17 -9.433 8.453 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.207 5.702 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.416 6.466 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.058 6.914 -2.866 1.00 0.00 H new ATOM 248 N GLY A 18 -8.845 7.931 -5.637 1.00 0.00 N ATOM 249 CA GLY A 18 -8.319 8.353 -6.911 1.00 0.00 C ATOM 250 C GLY A 18 -7.688 7.209 -7.688 1.00 0.00 C ATOM 251 O GLY A 18 -7.419 6.136 -7.143 1.00 0.00 O ATOM 0 H GLY A 18 -8.333 8.293 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.121 8.792 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.575 9.134 -6.753 1.00 0.00 H new ATOM 255 N LYS A 19 -7.411 7.444 -8.933 1.00 0.00 N ATOM 256 CA LYS A 19 -6.913 6.421 -9.806 1.00 0.00 C ATOM 257 C LYS A 19 -5.406 6.524 -10.068 1.00 0.00 C ATOM 258 O LYS A 19 -4.971 6.775 -11.202 1.00 0.00 O ATOM 259 CB LYS A 19 -7.691 6.457 -11.106 1.00 0.00 C ATOM 260 CG LYS A 19 -9.187 6.342 -10.893 1.00 0.00 C ATOM 261 CD LYS A 19 -9.956 6.358 -12.198 1.00 0.00 C ATOM 262 CE LYS A 19 -9.784 7.676 -12.924 1.00 0.00 C ATOM 263 NZ LYS A 19 -10.593 7.741 -14.147 1.00 0.00 N ATOM 0 H LYS A 19 -7.524 8.355 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.059 5.463 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.473 7.387 -11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.356 5.643 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.405 5.419 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.527 7.165 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.613 5.543 -12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.014 6.185 -12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.064 8.494 -12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.733 7.816 -13.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.445 8.659 -14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.309 6.976 -14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.599 7.634 -13.904 1.00 0.00 H new ATOM 277 N ILE A 20 -4.618 6.378 -9.023 1.00 0.00 N ATOM 278 CA ILE A 20 -3.178 6.308 -9.167 1.00 0.00 C ATOM 279 C ILE A 20 -2.721 4.897 -9.034 1.00 0.00 C ATOM 280 O ILE A 20 -3.045 4.213 -8.066 1.00 0.00 O ATOM 281 CB ILE A 20 -2.382 7.301 -8.253 1.00 0.00 C ATOM 282 CG1 ILE A 20 -2.085 8.559 -9.047 1.00 0.00 C ATOM 283 CG2 ILE A 20 -1.084 6.699 -7.702 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.523 9.707 -8.230 1.00 0.00 C ATOM 0 H ILE A 20 -4.951 6.305 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.945 6.654 -10.174 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.002 7.530 -7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.377 8.314 -9.839 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.003 8.891 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.578 7.435 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.316 5.816 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.433 6.418 -8.530 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.342 10.562 -8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.237 9.986 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.586 9.399 -7.766 1.00 0.00 H new ATOM 296 N SER A 21 -2.013 4.468 -10.004 1.00 0.00 N ATOM 297 CA SER A 21 -1.541 3.120 -10.074 1.00 0.00 C ATOM 298 C SER A 21 -0.030 3.076 -10.229 1.00 0.00 C ATOM 299 O SER A 21 0.544 2.024 -10.514 1.00 0.00 O ATOM 300 CB SER A 21 -2.239 2.423 -11.234 1.00 0.00 C ATOM 301 OG SER A 21 -2.196 3.229 -12.408 1.00 0.00 O ATOM 0 H SER A 21 -1.732 5.047 -10.795 1.00 0.00 H new ATOM 0 HA SER A 21 -1.776 2.600 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.760 1.463 -11.429 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.275 2.214 -10.968 1.00 0.00 H new ATOM 0 HG SER A 21 -2.648 2.763 -13.142 1.00 0.00 H new ATOM 307 N LYS A 22 0.607 4.213 -10.055 1.00 0.00 N ATOM 308 CA LYS A 22 2.042 4.284 -10.157 1.00 0.00 C ATOM 309 C LYS A 22 2.654 4.736 -8.850 1.00 0.00 C ATOM 310 O LYS A 22 2.005 5.426 -8.062 1.00 0.00 O ATOM 311 CB LYS A 22 2.479 5.159 -11.334 1.00 0.00 C ATOM 312 CG LYS A 22 2.024 4.603 -12.675 1.00 0.00 C ATOM 313 CD LYS A 22 2.520 5.423 -13.839 1.00 0.00 C ATOM 314 CE LYS A 22 2.026 4.831 -15.147 1.00 0.00 C ATOM 315 NZ LYS A 22 2.503 5.578 -16.320 1.00 0.00 N ATOM 0 H LYS A 22 0.151 5.100 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 22 2.416 3.280 -10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.075 6.163 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.565 5.249 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.380 3.578 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.935 4.566 -12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.172 6.452 -13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.610 5.453 -13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.357 3.795 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.936 4.818 -15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.138 5.134 -17.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.166 6.560 -16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.543 5.569 -16.338 1.00 0.00 H new ATOM 329 N THR A 23 3.882 4.333 -8.607 1.00 0.00 N ATOM 330 CA THR A 23 4.547 4.628 -7.365 1.00 0.00 C ATOM 331 C THR A 23 5.391 5.903 -7.521 1.00 0.00 C ATOM 332 O THR A 23 5.284 6.595 -8.533 1.00 0.00 O ATOM 333 CB THR A 23 5.430 3.422 -6.974 1.00 0.00 C ATOM 334 OG1 THR A 23 6.354 3.173 -8.031 1.00 0.00 O ATOM 335 CG2 THR A 23 4.571 2.176 -6.757 1.00 0.00 C ATOM 0 H THR A 23 4.443 3.793 -9.266 1.00 0.00 H new ATOM 0 HA THR A 23 3.816 4.801 -6.575 1.00 0.00 H new ATOM 0 HB THR A 23 5.957 3.649 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.269 3.269 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.210 1.337 -6.482 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.854 2.363 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.036 1.939 -7.676 1.00 0.00 H new ATOM 343 N MET A 24 6.230 6.207 -6.544 1.00 0.00 N ATOM 344 CA MET A 24 7.065 7.392 -6.568 1.00 0.00 C ATOM 345 C MET A 24 8.106 7.354 -7.692 1.00 0.00 C ATOM 346 O MET A 24 8.516 8.395 -8.186 1.00 0.00 O ATOM 347 CB MET A 24 7.719 7.635 -5.202 1.00 0.00 C ATOM 348 CG MET A 24 8.635 6.546 -4.725 1.00 0.00 C ATOM 349 SD MET A 24 9.316 6.874 -3.093 1.00 0.00 S ATOM 350 CE MET A 24 10.450 5.497 -2.924 1.00 0.00 C ATOM 0 H MET A 24 6.350 5.634 -5.709 1.00 0.00 H new ATOM 0 HA MET A 24 6.410 8.237 -6.783 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.283 8.567 -5.249 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.932 7.775 -4.461 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.090 5.602 -4.703 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.451 6.426 -5.437 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.103 5.666 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.885 4.577 -2.773 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.053 5.409 -3.828 1.00 0.00 H new ATOM 360 N SER A 25 8.537 6.167 -8.089 1.00 0.00 N ATOM 361 CA SER A 25 9.435 6.034 -9.199 1.00 0.00 C ATOM 362 C SER A 25 8.648 5.869 -10.503 1.00 0.00 C ATOM 363 O SER A 25 9.217 5.828 -11.595 1.00 0.00 O ATOM 364 CB SER A 25 10.341 4.858 -8.984 1.00 0.00 C ATOM 365 OG SER A 25 11.003 4.939 -7.722 1.00 0.00 O ATOM 0 H SER A 25 8.272 5.285 -7.650 1.00 0.00 H new ATOM 0 HA SER A 25 10.041 6.937 -9.274 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.762 3.936 -9.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.081 4.815 -9.783 1.00 0.00 H new ATOM 0 HG SER A 25 11.034 4.050 -7.311 1.00 0.00 H new ATOM 371 N GLY A 26 7.335 5.792 -10.369 1.00 0.00 N ATOM 372 CA GLY A 26 6.472 5.630 -11.503 1.00 0.00 C ATOM 373 C GLY A 26 6.299 4.189 -11.894 1.00 0.00 C ATOM 374 O GLY A 26 5.907 3.888 -13.028 1.00 0.00 O ATOM 0 H GLY A 26 6.850 5.841 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.497 6.062 -11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.879 6.186 -12.348 1.00 0.00 H new ATOM 378 N LEU A 27 6.574 3.292 -10.969 1.00 0.00 N ATOM 379 CA LEU A 27 6.402 1.886 -11.214 1.00 0.00 C ATOM 380 C LEU A 27 4.942 1.574 -11.215 1.00 0.00 C ATOM 381 O LEU A 27 4.148 2.314 -10.659 1.00 0.00 O ATOM 382 CB LEU A 27 7.088 1.058 -10.147 1.00 0.00 C ATOM 383 CG LEU A 27 8.618 1.080 -10.129 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.142 0.467 -8.847 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.151 0.293 -11.304 1.00 0.00 C ATOM 0 H LEU A 27 6.919 3.520 -10.037 1.00 0.00 H new ATOM 0 HA LEU A 27 6.849 1.641 -12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.733 1.397 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.765 0.023 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 27 8.950 2.116 -10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.232 0.491 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.770 1.034 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.802 -0.566 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.241 0.310 -11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.803 -0.738 -11.