USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 875 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 58 THR OG1 : rot -83:sc= 0.696 USER MOD Set 1.2: A 67 HIS : no HD1:sc= 0.0219 K(o=0.72,f=-0.23) USER MOD Set 2.1: A 23 TYR OH : rot -86:sc= 0.708 USER MOD Set 2.2: A 34 MET CE :methyl -123:sc= -3.52 (180deg=-8.6!) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.582 X(o=-7.6,f=-7.3) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -7.03! C(o=-7.6!,f=-7.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -32:sc=-0.00631 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.269 USER MOD Single : A 64 LYS NZ :NH3+ 150:sc= -0.558 (180deg=-1.64!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0629 USER MOD Single : A 71 ASN : amide:sc= -0.2 K(o=-0.2,f=-5.4!) USER MOD Single : A 76 HIS : no HD1:sc= -4.29 X(o=-4.3,f=-3.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.218 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 40:sc= 0.00793 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0112 (180deg=-0.13) USER MOD Single : A 98 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0833) USER MOD Single : A 104 MET CE :methyl 180:sc=-0.00324 (180deg=-0.00324) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -59:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -4.366 -9.609 -9.603 1.00 0.00 N ATOM 151 CA ASN A 14 -4.002 -8.600 -8.615 1.00 0.00 C ATOM 152 C ASN A 14 -3.251 -7.445 -9.269 1.00 0.00 C ATOM 153 O ASN A 14 -2.021 -7.390 -9.266 1.00 0.00 O ATOM 154 CB ASN A 14 -3.142 -9.223 -7.513 1.00 0.00 C ATOM 155 CG ASN A 14 -3.810 -10.421 -6.866 1.00 0.00 C ATOM 156 OD1 ASN A 14 -4.164 -10.388 -5.688 1.00 0.00 O ATOM 157 ND2 ASN A 14 -3.984 -11.489 -7.637 1.00 0.00 N ATOM 0 HA ASN A 14 -4.920 -8.210 -8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.183 -9.528 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.932 -8.472 -6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.427 -12.326 -7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.675 -11.472 -8.609 1.00 0.00 H new ATOM 164 N PRO A 15 -4.007 -6.498 -9.845 1.00 0.00 N ATOM 165 CA PRO A 15 -3.435 -5.325 -10.513 1.00 0.00 C ATOM 166 C PRO A 15 -2.793 -4.353 -9.529 1.00 0.00 C ATOM 167 O PRO A 15 -1.839 -3.651 -9.867 1.00 0.00 O ATOM 168 CB PRO A 15 -4.644 -4.678 -11.192 1.00 0.00 C ATOM 169 CG PRO A 15 -5.814 -5.119 -10.382 1.00 0.00 C ATOM 170 CD PRO A 15 -5.479 -6.499 -9.887 1.00 0.00 C ATOM 0 HA PRO A 15 -2.637 -5.598 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.557 -3.592 -11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.736 -5.001 -12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.991 -4.438 -9.549 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.723 -5.130 -10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.909 -6.689 -8.903 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.861 -7.270 -10.556 1.00 0.00 H new ATOM 178 N HIS A 16 -3.321 -4.318 -8.310 1.00 0.00 N ATOM 179 CA HIS A 16 -2.798 -3.432 -7.276 1.00 0.00 C ATOM 180 C HIS A 16 -1.308 -3.674 -7.054 1.00 0.00 C ATOM 181 O HIS A 16 -0.574 -2.767 -6.666 1.00 0.00 O ATOM 182 CB HIS A 16 -3.560 -3.636 -5.966 1.00 0.00 C ATOM 183 CG HIS A 16 -3.784 -5.076 -5.621 1.00 0.00 C ATOM 184 ND1 HIS A 16 -4.859 -5.804 -6.087 1.00 0.00 N ATOM 185 CD2 HIS A 16 -3.061 -5.925 -4.853 1.00 0.00 C ATOM 186 CE1 HIS A 16 -4.789 -7.037 -5.619 1.00 0.00 C ATOM 187 NE2 HIS A 16 -3.707 -7.137 -4.868 1.00 0.00 N ATOM 0 H HIS A 16 -4.110 -4.892 -8.014 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.935 -2.404 -7.611 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.008 -3.159 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.525 -3.133 -6.034 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.147 -5.693 -4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.496 -7.829 -5.817 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.401 -7.978 -4.379 1.00 0.00 H new ATOM 196 N GLU A 17 -0.871 -4.905 -7.303 1.00 0.00 N ATOM 197 CA GLU A 17 0.531 -5.266 -7.129 1.00 0.00 C ATOM 198 C GLU A 17 1.421 -4.461 -8.071 1.00 0.00 C ATOM 199 O GLU A 17 2.635 -4.380 -7.878 1.00 0.00 O ATOM 200 CB GLU A 17 0.730 -6.763 -7.377 1.00 0.00 C ATOM 201 CG GLU A 17 -0.062 -7.647 -6.428 1.00 0.00 C ATOM 202 CD GLU A 17 0.216 -9.123 -6.637 1.00 0.00 C ATOM 203 OE1 GLU A 17 1.285 -9.453 -7.193 1.00 0.00 O ATOM 204 OE2 GLU A 17 -0.634 -9.948 -6.243 1.00 0.00 O ATOM 0 H GLU A 17 -1.467 -5.668 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 17 0.814 -5.034 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.441 -6.995 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.790 -7.001 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.179 -7.378 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.127 -7.459 -6.565 1.00 0.00 H new ATOM 211 N SER A 18 0.810 -3.867 -9.091 1.00 0.00 N ATOM 212 CA SER A 18 1.546 -3.072 -10.066 1.00 0.00 C ATOM 213 C SER A 18 1.460 -1.586 -9.732 1.00 0.00 C ATOM 214 O SER A 18 2.425 -0.841 -9.906 1.00 0.00 O ATOM 215 CB SER A 18 1.003 -3.322 -11.474 1.00 0.00 C ATOM 216 OG SER A 18 1.526 -2.382 -12.397 1.00 0.00 O ATOM 0 H SER A 18 -0.194 -3.922 -9.263 1.00 0.00 H new ATOM 0 HA SER A 18 2.592 -3.375 -10.029 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.261 -4.332 -11.793 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.085 -3.260 -11.464 1.00 0.00 H new ATOM 0 HG SER A 18 1.165 -2.564 -13.290 1.00 0.00 H new ATOM 222 N LYS A 19 0.297 -1.161 -9.250 1.00 0.00 N ATOM 223 CA LYS A 19 0.082 0.235 -8.889 1.00 0.00 C ATOM 224 C LYS A 19 1.303 0.807 -8.176 1.00 0.00 C ATOM 225 O LYS A 19 1.985 0.121 -7.414 1.00 0.00 O ATOM 226 CB LYS A 19 -1.153 0.368 -7.995 1.00 0.00 C ATOM 227 CG LYS A 19 -2.427 -0.155 -8.636 1.00 0.00 C ATOM 228 CD LYS A 19 -2.898 0.750 -9.761 1.00 0.00 C ATOM 229 CE LYS A 19 -3.968 0.078 -10.607 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.095 0.712 -11.949 1.00 0.00 N ATOM 0 H LYS A 19 -0.512 -1.764 -9.100 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.079 0.801 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.977 -0.171 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.291 1.417 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.254 -1.159 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.209 -0.235 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.292 1.676 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.051 1.020 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.726 -0.978 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.926 0.130 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.835 0.225 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.351 1.714 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.189 0.640 -12.454 1.00 0.00 H new ATOM 244 N PRO A 20 1.586 2.094 -8.426 1.00 0.00 N ATOM 245 CA PRO A 20 2.725 2.787 -7.815 1.00 0.00 C ATOM 246 C PRO A 20 2.529 3.018 -6.320 1.00 0.00 C ATOM 247 O PRO A 20 3.449 2.821 -5.527 1.00 0.00 O ATOM 248 CB PRO A 20 2.769 4.122 -8.561 1.00 0.00 C ATOM 249 CG PRO A 20 1.373 4.339 -9.033 1.00 0.00 C ATOM 250 CD PRO A 20 0.816 2.972 -9.323 1.00 0.00 C ATOM 0 HA PRO A 