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.794 0.739 -12.232 1.00 0.00 H new ATOM 397 N GLU A 28 4.600 0.504 -11.818 1.00 0.00 N ATOM 398 CA GLU A 28 3.229 0.121 -11.914 1.00 0.00 C ATOM 399 C GLU A 28 2.865 -0.706 -10.696 1.00 0.00 C ATOM 400 O GLU A 28 3.677 -1.517 -10.211 1.00 0.00 O ATOM 401 CB GLU A 28 2.977 -0.650 -13.209 1.00 0.00 C ATOM 402 CG GLU A 28 1.516 -0.974 -13.467 1.00 0.00 C ATOM 403 CD GLU A 28 1.316 -1.707 -14.756 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.367 -2.957 -14.760 1.00 0.00 O ATOM 405 OE2 GLU A 28 1.108 -1.060 -15.800 1.00 0.00 O ATOM 0 H GLU A 28 5.255 -0.139 -12.263 1.00 0.00 H new ATOM 0 HA GLU A 28 2.597 1.009 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.362 -0.067 -14.046 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.544 -1.580 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.129 -1.577 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.939 -0.050 -13.484 1.00 0.00 H new ATOM 412 N CYS A 29 1.707 -0.458 -10.166 1.00 0.00 N ATOM 413 CA CYS A 29 1.245 -1.172 -9.024 1.00 0.00 C ATOM 414 C CYS A 29 0.544 -2.450 -9.402 1.00 0.00 C ATOM 415 O CYS A 29 -0.091 -2.567 -10.471 1.00 0.00 O ATOM 416 CB CYS A 29 0.358 -0.310 -8.127 1.00 0.00 C ATOM 417 SG CYS A 29 -0.321 -1.175 -6.663 1.00 0.00 S ATOM 0 H CYS A 29 1.058 0.246 -10.516 1.00 0.00 H new ATOM 0 HA CYS A 29 2.133 -1.439 -8.451 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.935 0.551 -7.788 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.471 0.075 -8.721 1.00 0.00 H new ATOM 422 N GLN A 30 0.685 -3.383 -8.531 1.00 0.00 N ATOM 423 CA GLN A 30 0.097 -4.684 -8.607 1.00 0.00 C ATOM 424 C GLN A 30 -1.251 -4.639 -7.902 1.00 0.00 C ATOM 425 O GLN A 30 -1.372 -4.039 -6.840 1.00 0.00 O ATOM 426 CB GLN A 30 1.018 -5.691 -7.908 1.00 0.00 C ATOM 427 CG GLN A 30 0.426 -7.080 -7.747 1.00 0.00 C ATOM 428 CD GLN A 30 1.287 -7.995 -6.912 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.515 -7.895 -6.897 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.660 -8.878 -6.189 1.00 0.00 N ATOM 0 H GLN A 30 1.249 -3.256 -7.690 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.038 -4.986 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.946 -5.769 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.277 -5.304 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.559 -6.998 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.282 -7.524 -8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.358 -8.936 -6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.187 -9.512 -5.588 1.00 0.00 H new ATOM 439 N ALA A 31 -2.247 -5.251 -8.499 1.00 0.00 N ATOM 440 CA ALA A 31 -3.580 -5.284 -7.940 1.00 0.00 C ATOM 441 C ALA A 31 -3.581 -5.924 -6.563 1.00 0.00 C ATOM 442 O ALA A 31 -3.021 -7.014 -6.375 1.00 0.00 O ATOM 443 CB ALA A 31 -4.519 -6.027 -8.873 1.00 0.00 C ATOM 0 H ALA A 31 -2.156 -5.742 -9.389 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.930 -4.257 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.520 -6.046 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.549 -5.521 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.163 -7.048 -9.010 1.00 0.00 H new ATOM 449 N TRP A 32 -4.201 -5.244 -5.607 1.00 0.00 N ATOM 450 CA TRP A 32 -4.316 -5.711 -4.241 1.00 0.00 C ATOM 451 C TRP A 32 -5.006 -7.074 -4.191 1.00 0.00 C ATOM 452 O TRP A 32 -4.697 -7.909 -3.333 1.00 0.00 O ATOM 453 CB TRP A 32 -5.134 -4.725 -3.409 1.00 0.00 C ATOM 454 CG TRP A 32 -4.589 -3.329 -3.319 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.067 -2.227 -3.958 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.483 -2.878 -2.527 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.342 -1.127 -3.601 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.358 -1.492 -2.741 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.591 -3.503 -1.663 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.380 -0.721 -2.121 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.625 -2.736 -1.052 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.526 -1.361 -1.285 1.00 0.00 C ATOM 0 H TRP A 32 -4.643 -4.339 -5.767 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.308 -5.796 -3.835 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.140 -4.675 -3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.228 -5.123 -2.399 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.899 -2.223 -4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.514 -0.177 -3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.654 -4.565 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.304 0.342 -2.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.927 -3.208 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.752 -0.796 -0.788 1.00 0.00 H new ATOM 473 N ASP A 33 -5.913 -7.296 -5.132 1.00 0.00 N ATOM 474 CA ASP A 33 -6.692 -8.531 -5.219 1.00 0.00 C ATOM 475 C ASP A 33 -5.978 -9.587 -6.057 1.00 0.00 C ATOM 476 O ASP A 33 -6.569 -10.606 -6.439 1.00 0.00 O ATOM 477 CB ASP A 33 -8.094 -8.256 -5.799 1.00 0.00 C ATOM 478 CG ASP A 33 -8.088 -7.742 -7.226 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.661 -6.589 -7.466 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.559 -8.462 -8.133 1.00 0.00 O ATOM 0 H ASP A 33 -6.133 -6.621 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.799 -8.918 -4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.678 -9.175 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.601 -7.528 -5.165 1.00 0.00 H new ATOM 485 N SER A 34 -4.725 -9.361 -6.324 1.00 0.00 N ATOM 486 CA SER A 34 -3.934 -10.284 -7.051 1.00 0.00 C ATOM 487 C SER A 34 -2.697 -10.616 -6.226 1.00 0.00 C ATOM 488 O SER A 34 -1.963 -9.726 -5.792 1.00 0.00 O ATOM 489 CB SER A 34 -3.563 -9.684 -8.406 1.00 0.00 C ATOM 490 OG SER A 34 -2.861 -10.606 -9.211 1.00 0.00 O ATOM 0 H SER A 34 -4.227 -8.519 -6.036 1.00 0.00 H new ATOM 0 HA SER A 34 -4.487 -11.205 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.468 -9.365 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.952 -8.794 -8.255 1.00 0.00 H new ATOM 0 HG SER A 34 -2.641 -10.189 -10.070 1.00 0.00 H new ATOM 496 N GLN A 35 -2.471 -11.882 -6.003 1.00 0.00 N ATOM 497 CA GLN A 35 -1.366 -12.346 -5.183 1.00 0.00 C ATOM 498 C GLN A 35 -0.164 -12.720 -6.042 1.00 0.00 C ATOM 499 O GLN A 35 0.694 -13.514 -5.636 1.00 0.00 O ATOM 500 CB GLN A 35 -1.799 -13.557 -4.358 1.00 0.00 C ATOM 501 CG GLN A 35 -2.926 -13.299 -3.379 1.00 0.00 C ATOM 502 CD GLN A 35 -2.566 -12.224 -2.395 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.405 -12.011 -2.109 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.539 -11.571 -1.842 1.00 0.00 N ATOM 0 H GLN A 35 -3.048 -12.632 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.077 -11.533 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.105 -14.350 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.936 -13.928 -3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.824 -13.008 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.162 -14.219 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.504 -11.774 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.340 -10.854 -1.144 1.00 0.00 H new ATOM 513 N SER A 36 -0.089 -12.154 -7.210 1.00 0.00 N ATOM 514 CA SER A 36 0.989 -12.416 -8.115 1.00 0.00 C ATOM 515 C SER A 36 1.395 -11.119 -8.807 1.00 0.00 C ATOM 516 O SER A 36 0.540 -10.368 -9.260 1.00 0.00 O ATOM 517 CB SER A 36 0.560 -13.475 -9.126 1.00 0.00 C ATOM 518 OG SER A 36 0.157 -14.664 -8.443 1.00 0.00 O ATOM 0 H SER A 36 -0.780 -11.492 -7.564 1.00 0.00 H new ATOM 0 HA SER A 36 1.853 -12.798 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.262 -13.098 -9.734 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.383 -13.697 -9.805 1.00 0.00 H new ATOM 0 HG SER A 36 -0.119 -15.340 -9.097 1.00 0.00 H new ATOM 524 N PRO A 37 2.698 -10.809 -8.835 1.00 0.00 N ATOM 525 CA PRO A 37 3.767 -11.767 -8.445 1.00 0.00 C ATOM 526 C PRO A 37 3.975 -11.793 -6.928 1.00 0.00 C ATOM 527 O PRO A 37 4.350 -12.809 -6.351 1.00 0.00 O ATOM 528 CB PRO A 37 5.006 -11.167 -9.118 1.00 0.00 C ATOM 529 CG PRO A 37 4.696 -9.717 -9.151 1.00 0.00 C ATOM 530 CD PRO A 37 3.267 -9.658 -9.561 1.00 0.00 C ATOM 0 HA PRO A 37 3.540 -12.793 -8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.914 -11.373 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.157 -11.571 -10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.850 -9.255 -8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.335 -9.189 -9.859 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.797 -8.718 -9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.147 -9.755 -10.640 1.00 0.00 H new ATOM 538 N HIS A 38 3.716 -10.668 -6.303 1.00 0.00 N ATOM 539 CA HIS A 38 3.924 -10.509 -4.887 1.00 0.00 C ATOM 540 C HIS A 38 2.744 -11.007 -4.064 1.00 0.00 C ATOM 541 O HIS A 38 1.648 -10.398 -4.079 1.00 0.00 O ATOM 542 CB HIS A 38 4.213 -9.050 -4.553 1.00 0.00 C ATOM 543 CG HIS A 38 5.446 -8.509 -5.202 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.416 -7.593 -6.217 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.750 -8.762 -4.972 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.641 -7.313 -6.583 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.471 -8.003 -5.845 1.00 0.00 N ATOM 0 H HIS A 38 3.354 -9.835 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 38 4.786 -11.122 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.360 -8.443 -4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.309 -8.948 -3.472 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.572 -7.191 -6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.150 -9.441 -4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.921 -6.624 -7.367 1.00 0.00 H new ATOM 556 N ALA A 39 2.959 -12.102 -3.370 1.00 0.00 N ATOM 557 CA ALA A 39 1.991 -12.646 -2.448 1.00 0.00 C ATOM 558 C ALA A 39 1.973 -11.737 -1.244 1.00 0.00 C ATOM 559 O ALA A 39 3.038 -11.366 -0.727 1.00 0.00 O ATOM 560 CB ALA A 39 2.384 -14.061 -2.046 1.00 0.00 C ATOM 0 H ALA A 39 3.820 -12.645 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 39 1.003 -12.700 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.646 -14.460 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.425 -14.693 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.363 -14.044 -1.566 1.00 0.00 H new ATOM 566 N HIS A 40 0.805 -11.335 -0.820 1.00 0.00 N ATOM 567 CA HIS A 40 0.711 -10.349 0.236 1.00 0.00 C ATOM 568 C HIS A 40 -0.632 -10.451 0.964 1.00 0.00 C ATOM 569 O HIS A 40 -1.660 -10.681 0.341 1.00 0.00 O ATOM 570 CB