20 3.645 2.208 -7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.096 4.930 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.468 4.086 -9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.780 4.849 -8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.356 4.965 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.253 2.921 -9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.951 2.696 -10.369 1.00 0.00 H new ATOM 258 N TRP A 21 1.326 3.436 -5.944 1.00 0.00 N ATOM 259 CA TRP A 21 1.010 3.693 -4.543 1.00 0.00 C ATOM 260 C TRP A 21 1.085 2.410 -3.724 1.00 0.00 C ATOM 261 O TRP A 21 1.070 2.446 -2.493 1.00 0.00 O ATOM 262 CB TRP A 21 -0.383 4.312 -4.419 1.00 0.00 C ATOM 263 CG TRP A 21 -1.410 3.643 -5.282 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.793 4.017 -6.538 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.184 2.486 -4.951 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.760 3.161 -7.008 1.00 0.00 N ATOM 267 CE2 TRP A 21 -3.017 2.212 -6.053 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.254 1.652 -3.831 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.908 1.142 -6.066 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -3.139 0.591 -3.845 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.956 0.343 -4.957 1.00 0.00 C ATOM 0 H TRP A 21 0.554 3.604 -6.589 1.00 0.00 H new ATOM 0 HA TRP A 21 1.747 4.394 -4.152 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.704 4.261 -3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.328 5.368 -4.684 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.395 4.861 -7.082 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.213 3.222 -7.920 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.628 1.834 -2.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.539 0.950 -6.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.202 -0.058 -2.984 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.637 -0.495 -4.938 1.00 0.00 H new ATOM 282 N TYR A 22 1.166 1.277 -4.413 1.00 0.00 N ATOM 283 CA TYR A 22 1.240 -0.018 -3.748 1.00 0.00 C ATOM 284 C TYR A 22 2.666 -0.315 -3.292 1.00 0.00 C ATOM 285 O TYR A 22 3.621 -0.142 -4.049 1.00 0.00 O ATOM 286 CB TYR A 22 0.752 -1.125 -4.684 1.00 0.00 C ATOM 287 CG TYR A 22 0.700 -2.489 -4.034 1.00 0.00 C ATOM 288 CD1 TYR A 22 1.857 -3.237 -3.849 1.00 0.00 C ATOM 289 CD2 TYR A 22 -0.505 -3.030 -3.604 1.00 0.00 C ATOM 290 CE1 TYR A 22 1.813 -4.484 -3.256 1.00 0.00 C ATOM 291 CE2 TYR A 22 -0.558 -4.276 -3.009 1.00 0.00 C ATOM 292 CZ TYR A 22 0.604 -4.999 -2.838 1.00 0.00 C ATOM 293 OH TYR A 22 0.557 -6.240 -2.246 1.00 0.00 O ATOM 0 H TYR A 22 1.182 1.230 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 22 0.596 0.016 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.242 -0.868 -5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.409 -1.171 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.806 -2.837 -4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.417 -2.467 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.721 -5.053 -3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.503 -4.681 -2.680 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.369 -6.455 -2.009 1.00 0.00 H new ATOM 303 N TYR A 23 2.800 -0.763 -2.048 1.00 0.00 N ATOM 304 CA TYR A 23 4.108 -1.083 -1.489 1.00 0.00 C ATOM 305 C TYR A 23 4.164 -2.537 -1.030 1.00 0.00 C ATOM 306 O TYR A 23 3.183 -3.076 -0.517 1.00 0.00 O ATOM 307 CB TYR A 23 4.425 -0.154 -0.316 1.00 0.00 C ATOM 308 CG TYR A 23 4.840 1.237 -0.740 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.147 1.504 -1.129 1.00 0.00 C ATOM 310 CD2 TYR A 23 3.927 2.283 -0.749 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.531 2.773 -1.517 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.302 3.555 -1.137 1.00 0.00 C ATOM 313 CZ TYR A 23 5.605 3.795 -1.520 1.00 0.00 C ATOM 314 OH TYR A 23 5.983 5.061 -1.905 1.00 0.00 O ATOM 0 H TYR A 23 2.020 -0.912 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 23 4.854 -0.939 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.548 -0.082 0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.223 -0.596 0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.875 0.706 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.906 2.099 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.551 2.964 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.579 4.357 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 23 6.354 5.540 -1.135 1.00 0.00 H new ATOM 324 N ASP A 24 5.319 -3.165 -1.218 1.00 0.00 N ATOM 325 CA ASP A 24 5.505 -4.557 -0.822 1.00 0.00 C ATOM 326 C ASP A 24 6.723 -4.705 0.084 1.00 0.00 C ATOM 327 O ASP A 24 6.776 -5.600 0.928 1.00 0.00 O ATOM 328 CB ASP A 24 5.663 -5.444 -2.058 1.00 0.00 C ATOM 329 CG ASP A 24 5.427 -6.910 -1.752 1.00 0.00 C ATOM 330 OD1 ASP A 24 6.378 -7.583 -1.303 1.00 0.00 O ATOM 331 OD2 ASP A 24 4.291 -7.384 -1.961 1.00 0.00 O ATOM 0 H ASP A 24 6.140 -2.733 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 24 4.621 -4.873 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 24 4.962 -5.119 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.666 -5.318 -2.467 1.00 0.00 H new ATOM 336 N ARG A 25 7.701 -3.823 -0.097 1.00 0.00 N ATOM 337 CA ARG A 25 8.919 -3.858 0.703 1.00 0.00 C ATOM 338 C ARG A 25 9.045 -2.600 1.556 1.00 0.00 C ATOM 339 O ARG A 25 10.135 -2.044 1.705 1.00 0.00 O ATOM 340 CB ARG A 25 10.145 -3.999 -0.202 1.00 0.00 C ATOM 341 CG ARG A 25 10.273 -2.888 -1.231 1.00 0.00 C ATOM 342 CD ARG A 25 10.995 -3.366 -2.481 1.00 0.00 C ATOM 343 NE ARG A 25 12.447 -3.280 -2.340 1.00 0.00 N ATOM 344 CZ ARG A 25 13.295 -3.467 -3.345 1.00 0.00 C ATOM 345 NH1 ARG A 25 12.839 -3.748 -4.558 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.602 -3.372 -3.138 1.00 0.00 N ATOM 0 H ARG A 25 7.673 -3.076 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 25 8.864 -4.722 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.043 -4.015 0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.096 -4.958 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.281 -2.523 -1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.814 -2.048 -0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.711 -4.397 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.677 -2.767 -3.335 1.00 0.00 H new ATOM 0 HE ARG A 25 12.830 -3.065 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.835 -3.821 -4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.492 -3.891 -5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.956 -3.155 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.252 -3.516 -3.910 1.00 0.00 H new ATOM 360 N LEU A 26 7.925 -2.154 2.114 1.00 0.00 N ATOM 361 CA LEU A 26 7.909 -0.961 2.952 1.00 0.00 C ATOM 362 C LEU A 26 7.569 -1.314 4.396 1.00 0.00 C ATOM 363 O LEU A 26 6.872 -2.295 4.658 1.00 0.00 O ATOM 364 CB LEU A 26 6.900 0.053 2.412 1.00 0.00 C ATOM 365 CG LEU A 26 7.013 1.474 2.965 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.285 2.142 2.464 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.791 2.295 2.581 1.00 0.00 C ATOM 0 H LEU A 26 7.015 -2.601 2.001 1.00 0.00 H new ATOM 0 HA LEU A 26 8.905 -0.519 