HIS A 40 0.884 -8.941 -0.371 1.00 0.00 C ATOM 571 CG HIS A 40 -0.242 -8.518 -1.276 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.427 -8.993 -2.543 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.290 -7.726 -1.027 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.552 -8.507 -3.012 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.090 -7.735 -2.112 1.00 0.00 N ATOM 0 H HIS A 40 -0.089 -11.667 -1.181 1.00 0.00 H new ATOM 0 HA HIS A 40 1.500 -10.535 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.976 -8.217 0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.818 -8.912 -0.933 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.204 -9.621 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.465 -7.175 -0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.965 -8.714 -3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.967 -7.224 -2.211 1.00 0.00 H new ATOM 584 N GLY A 41 -0.637 -10.171 2.238 1.00 0.00 N ATOM 585 CA GLY A 41 -1.848 -10.319 3.019 1.00 0.00 C ATOM 586 C GLY A 41 -2.795 -9.134 2.964 1.00 0.00 C ATOM 587 O GLY A 41 -3.664 -9.004 3.818 1.00 0.00 O ATOM 0 H GLY A 41 0.174 -9.841 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.379 -11.206 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.573 -10.497 4.059 1.00 0.00 H new ATOM 591 N TYR A 42 -2.685 -8.285 1.953 1.00 0.00 N ATOM 592 CA TYR A 42 -3.583 -7.155 1.891 1.00 0.00 C ATOM 593 C TYR A 42 -4.665 -7.521 0.951 1.00 0.00 C ATOM 594 O TYR A 42 -4.591 -7.245 -0.252 1.00 0.00 O ATOM 595 CB TYR A 42 -2.926 -5.832 1.454 1.00 0.00 C ATOM 596 CG TYR A 42 -1.816 -5.313 2.339 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.572 -5.928 2.377 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.008 -4.181 3.114 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.442 -5.429 3.161 1.00 0.00 C ATOM 600 CE2 TYR A 42 -0.996 -3.672 3.894 1.00 0.00 C ATOM 601 CZ TYR A 42 0.227 -4.296 3.913 1.00 0.00 C ATOM 602 OH TYR A 42 1.239 -3.788 4.677 1.00 0.00 O ATOM 0 H TYR A 42 -2.008 -8.355 1.193 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.947 -6.959 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.529 -5.963 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.701 -5.068 1.394 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.398 -6.812 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.970 -3.689 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.402 -5.923 3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.162 -2.786 4.489 1.00 0.00 H new ATOM 0 HH TYR A 42 0.997 -2.890 4.986 1.00 0.00 H new ATOM 612 N ILE A 43 -5.563 -8.291 1.457 1.00 0.00 N ATOM 613 CA ILE A 43 -6.693 -8.738 0.697 1.00 0.00 C ATOM 614 C ILE A 43 -7.826 -7.703 0.825 1.00 0.00 C ATOM 615 O ILE A 43 -8.274 -7.398 1.935 1.00 0.00 O ATOM 616 CB ILE A 43 -7.140 -10.123 1.218 1.00 0.00 C ATOM 617 CG1 ILE A 43 -5.939 -11.088 1.172 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.297 -10.665 0.386 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.181 -12.432 1.811 1.00 0.00 C ATOM 0 H ILE A 43 -5.540 -8.635 2.417 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.431 -8.836 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.489 -10.027 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.655 -11.243 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.091 -10.614 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.596 -11.640 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.141 -9.978 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.983 -10.765 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.281 -13.041 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.433 -12.295 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.005 -12.933 1.303 1.00 0.00 H new ATOM 631 N PRO A 44 -8.334 -7.179 -0.307 1.00 0.00 N ATOM 632 CA PRO A 44 -9.330 -6.095 -0.309 1.00 0.00 C ATOM 633 C PRO A 44 -10.676 -6.483 0.263 1.00 0.00 C ATOM 634 O PRO A 44 -11.365 -5.647 0.853 1.00 0.00 O ATOM 635 CB PRO A 44 -9.489 -5.732 -1.780 1.00 0.00 C ATOM 636 CG PRO A 44 -8.318 -6.334 -2.461 1.00 0.00 C ATOM 637 CD PRO A 44 -7.962 -7.556 -1.681 1.00 0.00 C ATOM 0 HA PRO A 44 -8.986 -5.278 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.423 -6.124 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.511 -4.651 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.557 -6.588 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.483 -5.634 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.513 -8.431 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.902 -7.795 -1.763 1.00 0.00 H new ATOM 645 N SER A 45 -11.034 -7.733 0.128 1.00 0.00 N ATOM 646 CA SER A 45 -12.314 -8.197 0.571 1.00 0.00 C ATOM 647 C SER A 45 -12.375 -8.311 2.090 1.00 0.00 C ATOM 648 O SER A 45 -13.456 -8.356 2.672 1.00 0.00 O ATOM 649 CB SER A 45 -12.632 -9.521 -0.113 1.00 0.00 C ATOM 650 OG SER A 45 -11.509 -10.392 -0.049 1.00 0.00 O ATOM 0 H SER A 45 -10.446 -8.453 -0.291 1.00 0.00 H new ATOM 0 HA SER A 45 -13.074 -7.467 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.492 -9.989 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.905 -9.344 -1.153 1.00 0.00 H new ATOM 0 HG SER A 45 -11.727 -11.239 -0.490 1.00 0.00 H new ATOM 656 N LYS A 46 -11.221 -8.350 2.731 1.00 0.00 N ATOM 657 CA LYS A 46 -11.189 -8.441 4.135 1.00 0.00 C ATOM 658 C LYS A 46 -10.854 -7.078 4.745 1.00 0.00 C ATOM 659 O LYS A 46 -10.960 -6.879 5.951 1.00 0.00 O ATOM 660 CB LYS A 46 -10.216 -9.525 4.556 1.00 0.00 C ATOM 661 CG LYS A 46 -8.746 -9.147 4.568 1.00 0.00 C ATOM 662 CD LYS A 46 -7.856 -10.340 4.931 1.00 0.00 C ATOM 663 CE LYS A 46 -8.255 -10.989 6.258 1.00 0.00 C ATOM 664 NZ LYS A 46 -8.167 -10.066 7.409 1.00 0.00 N ATOM 0 H LYS A 46 -10.307 -8.319 2.280 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.172 -8.723 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.490 -9.860 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.344 -10.377 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.461 -8.765 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.584 -8.341 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.910 -11.084 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.819 -10.010 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.275 -11.364 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.612 -11.850 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.514 -10.544 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.177 -9.780 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.748 -9.224 7.224 1.00 0.00 H new ATOM 678 N PHE A 47 -10.448 -6.141 3.894 1.00 0.00 N ATOM 679 CA PHE A 47 -10.170 -4.771 4.327 1.00 0.00 C ATOM 680 C PHE A 47 -10.919 -3.757 3.434 1.00 0.00 C ATOM 681 O PHE A 47 -10.297 -3.015 2.668 1.00 0.00 O ATOM 682 CB PHE A 47 -8.656 -4.439 4.308 1.00 0.00 C ATOM 683 CG PHE A 47 -7.776 -5.343 5.131 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.920 -5.413 6.507 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.801 -6.122 4.524 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.112 -6.242 7.261 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.990 -6.952 5.275 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.144 -7.011 6.644 1.00 0.00 C ATOM 0 H PHE A 47 -10.303 -6.304 2.898 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.521 -4.695 5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.310 -4.469 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.523 -3.416 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.673 -4.812 6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.674 -6.079 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.237 -6.289 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.236 -7.554 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.509 -7.657 7.233 1.00 0.00 H new ATOM 698 N PRO A 48 -12.270 -3.713 3.502 1.00 0.00 N ATOM 699 CA PRO A 48 -13.076 -2.800 2.662 1.00 0.00 C ATOM 700 C PRO A 48 -13.018 -1.370 3.191 1.00 0.00 C ATOM 701 O PRO A 48 -13.112 -0.393 2.441 1.00 0.00 O ATOM 702 CB PRO A 48 -14.487 -3.361 2.835 1.00 0.00 C ATOM 703 CG PRO A 48 -14.479 -3.905 4.218 1.00 0.00 C ATOM 704 CD PRO A 48 -13.136 -4.542 4.384 1.00 0.00 C ATOM 0 HA PRO A 48 -12.734 -2.753 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.244 -2.587 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.703 -4.137 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.633 -3.114 4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.279 -4.632 4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.801 -4.516 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.143 -5.588 4.077 1.00 0.00 H new ATOM 712 N ASN A 49 -12.791 -1.288 4.486 1.00 0.00 N ATOM 713 CA ASN A 49 -12.770 -0.050 5.249 1.00 0.00 C ATOM 714 C ASN A 49 -11.664 0.890 4.757 1.00 0.00 C ATOM 715 O ASN A 49 -11.804 2.112 4.826 1.00 0.00 O ATOM 716 CB ASN A 49 -12.556 -0.414 6.743 1.00 0.00 C ATOM 717 CG ASN A 49 -12.777 0.712 7.776 1.00 0.00 C ATOM 718 OD1 ASN A 49 -13.189 0.440 8.899 1.00 0.00 O ATOM 719 ND2 ASN A 49 -12.533 1.942 7.438 1.00 0.00 N ATOM 0 H ASN A 49 -12.609 -2.111 5.060 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.715 0.478 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.226 -1.237 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.538 -0.785 6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.684 2.695 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.191 2.155 6.501 1.00 0.00 H new ATOM 726 N LYS A 50 -10.595 0.344 4.229 1.00 0.00 N ATOM 727 CA LYS A 50 -9.499 1.160 3.788 1.00 0.00 C ATOM 728 C LYS A 50 -9.518 1.367 2.274 1.00 0.00 C ATOM 729 O LYS A 50 -8.515 1.763 1.694 1.00 0.00 O ATOM 730 CB LYS A 50 -8.173 0.571 4.253 1.00 0.00 C ATOM 731 CG LYS A 50 -8.009 0.463 5.780 