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.005 0.097 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.896 -0.317 2.620 1.00 0.00 H new ATOM 0 HG LEU A 26 7.060 1.417 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.349 3.152 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.151 1.566 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.268 2.187 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.889 3.303 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.712 2.344 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.895 1.827 2.989 1.00 0.00 H new ATOM 379 N SER A 27 8.063 -0.507 5.330 1.00 0.00 N ATOM 380 CA SER A 27 7.812 -0.736 6.748 1.00 0.00 C ATOM 381 C SER A 27 7.394 0.558 7.441 1.00 0.00 C ATOM 382 O SER A 27 7.895 1.636 7.122 1.00 0.00 O ATOM 383 CB SER A 27 9.060 -1.308 7.423 1.00 0.00 C ATOM 384 OG SER A 27 9.536 -2.450 6.731 1.00 0.00 O ATOM 0 H SER A 27 8.639 0.311 5.130 1.00 0.00 H new ATOM 0 HA SER A 27 6.998 -1.455 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.840 -0.548 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.830 -1.574 8.455 1.00 0.00 H new ATOM 0 HG SER A 27 10.335 -2.796 7.181 1.00 0.00 H new ATOM 390 N ARG A 28 6.472 0.441 8.391 1.00 0.00 N ATOM 391 CA ARG A 28 5.985 1.600 9.129 1.00 0.00 C ATOM 392 C ARG A 28 7.104 2.612 9.354 1.00 0.00 C ATOM 393 O ARG A 28 6.933 3.806 9.115 1.00 0.00 O ATOM 394 CB ARG A 28 5.398 1.166 10.473 1.00 0.00 C ATOM 395 CG ARG A 28 6.419 0.542 11.411 1.00 0.00 C ATOM 396 CD ARG A 28 5.749 -0.100 12.616 1.00 0.00 C ATOM 397 NE ARG A 28 6.724 -0.648 13.555 1.00 0.00 N ATOM 398 CZ ARG A 28 7.371 -1.792 13.360 1.00 0.00 C ATOM 399 NH1 ARG A 28 7.148 -2.504 12.264 1.00 0.00 N ATOM 400 NH2 ARG A 28 8.243 -2.225 14.261 1.00 0.00 N ATOM 0 H ARG A 28 6.047 -0.444 8.668 1.00 0.00 H new ATOM 0 HA ARG A 28 5.204 2.074 8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.951 2.032 10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.595 0.450 10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.998 -0.208 10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.120 1.306 11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.132 0.640 13.125 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.083 -0.894 12.280 1.00 0.00 H new ATOM 0 HE ARG A 28 6.919 -0.123 14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.479 -2.174 11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.646 -3.382 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.418 -1.680 15.105 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.739 -3.103 14.110 1.00 0.00 H new ATOM 414 N GLY A 29 8.252 2.124 9.817 1.00 0.00 N ATOM 415 CA GLY A 29 9.382 2.999 10.067 1.00 0.00 C ATOM 416 C GLY A 29 9.531 4.072 9.006 1.00 0.00 C ATOM 417 O GLY A 29 9.703 5.248 9.325 1.00 0.00 O ATOM 0 H GLY A 29 8.419 1.139 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.263 3.471 11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.295 2.405 10.109 1.00 0.00 H new ATOM 421 N GLU A 30 9.466 3.665 7.742 1.00 0.00 N ATOM 422 CA GLU A 30 9.598 4.601 6.632 1.00 0.00 C ATOM 423 C GLU A 30 8.230 5.106 6.181 1.00 0.00 C ATOM 424 O GLU A 30 8.066 6.282 5.858 1.00 0.00 O ATOM 425 CB GLU A 30 10.322 3.937 5.459 1.00 0.00 C ATOM 426 CG GLU A 30 11.729 3.473 5.796 1.00 0.00 C ATOM 427 CD GLU A 30 12.619 3.375 4.572 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.762 4.392 3.860 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.173 2.283 4.326 1.00 0.00 O ATOM 0 H GLU A 30 9.323 2.695 7.462 1.00 0.00 H new ATOM 0 HA GLU A 30 10.185 5.453 