1.00 0.00 C ATOM 732 CD LYS A 50 -8.337 1.784 6.494 1.00 0.00 C ATOM 733 CE LYS A 50 -8.194 1.671 8.013 1.00 0.00 C ATOM 734 NZ LYS A 50 -6.789 1.716 8.478 1.00 0.00 N ATOM 0 H LYS A 50 -10.464 -0.659 4.096 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.613 2.144 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.062 -0.423 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.362 1.183 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.661 -0.324 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.986 0.170 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.675 2.568 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.355 2.085 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.751 2.481 8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.649 0.737 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.731 1.338 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.195 1.142 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.452 2.700 8.471 1.00 0.00 H new ATOM 748 N ASN A 51 -10.677 1.086 1.659 1.00 0.00 N ATOM 749 CA ASN A 51 -10.941 1.322 0.215 1.00 0.00 C ATOM 750 C ASN A 51 -9.867 0.675 -0.656 1.00 0.00 C ATOM 751 O ASN A 51 -9.421 1.243 -1.644 1.00 0.00 O ATOM 752 CB ASN A 51 -10.989 2.838 -0.089 1.00 0.00 C ATOM 753 CG ASN A 51 -11.671 3.137 -1.411 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.557 2.406 -1.845 1.00 0.00 O ATOM 755 ND2 ASN A 51 -11.277 4.196 -2.064 1.00 0.00 N ATOM 0 H ASN A 51 -11.474 0.682 2.150 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.906 0.871 -0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.517 3.351 0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.974 3.235 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.707 4.433 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.539 4.786 -1.681 1.00 0.00 H new ATOM 762 N LEU A 52 -9.484 -0.521 -0.316 1.00 0.00 N ATOM 763 CA LEU A 52 -8.414 -1.190 -1.007 1.00 0.00 C ATOM 764 C LEU A 52 -8.942 -1.710 -2.356 1.00 0.00 C ATOM 765 O LEU A 52 -9.514 -2.783 -2.414 1.00 0.00 O ATOM 766 CB LEU A 52 -7.917 -2.345 -0.130 1.00 0.00 C ATOM 767 CG LEU A 52 -6.486 -2.799 -0.339 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.525 -1.717 0.128 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.223 -4.096 0.400 1.00 0.00 C ATOM 0 H LEU A 52 -9.900 -1.060 0.443 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.585 -0.509 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.031 -2.052 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.572 -3.201 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.328 -2.976 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.499 -2.051 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.699 -0.805 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.687 -1.519 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.190 -4.405 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.394 -3.948 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.896 -4.869 0.029 1.00 0.00 H new ATOM 781 N LYS A 53 -8.838 -0.908 -3.419 1.00 0.00 N ATOM 782 CA LYS A 53 -9.408 -1.312 -4.714 1.00 0.00 C ATOM 783 C LYS A 53 -8.351 -1.418 -5.795 1.00 0.00 C ATOM 784 O LYS A 53 -7.413 -0.606 -5.856 1.00 0.00 O ATOM 785 CB LYS A 53 -10.442 -0.305 -5.238 1.00 0.00 C ATOM 786 CG LYS A 53 -11.529 0.226 -4.275 1.00 0.00 C ATOM 787 CD LYS A 53 -12.716 -0.724 -4.050 1.00 0.00 C ATOM 788 CE LYS A 53 -12.367 -1.925 -3.199 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.528 -2.792 -2.944 1.00 0.00 N ATOM 0 H LYS A 53 -8.378 0.002 -3.415 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.871 -2.279 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.896 0.556 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.950 -0.766 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.067 0.440 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.908 1.171 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.528 -0.174 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.086 -1.067 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.588 -2.504 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.956 -1.585 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.236 -3.600 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.263 -2.250 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.907 -3.140 -3.848 1.00 0.00 H new ATOM 803 N LYS A 54 -8.585 -2.360 -6.684 1.00 0.00 N ATOM 804 CA LYS A 54 -7.782 -2.616 -7.888 1.00 0.00 C ATOM 805 C LYS A 54 -6.281 -2.623 -7.603 1.00 0.00 C ATOM 806 O LYS A 54 -5.818 -3.361 -6.754 1.00 0.00 O ATOM 807 CB LYS A 54 -8.155 -1.616 -9.003 1.00 0.00 C ATOM 808 CG LYS A 54 -9.621 -1.674 -9.390 1.00 0.00 C ATOM 809 CD LYS A 54 -9.977 -0.639 -10.443 1.00 0.00 C ATOM 810 CE LYS A 54 -11.465 -0.676 -10.747 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.879 0.365 -11.710 1.00 0.00 N ATOM 0 H LYS A 54 -9.372 -3.003 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.021 -3.621 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.912 -0.606 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.545 -1.819 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.857 -2.669 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.236 -1.515 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.696 0.355 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.409 -0.829 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.726 -1.657 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.024 -0.550 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.902 0.293 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.658 1.304 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.369 0.231 -12.606 1.00 0.00 H new ATOM 825 N ASN A 55 -5.550 -1.800 -8.305 1.00 0.00 N ATOM 826 CA ASN A 55 -4.113 -1.675 -8.134 1.00 0.00 C ATOM 827 C ASN A 55 -3.813 -0.221 -7.832 1.00 0.00 C ATOM 828 O ASN A 55 -2.739 0.296 -8.122 1.00 0.00 O ATOM 829 CB ASN A 55 -3.386 -2.092 -9.429 1.00 0.00 C ATOM 830 CG ASN A 55 -3.598 -1.122 -10.587 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.667 -0.502 -10.735 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.588 -0.960 -11.394 1.00 0.00 N ATOM 0 H ASN A 55 -5.933 -1.186 -9.023 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.771 -2.320 -7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.318 -2.175 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.731 -3.082 -9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.659 -0.309 -12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.726 -1.484 -11.244 1.00 0.00 H new ATOM 839 N TYR A 56 -4.779 0.440 -7.266 1.00 0.00 N ATOM 840 CA TYR A 56 -4.637 1.819 -6.974 1.00 0.00 C ATOM 841 C TYR A 56 -3.984 2.018 -5.643 1.00 0.00 C ATOM 842 O TYR A 56 -4.373 1.384 -4.653 1.00 0.00 O ATOM 843 CB TYR A 56 -5.971 2.534 -7.083 1.00 0.00 C ATOM 844 CG TYR A 56 -6.507 2.632 -8.497 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.663 2.852 -9.597 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.853 2.490 -8.739 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.170 2.929 -10.875 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.360 2.569 -10.013 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.518 2.789 -11.076 1.00 0.00 C ATOM 850 OH TYR A 56 -8.035 2.883 -12.349 1.00 0.00 O ATOM 0 H TYR A 56 -5.676 0.035 -6.999 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.978 2.267 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.702 2.013 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.867 3.539 -6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.600 2.962 -9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.524 2.313 -7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.510 3.099 -11.713 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.421 2.458 -10.179 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.007 2.759 -12.317 1.00 0.00 H new ATOM 860 N CYS A 57 -3.021 2.900 -5.637 1.00 0.00 N ATOM 861 CA CYS A 57 -2.176 3.196 -4.500 1.00 0.00 C ATOM 862 C CYS A 57 -2.986 3.606 -3.300 1.00 0.00 C ATOM 863 O CYS A 57 -3.771 4.530 -3.372 1.00 0.00 O ATOM 864 CB CYS A 57 -1.213 4.296 -4.872 1.00 0.00 C ATOM 865 SG CYS A 57 -0.202 4.859 -3.503 1.00 0.00 S ATOM 0 H CYS A 57 -2.790 3.459 -6.458 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.628 2.292 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.562 3.943 -5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.776 5.141 -5.269 1.00 0.00 H new ATOM 870 N ARG A 58 -2.791 2.930 -2.194 1.00 0.00 N ATOM 871 CA ARG A 58 -3.585 3.171 -1.017 1.00 0.00 C ATOM 872 C ARG A 58 -2.699 3.274 0.208 1.00 0.00 C ATOM 873 O ARG A 58 -1.495 3.082 0.120 1.00 0.00 O ATOM 874 CB ARG A 58 -4.627 2.042 -0.822 1.00 0.00 C ATOM 875 CG ARG A 58 -5.691 1.942 -1.861 1.00 0.00 C ATOM 876 CD ARG A 58 -6.281 3.292 -2.147 1.00 0.00 C ATOM 877 NE ARG A 58 -7.564 3.275 -2.845 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.955 2.581 -3.912 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.183 1.674 -4.461 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.161 2.810 -4.410 1.00 0.00 N ATOM 0 H ARG A 58 -2.083 2.203 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.113 4.115 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.097 1.090 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.106 2.182 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.275 1.520 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.473 1.262 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.406 3.823 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.569 3.863 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.274 3.894 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.259 1.487 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.506 1.156 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.768 3.506 -3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.482 2.291 -5.227 1.00 0.00 H new ATOM 894 N ASN A 59 -3.294 3.607 1.324 1.00 0.00 N ATOM 895 CA ASN A 59 -2.587 3.629 2.595 1.00 0.00 C ATOM 896 C ASN A 59 -3.483 2.972 3.631 1.00 0.00 C ATOM 897 O ASN A 59 -4.152 3.634 4.371 1.00 0.00 O ATOM 898 CB ASN A 59 -2.191 5.072 3.028 1.00 0.00 C ATOM 899 CG ASN A 59 -1.285 5.078 4.258 1.00 0.00 C ATOM 900 OD1 ASN A 59 -0.611 4.105 4.530 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.216 6.187 4.973 1.00 0.00 N ATOM 0 H ASN A 59 -4.277 3.871 1.386 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.649 3.082 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.683 5.571 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.093 5.646 3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.586 6.239 5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.792 6.991 4.724 1.00 0.00 H new ATOM 908 N PRO A 60 -3.556 1.639 3.640 1.00 0.00 N ATOM 909 CA PRO A 60 -4.514 0.919 4.485 1.00 0.00 C ATOM 910 C PRO A 60 -4.042 0.717 5.918 1.00 0.00 C ATOM 911 O PRO A 60 -4.824 0.770 6.866 1.00 0.00 O ATOM 912 CB PRO A 60 -4.619 -0.429 3.779 1.00 0.00 C ATOM 913 CG PRO A 60 -3.255 -0.646 3.199 1.00 0.00 C ATOM 914 CD PRO A 60 -2.714 0.717 2.843 1.00 0.00 C ATOM 0 HA PRO A 60 -5.450 1.469 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.887 -1.224 4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.384 -0.414 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.604 -1.145 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.306 -1.285 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.659 0.811 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.799 0.917 1.775 1.00 0.00 H new ATOM 922 N ASP A 61 -2.783 0.499 6.050 1.00 0.00 N ATOM 923 CA ASP A 61 -2.142 0.176 7.303 1.00 0.00 C ATOM 924 C ASP A 61 -1.596 1.389 8.022 1.00 0.00 C ATOM 925 O ASP A 61 -0.965 1.260 9.089 1.00 0.00 O ATOM 926 CB ASP A 61 -1.028 -0.838 7.064 1.00 0.00 C ATOM 927 CG ASP A 61 -0.083 -0.507 5.917 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.198 0.576 5.290 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.772 -1.360 5.613 1.00 0.00 O ATOM 0 H ASP A 61 -2.133 0.539 5.265 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.907 -0.251 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.443 -0.933 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.480 -1.811 6.872 1.00 0.00 H new ATOM 934 N ARG A 62 -1.865 2.553 7.473 1.00 0.00 N ATOM 935 CA ARG A 62 -1.388 3.810 8.016 1.00 0.00 C ATOM 936 C ARG A 62 0.110 3.869 8.044 1.00 0.00 C ATOM 937 O ARG A 62 0.742 3.938 9.108 1.00 0.00 O ATOM 938 CB ARG A 62 -1.992 4.181 9.388 1.00 0.00 C ATOM 939 CG ARG A 62 -3.441 4.557 9.309 1.00 0.00 C ATOM 940 CD ARG A 62 -4.013 5.001 10.642 1.00 0.00 C ATOM 941 NE ARG A 62 -5.366 5.516 10.451 1.00 0.00 N ATOM 942 CZ ARG A 62 -6.109 6.181 11.330 1.00 0.00 C ATOM 943 NH1 ARG A 62 -5.719 6.311 12.598 1.00 0.00 N ATOM 944 NH2 ARG A 62 -7.252 6.710 10.919 1.00 0.00 N ATOM 0 H ARG A 62 -2.427 2.657 6.628 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.750 4.572 7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.878 3.337 10.069 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.430 5.012 9.813 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.563 5.360 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.012 3.705 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.028 4.163 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.379 5.771 11.082 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.789 5.346 9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.839 5.897 12.906 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.300 6.824 13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.544 6.602 9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.840 7.225 11.574 1.00 0.00 H new ATOM 958 N ASP A 63 0.684 3.760 6.883 1.00 0.00 N ATOM 959 CA ASP A 63 2.095 3.919 6.712 1.00 0.00 C ATOM 960 C ASP A 63 2.356 5.432 6.717 1.00 0.00 C ATOM 961 O ASP A 63 1.456 6.224 7.078 1.00 0.00 O ATOM 962 CB ASP A 63 2.533 3.296 5.382 1.00 0.00 C ATOM 963 CG ASP A 63 3.979 2.863 5.383 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.873 3.712 5.429 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.235 1.648 5.384 1.00 0.00 O ATOM 0 H ASP A 63 0.180 3.556 6.020 1.00 0.00 H new ATOM 0 HA ASP A 63 2.658 3.423 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.901 2.435 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.376 4.017 4.580 1.00 0.00 H new ATOM 970 N LEU A 64 3.514 5.856 6.339 1.00 0.00 N ATOM 971 CA LEU A 64 3.823 7.280 6.382 1.00 0.00 C ATOM 972 C LEU A 64 3.054 8.033 5.320 1.00 0.00 C ATOM 973 O LEU A 64 2.512 9.129 5.573 1.00 0.00 O ATOM 974 CB LEU A 64 5.337 7.582 6.279 1.00 0.00 C ATOM 975 CG LEU A 64 6.270 7.171 7.449 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.308 5.663 7.678 1.00 0.00 C ATOM 977 CD2 LEU A 64 7.675 7.688 7.188 1.00 0.00 C ATOM 0 H LEU A 64 4.268 5.260 5.997 1.00 0.00 H new ATOM 0 HA LEU A 64 3.506 7.629 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.708 7.096 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.448 8.656 6.132 1.00 0.00 H new ATOM 0 HG LEU A 64 5.863 7.619 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.977 5.438 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.305 5.305 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.669 5.167 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.328 7.398 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.052 7.263 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.654 8.775 7.107 1.00 0.00 H new ATOM 989 N ARG A 65 2.976 7.453 4.179 1.00 0.00 N ATOM 990 CA ARG A 65 2.282 8.008 3.072 1.00 0.00 C ATOM 991 C ARG A 65 1.867 6.852 2.212 1.00 0.00 C ATOM 992 O ARG A 65 2.470 5.781 2.350 1.00 0.00 O ATOM 993 CB ARG A 65 3.168 9.039 2.301 1.00 0.00 C ATOM 994 CG ARG A 65 4.486 8.508 1.733 1.00 0.00 C ATOM 995 CD ARG A 65 5.276 9.636 1.069 1.00 0.00 C ATOM 996 NE ARG A 65 6.544 9.188 0.452 1.00 0.00 N ATOM 997 CZ ARG A 65 7.209 9.878 -0.504 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.793 11.088 -0.859 1.00 0.00 N ATOM 999 NH2 ARG A 65 8.300 9.375 -1.067 1.00 0.00 N ATOM 0 H ARG A 65 3.407 6.550 3.982 1.00 0.00 H new ATOM 0 HA ARG A 65 1.407 8.572 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.581 9.447 1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.394 9.867 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.079 8.062 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.285 7.721 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.655 10.102 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.494 10.402 1.813 1.00 0.00 H new ATOM 0 HE ARG A 65 6.942 8.303 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.973 11.497 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.294 11.608 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.646 8.459 -0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.793 9.904 -1.786 1.00 0.00 H new ATOM 1013 N PRO A 66 0.799 7.008 1.390 1.00 0.00 N ATOM 1014 CA PRO A 66 0.321 5.955 0.479 1.00 0.00 C ATOM 1015 C PRO A 66 1.439 5.272 -0.298 1.00 0.00 C ATOM 1016 O PRO A 66 2.518 5.851 -0.547 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.637 6.708 -0.436 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.232 7.711 0.481 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.076 8.205 1.309 1.00 0.00 C ATOM 0 HA PRO A 66 -0.146 5.128 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.116 7.179 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.393 6.049 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.699 8.526 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.006 7.266 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.431 9.046 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.398 8.540 2.295 1.00 0.00 H new ATOM 1027 N TRP A 67 1.160 4.089 -0.718 1.00 0.00 N ATOM 1028 CA TRP A 67 2.122 3.210 -1.282 1.00 0.00 C ATOM 1029 C TRP A 67 1.379 2.147 -2.064 1.00 0.00 C ATOM 1030 O TRP A 67 0.141 2.076 -2.000 1.00 0.00 O ATOM 1031 CB TRP A 67 2.975 2.578 -0.147 1.00 0.00 C ATOM 1032 CG TRP A 67 2.157 1.813 0.863 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.565 2.302 1.998 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.838 0.427 0.815 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.893 1.293 2.646 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.045 0.139 1.935 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.148 -0.600 -0.074 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.559 -1.127 2.184 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.666 -1.854 0.178 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.878 -2.109 1.296 1.00 0.00 C ATOM 0 H TRP A 67 0.221 3.692 -0.677 1.00 0.00 H new ATOM 0 HA TRP A 67 2.798 3.744 -1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.713 1.908 -0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.526 3.367 0.365 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.618 3.327 2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.368 1.391 3.515 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.757 -0.409 -0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.052 -1.332 3.