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.738 3.082 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.370 4.640 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.175 4.165 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.680 2.499 6.284 1.00 0.00 H new ATOM 436 N ALA A 31 7.252 4.207 6.160 1.00 0.00 N ATOM 437 CA ALA A 31 5.899 4.560 5.750 1.00 0.00 C ATOM 438 C ALA A 31 5.446 5.858 6.409 1.00 0.00 C ATOM 439 O ALA A 31 5.252 6.871 5.738 1.00 0.00 O ATOM 440 CB ALA A 31 4.934 3.431 6.085 1.00 0.00 C ATOM 0 H ALA A 31 7.372 3.229 6.422 1.00 0.00 H new ATOM 0 HA ALA A 31 5.902 4.713 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.927 3.708 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.239 2.525 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.944 3.251 7.160 1.00 0.00 H new ATOM 446 N GLU A 32 5.280 5.821 7.728 1.00 0.00 N ATOM 447 CA GLU A 32 4.849 6.995 8.477 1.00 0.00 C ATOM 448 C GLU A 32 5.606 8.239 8.020 1.00 0.00 C ATOM 449 O GLU A 32 5.002 9.258 7.684 1.00 0.00 O ATOM 450 CB GLU A 32 5.061 6.778 9.976 1.00 0.00 C ATOM 451 CG GLU A 32 3.987 5.920 10.625 1.00 0.00 C ATOM 452 CD GLU A 32 3.834 6.199 12.107 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.614 5.631 12.901 1.00 0.00 O ATOM 454 OE2 GLU A 32 2.936 6.984 12.475 1.00 0.00 O ATOM 0 H GLU A 32 5.438 4.991 8.299 1.00 0.00 H new ATOM 0 HA GLU A 32 3.786 7.146 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.033 6.309 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.090 7.747 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.035 6.097 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.232 4.868 10.481 1.00 0.00 H new ATOM 461 N ASP A 33 6.931 8.148 8.012 1.00 0.00 N ATOM 462 CA ASP A 33 7.771 9.266 7.597 1.00 0.00 C ATOM 463 C ASP A 33 7.342 9.790 6.230 1.00 0.00 C ATOM 464 O ASP A 33 6.992 10.962 6.086 1.00 0.00 O ATOM 465 CB ASP A 33 9.240 8.839 7.554 1.00 0.00 C ATOM 466 CG ASP A 33 10.188 10.010 7.721 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.851 10.942 8.480 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.267 9.995 7.091 1.00 0.00 O ATOM 0 H ASP A 33 7.447 7.312 8.288 1.00 0.00 H new ATOM 0 HA ASP A 33 7.654 10.067 8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.426 8.109 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.444 8.343 6.605 1.00 0.00 H new ATOM 473 N MET A 34 7.372 8.916 5.230 1.00 0.00 N ATOM 474 CA MET A 34 6.985 9.292 3.875 1.00 0.00 C ATOM 475 C MET A 34 5.853 10.315 3.897 1.00 0.00 C ATOM 476 O MET A 34 5.895 11.317 3.181 1.00 0.00 O ATOM 477 CB MET A 34 6.555 8.056 3.083 1.00 0.00 C ATOM 478 CG MET A 34 7.700 7.377 2.348 1.00 0.00 C ATOM 479 SD MET A 34 7.162 6.548 0.839 1.00 0.00 S ATOM 480 CE MET A 34 5.956 5.398 1.496 1.00 0.00 C ATOM 0 H MET A 34 7.660 7.943 5.332 1.00 0.00 H new ATOM 0 HA MET A 34 7.850 9.743 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.096 7.340 3.764 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.791 8.345 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.458 8.120 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.171 6.650 3.009 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.233 4.381 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.928 5.481 2.582 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.972 5.631 1.089 1.00 0.00 H new ATOM 490 N LEU A 35 4.844 10.056 4.720 1.00 0.00 N ATOM 491 CA LEU A 35 3.700 10.954 4.835 1.00 0.00 C ATOM 492 C LEU A 35 4.113 12.285 5.456 1.00 0.00 C ATOM 493 O LEU A 35 3.903 13.346 4.869 1.00 0.00 O ATOM 494 CB LEU A 35 