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.901 -2.660 -0.502 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.510 -3.110 1.464 1.00 0.00 H new ATOM 1051 N CYS A 68 2.085 1.327 -2.780 1.00 0.00 N ATOM 1052 CA CYS A 68 1.442 0.309 -3.538 1.00 0.00 C ATOM 1053 C CYS A 68 2.431 -0.810 -3.805 1.00 0.00 C ATOM 1054 O CYS A 68 3.657 -0.587 -3.735 1.00 0.00 O ATOM 1055 CB CYS A 68 0.916 0.899 -4.853 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.718 0.278 -5.339 1.00 0.00 S ATOM 0 H CYS A 68 3.102 1.345 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 68 0.596 -0.094 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.868 1.984 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.628 0.679 -5.648 1.00 0.00 H new ATOM 1061 N PHE A 69 1.931 -2.006 -4.066 1.00 0.00 N ATOM 1062 CA PHE A 69 2.793 -3.115 -4.407 1.00 0.00 C ATOM 1063 C PHE A 69 3.234 -2.967 -5.834 1.00 0.00 C ATOM 1064 O PHE A 69 2.469 -2.542 -6.669 1.00 0.00 O ATOM 1065 CB PHE A 69 2.106 -4.467 -4.187 1.00 0.00 C ATOM 1066 CG PHE A 69 2.095 -4.932 -2.754 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.181 -5.614 -2.234 1.00 0.00 C ATOM 1068 CD2 PHE A 69 1.014 -4.700 -1.937 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.194 -6.052 -0.927 1.00 0.00 C ATOM 1070 CE2 PHE A 69 1.017 -5.137 -0.625 1.00 0.00 C ATOM 1071 CZ PHE A 69 2.108 -5.813 -0.119 1.00 0.00 C ATOM 0 H PHE A 69 0.936 -2.229 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 69 3.660 -3.096 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.078 -4.401 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.607 -5.219 -4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.036 -5.807 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.155 -4.172 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.053 -6.580 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.161 -4.948 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.109 -6.153 0.906 1.00 0.00 H new ATOM 1081 N THR A 70 4.444 -3.285 -6.112 1.00 0.00 N ATOM 1082 CA THR A 70 4.972 -3.094 -7.426 1.00 0.00 C ATOM 1083 C THR A 70 4.799 -4.321 -8.297 1.00 0.00 C ATOM 1084 O THR A 70 4.590 -5.434 -7.798 1.00 0.00 O ATOM 1085 CB THR A 70 6.454 -2.758 -7.320 1.00 0.00 C ATOM 1086 OG1 THR A 70 7.034 -3.595 -6.314 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.668 -1.302 -6.966 1.00 0.00 C ATOM 0 H THR A 70 5.101 -3.685 -5.442 1.00 0.00 H new ATOM 0 HA THR A 70 4.420 -2.278 -7.893 1.00 0.00 H new ATOM 0 HB THR A 70 6.929 -2.932 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.754 -4.130 -6.709 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.736 -1.097 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.226 -0.671 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.196 -1.088 -6.007 1.00 0.00 H new ATOM 1095 N THR A 71 4.831 -4.114 -9.589 1.00 0.00 N ATOM 1096 CA THR A 71 4.897 -5.197 -10.518 1.00 0.00 C ATOM 1097 C THR A 71 6.364 -5.587 -10.719 1.00 0.00 C ATOM 1098 O THR A 71 6.674 -6.675 -11.194 1.00 0.00 O ATOM 1099 CB THR A 71 4.260 -4.795 -11.851 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.741 -3.496 -12.230 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.746 -4.768 -11.739 1.00 0.00 C ATOM 0 H THR A 71 4.812 -3.189 -10.019 1.00 0.00 H new ATOM 0 HA THR A 71 4.344 -6.051 -10.126 1.00 0.00 H new ATOM 0 HB THR A 71 4.534 -5.529 -12.608 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.758 -3.426 -13.207 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.315 -4.480 -12.698 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.384 -5.758 -11.461 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.450 -4.047 -10.977 1.00 0.00 H new ATOM 1109 N ASP A 72 7.253 -4.681 -10.304 1.00 0.00 N ATOM 1110 CA ASP A 72 8.682 -4.876 -10.375 1.00 0.00 C ATOM 1111 C ASP A 72 9.065 -5.952 -9.387 1.00 0.00 C ATOM 1112 O ASP A 72 8.668 -5.871 -8.245 1.00 0.00 O ATOM 1113 CB ASP A 72 9.394 -3.567 -10.016 1.00 0.00 C ATOM 1114 CG ASP A 72 10.887 -3.729 -9.900 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.575 -3.769 -10.937 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.399 -3.833 -8.774 1.00 0.00 O ATOM 0 H ASP A 72 6.984 -3.782 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 72 8.974 -5.173 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.172 -2.818 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.999 -3.191 -9.072 1.00 0.00 H new ATOM 1121 N PRO A 73 9.808 -6.987 -9.802 1.00 0.00 N ATOM 1122 CA PRO A 73 10.160 -8.098 -8.923 1.00 0.00 C ATOM 1123 C PRO A 73 11.245 -7.771 -7.892 1.00 0.00 C ATOM 1124 O PRO A 73 11.486 -8.556 -6.966 1.00 0.00 O ATOM 1125 CB PRO A 73 10.643 -9.202 -9.881 1.00 0.00 C ATOM 1126 CG PRO A 73 10.389 -8.700 -11.247 1.00 0.00 C ATOM 1127 CD PRO A 73 10.321 -7.204 -11.157 1.00 0.00 C ATOM 0 HA PRO A 73 9.300 -8.381 -8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.703 -9.410 -9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.107 -10.134 -9.703 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.183 -9.010 -11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.457 -9.106 -11.640 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.299 -6.745 -11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.659 -6.782 -11.913 1.00 0.00 H new ATOM 1135 N ASN A 74 11.894 -6.635 -8.027 1.00 0.00 N ATOM 1136 CA ASN A 74 12.938 -6.271 -7.082 1.00 0.00 C ATOM 1137 C ASN A 74 12.312 -5.587 -5.888 1.00 0.00 C ATOM 1138 O ASN A 74 12.650 -5.875 -4.731 1.00 0.00 O ATOM 1139 CB ASN A 74 14.001 -5.382 -7.733 1.00 0.00 C ATOM 1140 CG ASN A 74 15.149 -5.047 -6.799 1.00 0.00 C ATOM 1141 OD1 ASN A 74 16.133 -5.767 -6.737 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.065 -3.945 -6.113 1.00 0.00 N ATOM 0 H ASN A 74 11.725 -5.954 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 74 13.445 -7.178 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.394 -5.884 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.535 -4.457 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.833 -3.663 -5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.231 -3.362 -6.184 1.00 0.00 H new ATOM 1149 N LYS A 75 11.380 -4.708 -6.165 1.00 0.00 N ATOM 1150 CA LYS A 75 10.633 -4.050 -5.136 1.00 0.00 C ATOM 1151 C LYS A 75 9.510 -4.922 -4.742 1.00 0.00 C ATOM 1152 O LYS A 75 8.893 -5.544 -5.581 1.00 0.00 O ATOM 1153 CB LYS A 75 10.061 -2.719 -5.607 1.00 0.00 C ATOM 1154 CG LYS A 75 11.014 -1.560 -5.606 1.00 0.00 C ATOM 1155 CD LYS A 75 11.371 -1.102 -4.199 1.00 0.00 C ATOM 1156 CE LYS A 75 12.036 0.275 -4.199 1.00 0.00 C ATOM 1157 NZ LYS A 75 13.269 0.327 -5.008 1.00 0.00 N ATOM 0 H LYS A 75 11.122 -4.433 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 75 11.307 -3.856 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.677 -2.848 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.211 -2.466 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.924 -1.842 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.571 -0.729 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.469 -1.069 -3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.041 -1.829 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.329 1.012 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.271 0.558 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.707 1.265 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.933 -0.401 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.037 0.153 -6.007 1.00 0.00 H new ATOM 1171 N ARG A 76 9.273 -5.039 -3.494 1.00 0.00 N ATOM 1172 CA ARG A 76 8.097 -5.751 -3.087 1.00 0.00 C ATOM 1173 C ARG A 76 6.953 -4.766 -3.172 1.00 0.00 C ATOM 1174 O ARG A 76 5.828 -5.103 -3.525 1.00 0.00 O ATOM 1175 CB ARG A 76 8.217 -6.293 -1.673 1.00 0.00 C ATOM 1176 CG ARG A 76 7.180 -7.379 -1.395 1.00 0.00 C ATOM 1177 CD ARG A 76 7.255 -7.962 0.009 1.00 0.00 C ATOM 1178 NE ARG A 76 6.297 -9.075 0.142 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.710 -9.511 1.272 1.00 0.00 C ATOM 1180 NH1 ARG A 76 5.978 -8.959 2.453 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.857 -10.506 1.210 1.00 0.00 N ATOM 0 H ARG A 76 9.852 -4.667 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 76 7.941 -6.615 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.218 -6.698 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.092 -5.479 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.184 -6.965 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.309 -8.184 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.266 -8.315 0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.033 -7.190 0.745 1.00 0.00 H new ATOM 0 HE ARG A 76 6.052 -9.569 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.642 -8.187 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.520 -9.308 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.645 -10.941 0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.406 -10.845 2.060 1.00 0.00 H new ATOM 1195 N TRP A 77 7.305 -3.533 -2.909 1.00 0.00 N ATOM 1196 CA TRP A 77 6.391 -2.407 -2.908 1.00 0.00 C ATOM 1197 C TRP A 77 7.184 -1.132 -2.996 1.00 0.00 C ATOM 1198 O TRP A 77 8.418 -1.149 -2.854 1.00 0.00 O ATOM 1199 CB TRP A 77 5.522 -2.383 -1.620 1.00 0.00 C ATOM 1200 CG TRP A 77 6.320 -2.349 -0.329 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.769 -3.416 0.392 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.755 -1.183 0.388 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.480 -2.982 1.486 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.480 -1.624 1.509 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.609 0.187 0.186 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 8.052 -0.746 2.418 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.173 1.052 1.086 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.889 0.584 2.192 1.00 0.00 C ATOM 0 H TRP A 77 8.264 -3.272 -2.682 1.00 0.00 H new ATOM 0 HA TRP A 77 5.725 -2.504 -3.765 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.869 -1.511 -1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.879 -3.263 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.592 -4.451 0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.935 -3.584 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.060 0.561 -0.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.606 -1.106 3.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.062 2.116 0.938 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.322 1.294 2.881 1.00 0.00 H new ATOM 1219 N GLU A 78 6.498 -0.043 -3.181 1.00 0.00 N ATOM 1220 CA GLU A 78 7.134 1.253 -3.202 1.00 0.00 C ATOM 1221 C GLU A 78 6.141 2.293 -2.696 1.00 0.00 C ATOM 1222 O GLU A 78 4.932 2.036 -2.675 1.00 0.00 O ATOM 1223 CB GLU A 78 7.618 1.635 -4.610 1.00 0.00 C ATOM 1224 CG GLU A 78 8.650 2.745 -4.594 1.00 0.00 C ATOM 1225 CD GLU A 78 9.162 3.115 -5.948 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.455 3.807 -6.684 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.314 2.777 -6.275 1.00 0.00 O ATOM 0 H GLU A 78 5.488 -0.021 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 78 8.013 1.216 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.044 0.756 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.764 1.948 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.212 3.628 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.490 2.438 -3.970 1.00 0.00 H new ATOM 1234 N TYR A 79 6.651 3.445 -2.297 1.00 0.00 N ATOM 1235 CA TYR A 79 5.839 4.528 -1.810 1.00 0.00 C ATOM 1236 C TYR A 79 5.270 5.309 -2.954 1.00 0.00 C ATOM 1237 O TYR A 79 5.771 5.247 -4.071 1.00 0.00 O ATOM 1238 CB TYR A 79 6.637 5.486 -0.922 1.00 0.00 C ATOM 1239 CG TYR A 79 6.832 5.049 0.505 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.829 5.254 1.436 1.00 0.00 C ATOM 1241 CD2 TYR A 79 8.017 4.469 0.934 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.987 4.893 2.750 1.00 0.00 C ATOM 1243 CE2 TYR A 79 8.188 4.106 2.259 1.00 0.00 C ATOM 1244 CZ TYR A 79 7.164 4.319 3.162 1.00 0.00 C ATOM 1245 OH TYR A 79 7.328 3.970 4.488 1.00 0.00 O ATOM 0 H TYR A 79 7.650 3.649 -2.305 1.00 0.00 H new ATOM 0 HA TYR A 79 5.040 4.081 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.618 5.637 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.134 6.453 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.901 5.708 1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.815 4.299 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.188 5.060 3.458 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.116 3.659 2.585 1.00 0.00 H new ATOM 0 HH TYR A 79 6.455 3.957 4.933 1.00 0.00 H new ATOM 1255 N CYS A 80 4.230 6.004 -2.679 1.00 0.00 N ATOM 1256 CA CYS A 80 3.614 6.893 -3.605 1.00 0.00 C ATOM 1257 C CYS A 80 3.857 8.309 -3.129 1.00 0.00 C ATOM 1258 O CYS A 80 3.629 8.623 -1.950 1.00 0.00 O ATOM 1259 CB CYS A 80 2.126 6.618 -3.631 1.00 0.00 C ATOM 1260 SG CYS A 80 1.650 5.007 -4.264 1.00 0.00 S ATOM 0 H CYS A 80 3.764 5.972 -1.772 1.00 0.00 H new ATOM 0 HA CYS A 80 4.026 6.756 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.737 6.720 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.643 7.385 -4.237 1.00 0.00 H new ATOM 1265 N ASP A 81 4.333 9.163 -3.998 1.00 0.00 N ATOM 1266 CA ASP A 81 4.562 10.541 -3.613 1.00 0.00 C ATOM 1267 C ASP A 81 3.304 11.345 -3.848 1.00 0.00 C ATOM 1268 O ASP A 81 3.065 11.875 -4.936 1.00 0.00 O ATOM 1269 CB ASP A 81 5.769 11.142 -4.348 1.00 0.00 C ATOM 1270 CG ASP A 81 6.011 12.608 -4.015 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.934 12.994 -2.830 1.00 0.00 O ATOM 1272 OD2 ASP A 81 6.299 13.396 -4.938 1.00 0.00 O ATOM 0 H ASP A 81 4.568 8.938 -4.965 1.00 0.00 H new ATOM 0 HA ASP A 81 4.803 10.574 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.661 10.568 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.618 11.041 -5.423 1.00 0.00 H new ATOM 1277 N ILE A 82 2.455 11.328 -2.851 1.00 0.00 N ATOM 1278 CA ILE A 82 1.206 12.030 -2.882 1.00 0.00 C ATOM 1279 C ILE A 82 1.123 12.968 -1.686 1.00 0.00 C ATOM 1280 O ILE A 82 1.220 12.516 -0.525 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.005 11.048 -2.812 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.170 9.912 -3.829 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.317 11.802 -3.063 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.004 8.945 -3.918 1.00 0.00 C ATOM 0 H ILE A 82 2.619 10.817 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 82 1.161 12.583 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.045 10.612 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.338 10.348 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.067 9.349 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.153 11.105 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.443 12.576 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.289 12.262 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.788 8.178 -4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.162 8.475 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.903 9.489 -4.208 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.447 -4.187 13.267 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.325 -4.821 13.941 1.00 0.00 C ATOM 1496 C ALA B 108 -2.648 -5.802 12.990 1.00 0.00 C ATOM 1497 O ALA B 108 -1.421 -5.946 12.983 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.779 -5.517 15.214 1.00 0.00 C ATOM 0 HA ALA B 108 -2.604 -4.055 14.228 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -2.922 -5.983 15.699 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.225 -4.786 15.889 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.516 -6.281 14.968 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.458 -6.453 12.171 1.00 0.00 N ATOM 1505 CA GLU B 109 -2.979 -7.362 11.150 1.00 0.00 C ATOM 1506 C GLU B 109 -2.269 -6.536 10.085 1.00 0.00 C ATOM 1507 O GLU B 109 -1.162 -6.872 9.645 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.165 -8.132 10.564 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.804 -9.223 9.572 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.993 -10.073 9.241 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.968 -9.554 8.685 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.993 -11.274 9.559 1.00 0.00 O ATOM 0 H GLU B 109 -4.474 -6.363 12.199 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.280 -8.090 11.562 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.727 -8.580 11.384 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -4.830 -7.422 10.072 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.411 -8.773 8.660 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.012 -9.847 9.987 1.00 0.00 H new ATOM 1519 N LEU B 110 -2.893 -5.414 9.735 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.331 -4.440 8.821 1.00 0.00 C ATOM 1521 C LEU B 110 -1.010 -3.917 9.344 1.00 0.00 C ATOM 1522 O LEU B 110 -0.067 -3.746 8.585 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.318 -3.287 8.602 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.536 -3.581 7.716 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.509 -2.413 7.739 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.095 -3.854 6.284 1.00 0.00 C ATOM 0 H LEU B 110 -3.816 -5.158 10.087 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.148 -4.928 7.864 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.678 -2.958 9.577 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.773 -2.451 8.164 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.038 -4.465 8.110 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.366 -2.641 7.105 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -5.849 -2.243 8.761 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.011 -1.517 7.368 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -4.970 -4.061 5.667 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.572 -2.982 5.892 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.427 -4.715 6.267 1.00 0.00 H new ATOM 1538 N GLN B 111 -0.939 -3.694 10.649 1.00 0.00 N ATOM 1539 CA GLN B 111 0.272 -3.224 11.290 1.00 0.00 C ATOM 1540 C GLN B 111 1.390 -4.243 11.115 1.00 0.00 C ATOM 1541 O GLN B 111 2.502 -3.878 10.784 1.00 0.00 O ATOM 1542 CB GLN B 111 0.034 -2.944 12.774 1.00 0.00 C ATOM 1543 CG GLN B 111 1.227 -2.331 13.501 1.00 0.00 C ATOM 1544 CD GLN B 111 0.958 -2.121 14.975 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.218 -2.873 15.598 1.00 0.00 O ATOM 1546 NE2 GLN B 111 1.555 -1.119 15.550 1.00 0.00 N ATOM 0 H GLN B 111 -1.721 -3.835 11.289 1.00 0.00 H new ATOM 0 HA GLN B 111 0.569 -2.290 10.814 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -0.819 -2.273 12.872 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.236 -3.877 13.268 1.00 0.00 H new ATOM 0 HG2 GLN B 111 2.095 -2.980 13.382 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.478 -1.375 13.040 1.00 0.00 H new ATOM 0 HE21 GLN B 111 2.166 -0.509 15.006 1.00 0.00 H new ATOM 0 HE22 GLN B 111 1.413 -0.943 16.545 1.00 0.00 H new ATOM 1555 N ARG B 112 1.069 -5.515 11.299 1.00 0.00 N ATOM 1556 CA ARG B 112 2.053 -6.598 11.162 1.00 0.00 C ATOM 1557 C ARG B 112 2.518 -6.669 9.731 1.00 0.00 C ATOM 1558 O ARG B 112 3.683 -6.843 9.474 1.00 0.00 O ATOM 1559 CB ARG B 112 1.440 -7.938 11.507 1.00 0.00 C ATOM 1560 CG ARG B 112 2.465 -9.037 11.723 1.00 0.00 C ATOM 1561 CD ARG B 112 2.004 -10.351 11.129 1.00 0.00 C ATOM 1562 NE ARG B 112 2.263 -10.413 9.685 1.00 0.00 N ATOM 1563 CZ ARG B 112 1.387 -10.797 8.747 1.00 0.00 C ATOM 1564 NH1 ARG B 112 0.108 -10.998 9.054 1.00 0.00 N ATOM 1565 NH2 ARG B 112 1.794 -10.959 7.493 1.00 0.00 N ATOM 0 H ARG B 112 0.131 -5.832 11.545 1.00 0.00 H new ATOM 0 HA ARG B 112 2.879 -6.387 11.841 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.838 -7.831 12.409 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.763 -8.236 10.706 1.00 0.00 H new ATOM 0 HG2 ARG B 112 3.413 -8.745 11.271 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.646 -9.163 12.791 1.00 0.00 H new ATOM 0 HD2 ARG B 112 2.516 -11.175 11.626 1.00 0.00 H new ATOM 0 HD3 ARG B 112 0.938 -10.480 11.314 1.00 0.00 H new ATOM 0 HE ARG B 112 3.193 -10.139 9.368 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -0.214 -10.860 10.012 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -0.550 -11.290 8.332 1.00 0.00 H new ATOM 0 HH21 ARG B 112 2.770 -10.791 7.248 1.00 0.00 H new ATOM 0 HH22 ARG B 112 1.131 -11.251 6.775 1.00 0.00 H new ATOM 1579 N LEU B 113 1.580 -6.562 8.816 1.00 0.00 N ATOM 1580 CA LEU B 113 1.871 -6.548 7.382 1.00 0.00 C ATOM 1581 C LEU B 113 2.787 -5.377 7.034 1.00 0.00 C ATOM 1582 O LEU B 113 3.750 -5.523 6.269 1.00 0.00 O ATOM 1583 CB LEU B 113 0.569 -6.436 6.587 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.358 -7.649 6.592 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.715 -7.272 6.024 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.242 -8.753 5.754 1.00 0.00 C ATOM 0 H LEU B 113 0.587 -6.481 9.037 1.00 0.00 H new ATOM 0 HA LEU B 113 2.375 -7.479 7.122 1.00 0.00 H new ATOM 0 HB2 LEU B 113 0.011 -5.583 6.972 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.824 -6.210 5.552 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.480 -7.993 7.619 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.368 -8.145 6.032 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.157 -6.482 6.631 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.595 -6.918 5.000 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.423 -9.617 5.760 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.372 -8.403 4.730 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.210 -9.037 6.166 1.00 0.00 H new ATOM 1598 N LYS B 114 2.486 -4.236 7.614 1.00 0.00 N ATOM 1599 CA LYS B 114 3.248 -3.025 7.432 1.00 0.00 C ATOM 1600 C LYS B 114 4.648 -3.250 7.962 1.00 0.00 C ATOM 1601 O LYS B 114 5.634 -2.982 7.283 1.00 0.00 O ATOM 1602 CB LYS B 114 2.567 -1.909 8.205 1.00 0.00 C ATOM 1603 CG LYS B 114 2.933 -0.514 7.772 1.00 0.00 C ATOM 1604 CD LYS B 114 2.057 0.494 8.458 1.00 0.00 C ATOM 1605 CE LYS B 114 2.549 0.846 9.842 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.654 1.812 10.490 1.00 0.00 N ATOM 0 H LYS B 114 1.687 -4.124 8.238 1.00 0.00 H new ATOM 0 HA LYS B 114 3.303 -2.754 6.378 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.488 -2.030 8.112 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.810 -2.020 9.262 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.979 -0.316 8.007 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.826 -0.422 6.691 1.00 0.00 H new ATOM 0 HD2 LYS B 114 2.008 1.399 7.853 1.00 0.00 H new ATOM 0 HD3 LYS B 114 1.042 0.101 8.526 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.615 -0.057 10.449 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.554 1.262 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.946 1.947 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.702 2.721 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.678 1.453 10.463 1.00 0.00 H new ATOM 1620 N ASN B 115 4.705 -3.780 9.165 1.00 0.00 N ATOM 1621 CA ASN B 115 5.940 -4.137 9.860 1.00 0.00 C ATOM 1622 C ASN B 115 6.731 -5.138 9.045 1.00 0.00 C ATOM 1623 O ASN B 115 7.941 -5.015 8.917 1.00 0.00 O ATOM 1624 CB ASN B 115 5.604 -4.732 11.248 1.00 0.00 C ATOM 1625 CG ASN B 115 5.191 -3.708 12.291 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.612 -2.557 12.263 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.384 -4.121 13.242 1.00 0.00 N ATOM 0 H ASN B 115 3.868 -3.984 9.711 1.00 0.00 H new ATOM 0 HA ASN B 115 6.544 -3.239 9.991 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.800 -5.458 11.132 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.474 -5.276 11.616 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.094 -3.479 13.979 1.00 0.00 H new ATOM 0 HD22 ASN B 115 4.047 -5.084 13.243 1.00 0.00 H new ATOM 1634 N GLU B 116 6.029 -6.103 8.485 1.00 0.00 N ATOM 1635 CA GLU B 116 6.586 -7.122 7.616 1.00 0.00 C ATOM 1636 C GLU B 116 7.266 -6.468 6.448 1.00 0.00 C ATOM 1637 O GLU B 116 8.449 -6.654 6.229 1.00 0.00 O ATOM 1638 CB GLU B 116 5.475 -8.030 7.099 1.00 0.00 C ATOM 1639 CG GLU B 116 5.970 -9.092 6.160 1.00 0.00 C ATOM 1640 CD GLU B 116 4.906 -10.050 5.743 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.334 -10.733 6.618 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.618 -10.142 4.523 1.00 0.00 O ATOM 0 H GLU B 116 5.024 -6.203 8.626 1.00 0.00 H new ATOM 0 HA GLU B 116 7.306 -7.714 8.181 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.979 -8.505 7.945 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.726 -7.424 6.590 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.390 -8.617 5.273 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.779 -9.643 6.639 1.00 0.00 H new ATOM 1649 N ARG B 117 6.489 -5.698 5.708 1.00 0.00 N ATOM 1650 CA ARG B 117 6.983 -4.920 4.570 1.00 0.00 C ATOM 1651 C ARG B 117 8.156 -4.053 4.955 1.00 0.00 C ATOM 1652 O ARG B 117 9.039 -3.825 4.155 1.00 0.00 O ATOM 1653 CB ARG B 117 5.938 -3.986 4.004 1.00 0.00 C ATOM 1654 CG ARG B 117 4.771 -4.605 3.293 1.00 0.00 C ATOM 1655 CD ARG B 117 3.974 -3.501 2.621 1.00 0.00 C ATOM 1656 NE ARG B 117 3.418 -2.554 3.588 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.692 -1.248 3.712 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.653 -0.678 3.011 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.975 -0.515 4.510 1.00 0.00 N ATOM 0 H ARG B 117 5.489 -5.589 5.875 1.00 0.00 H new ATOM 0 HA ARG B 117 7.266 -5.666 3.828 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.550 -3.379 4.822 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.434 -3.307 3.310 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.118 -5.326 2.553 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.143 -5.149 3.998 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.616 -2.967 1.920 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.164 -3.942 2.040 1.00 0.00 H new ATOM 0 HE ARG B 117 2.739 -2.934 4.248 1.00 0.00 H new ATOM 0 HH11 ARG B 117 5.206 -1.233 2.358 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.843 0.318 3.122 1.00 0.00 H new ATOM 0 HH21 ARG B 117 2.209 -0.934 5.037 1.00 0.00 H new ATOM 0 HH22 ARG B 117 3.178 0.480 4.609 1.00 0.00 H new ATOM 1673 N HIS B 118 8.112 -3.532 6.151 1.00 0.00 N ATOM 1674 CA HIS B 118 9.154 -2.693 6.671 1.00 0.00 C ATOM 1675 C HIS B 118 10.401 -3.471 6.956 1.00 0.00 C ATOM 1676 O HIS B 118 11.484 -3.048 6.595 1.00 0.00 O ATOM 1677 CB HIS B 118 8.640 -1.846 7.840 1.00 0.00 C ATOM 1678 CG HIS B 118 7.791 -0.724 7.340 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.957 -0.196 6.076 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.692 -0.124 7.844 1.00 0.00 C ATOM 1681 CE1 HIS B 118 7.000 0.651 5.829 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.227 0.727 6.869 1.00 0.00 N ATOM 0 H HIS B 118 7.339 -3.681 6.800 1.00 0.00 H new ATOM 0 HA HIS B 118 9.451 -1.977 5.904 1.00 0.00 H new ATOM 0 HB2 HIS B 118 8.063 -2.470 8.523 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.482 -1.448 8.406 1.00 0.00 H new ATOM 0 HD2 HIS B 118 6.262 -0.282 8.822 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.870 1.201 4.909 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.404 1.324 6.950 1.00 0.00 H new ATOM 1691 N GLU B 119 10.246 -4.638 7.524 1.00 0.00 N ATOM 1692 CA GLU B 119 11.364 -5.522 7.699 1.00 0.00 C ATOM 1693 C GLU B 119 11.911 -5.905 6.339 1.00 0.00 C ATOM 1694 O GLU B 119 13.064 -5.754 6.109 1.00 0.00 O ATOM 1695 CB GLU B 119 11.005 -6.743 8.560 1.00 0.00 C ATOM 1696 CG GLU B 119 10.788 -6.404 10.009 1.00 0.00 C ATOM 1697 CD GLU B 119 10.336 -7.579 10.852 1.00 0.00 C ATOM 1698 OE1 GLU B 119 11.187 -8.343 11.351 1.00 0.00 O ATOM 1699 OE2 GLU B 119 9.121 -7.755 11.048 1.00 0.00 O ATOM 0 H GLU B 119 9.357 -4.997 7.872 1.00 0.00 H new ATOM 0 HA GLU B 119 12.147 -5.003 8.251 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.102 -7.206 8.163 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.803 -7.482 8.482 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.716 -6.008 10.422 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.043 -5.611 10.079 1.00 0.00 H new ATOM 1706 N GLU B 120 11.034 -6.290 5.427 1.00 0.00 N ATOM 1707 CA GLU B 120 11.413 -6.638 4.042 1.00 0.00 C ATOM 1708 C GLU B 120 12.199 -5.509 3.375 1.00 0.00 C ATOM 1709 O GLU B 120 13.253 -5.735 2.825 1.00 0.00 O ATOM 1710 CB GLU B 120 10.167 -6.911 3.194 1.00 0.00 C ATOM 1711 CG GLU B 120 9.345 -8.107 3.613 1.00 0.00 C ATOM 1712 CD GLU B 120 10.098 -9.385 3.464 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.232 -9.862 2.336 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.565 -9.935 4.473 1.00 0.00 O ATOM 0 H GLU B 120 10.035 -6.374 5.613 1.00 0.00 H new ATOM 0 HA GLU B 120 12.036 -7.530 4.101 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.530 -6.027 3.220 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.477 -7.050 2.158 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.036 -7.988 4.651 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.436 -8.150 3.013 1.00 0.00 H new ATOM 1721 N ALA B 121 11.670 -4.305 3.454 1.00 0.00 N ATOM 1722 CA ALA B 121 12.276 -3.142 2.819 1.00 0.00 C ATOM 1723 C ALA B 121 13.626 -2.824 3.416 1.00 0.00 C ATOM 1724 O ALA B 121 14.605 -2.611 2.690 1.00 0.00 O ATOM 1725 CB ALA B 121 11.361 -1.935 2.904 1.00 0.00 C ATOM 0 H ALA B 121 10.808 -4.100 3.959 1.00 0.00 H new ATOM 0 HA ALA B 121 12.424 -3.389 1.768 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.839 -1.082 2.422 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.420 -2.156 2.401 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.166 -1.699 3.950 1.00 0.00 H new