2.599 10.305 5.676 1.00 0.00 C ATOM 495 CG LEU A 35 1.634 9.387 4.925 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.863 10.168 3.873 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.388 8.229 4.286 1.00 0.00 C ATOM 0 H LEU A 35 4.794 9.231 5.318 1.00 0.00 H new ATOM 0 HA LEU A 35 3.317 11.145 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.070 9.730 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.020 11.096 6.153 1.00 0.00 H new ATOM 0 HG LEU A 35 0.920 8.979 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.181 9.498 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.292 10.962 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.562 10.605 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.686 7.586 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.125 8.618 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.894 7.653 5.061 1.00 0.00 H new ATOM 509 N MET A 36 4.703 12.219 6.645 1.00 0.00 N ATOM 510 CA MET A 36 5.148 13.419 7.343 1.00 0.00 C ATOM 511 C MET A 36 5.855 14.374 6.387 1.00 0.00 C ATOM 512 O MET A 36 5.827 15.591 6.576 1.00 0.00 O ATOM 513 CB MET A 36 6.084 13.047 8.495 1.00 0.00 C ATOM 514 CG MET A 36 5.511 11.992 9.427 1.00 0.00 C ATOM 515 SD MET A 36 6.332 11.963 11.032 1.00 0.00 S ATOM 516 CE MET A 36 4.971 11.498 12.100 1.00 0.00 C ATOM 0 H MET A 36 4.884 11.348 7.145 1.00 0.00 H new ATOM 0 HA MET A 36 4.269 13.922 7.746 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.026 12.684 8.084 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.312 13.944 9.071 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.447 12.179 9.571 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.602 11.012 8.959 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.321 11.438 13.130 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.181 12.245 12.028 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.582 10.527 11.792 1.00 0.00 H new ATOM 526 N ARG A 37 6.488 13.816 5.361 1.00 0.00 N ATOM 527 CA ARG A 37 7.203 14.619 4.376 1.00 0.00 C ATOM 528 C ARG A 37 6.231 15.275 3.400 1.00 0.00 C ATOM 529 O ARG A 37 6.393 16.441 3.037 1.00 0.00 O ATOM 530 CB ARG A 37 8.204 13.752 3.609 1.00 0.00 C ATOM 531 CG ARG A 37 9.551 13.621 4.301 1.00 0.00 C ATOM 532 CD ARG A 37 9.537 12.515 5.345 1.00 0.00 C ATOM 533 NE ARG A 37 10.553 12.721 6.373 1.00 0.00 N ATOM 534 CZ ARG A 37 10.408 13.560 7.393 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.295 14.269 7.519 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.378 13.692 8.288 1.00 0.00 N ATOM 0 H ARG A 37 6.521 12.811 5.190 1.00 0.00 H new ATOM 0 HA ARG A 37 7.743 15.403 4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.779 12.758 3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.355 14.177 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.323 13.413 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.811 14.567 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.553 12.469 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.704 11.554 4.858 1.00 0.00 H new ATOM 0 HE ARG A 37 11.422 12.192 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.547 14.171 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.186 14.912 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.236 13.149 8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.266 14.336 9.071 1.00 0.00 H new ATOM 550 N ILE A 38 5.222 14.520 2.979 1.00 0.00 N ATOM 551 CA ILE A 38 4.225 15.028 2.047 1.00 0.00 C ATOM 552 C ILE A 38 3.488 16.229 2.631 1.00 0.00 C ATOM 553 O ILE A 38 2.715 16.113 3.581 1.00 0.00 O ATOM 554 CB ILE A 38 3.198 13.943 1.673 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.897 12.755 1.009 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.130 14.518 0.754 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.366 13.042 -0.401 1.00 0.00 C ATOM 0 H ILE A 38 5.074 13.553 3.269 1.00 0.00 H new ATOM 0 HA ILE A 38 4.761 15.334 1.149 1.00 0.00 H new ATOM 0 HB ILE A 38 2.714 13.592 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.754 12.462 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.214 11.906 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.412 13.739 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.615 15.334 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.597 14.893 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.852 12.156 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.510 13.306 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.074 13.871 -0.387 1.00 0.00 H new ATOM 569 N PRO A 39 3.731 17.413 2.048 1.00 0.00 N ATOM 570 CA PRO A 39 3.099 18.659 2.492 1.00 0.00 C ATOM 571 C PRO A 39 1.608 18.698 2.174 1.00 0.00 C ATOM 572 O PRO A 39 0.930 19.687 2.453 1.00 0.00 O ATOM 573 CB PRO A 39 3.843 19.736 1.700 1.00 0.00 C ATOM 574 CG PRO A 39 4.341 19.036 0.483 1.00 0.00 C ATOM 575 CD PRO A 39 4.642 17.626 0.910 1.00 0.00 C ATOM 0 HA PRO A 39 3.162 18.785 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.182 20.562 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.665 20.156 2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.593 19.052 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.233 19.524 0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.455 16.914 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.685 17.509 1.203 1.00 0.00 H new ATOM 583 N ARG A 40 1.104 17.616 1.590 1.00 0.00 N ATOM 584 CA ARG A 40 -0.307 17.527 1.234 1.00 0.00 C ATOM 585 C ARG A 40 -1.132 17.001 2.405 1.00 0.00 C ATOM 586 O ARG A 40 -0.664 16.168 3.182 1.00 0.00 O ATOM 587 CB ARG A 40 -0.492 16.618 0.017 1.00 0.00 C ATOM 588 CG ARG A 40 0.365 17.015 -1.174 1.00 0.00 C ATOM 589 CD ARG A 40 -0.344 18.030 -2.057 1.00 0.00 C ATOM 590 NE ARG A 40 0.598 18.905 -2.750 1.00 0.00 N ATOM 591 CZ ARG A 40 1.365 19.795 -2.132 1.00 0.00 C ATOM 592 NH1 ARG A 40 1.303 19.928 -0.814 1.00 0.00 N ATOM 593 NH2 ARG A 40 2.198 20.555 -2.832 1.00 0.00 N ATOM 0 H ARG A 40 1.652 16.789 1.353 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.657 18.529 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.254 15.593 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.541 16.631 -0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.308 17.433 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.609 16.129 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.959 17.507 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.018 18.633 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 40 0.671 18.828 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.665 19.346 -0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.894 20.613 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.249 20.456 -3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.787 21.239 -2.356 1.00 0.00 H new ATOM 607 N ASP A 41 -2.359 17.493 2.526 1.00 0.00 N ATOM 608 CA ASP A 41 -3.250 17.073 3.601 1.00 0.00 C ATOM 609 C ASP A 41 -4.226 16.007 3.113 1.00 0.00 C ATOM 610 O ASP A 41 -5.414 16.048 3.430 1.00 0.00 O ATOM 611 CB ASP A 41 -4.020 18.273 4.154 1.00 0.00 C ATOM 612 CG ASP A 41 -4.464 19.228 3.063 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.843 18.749 1.974 1.00 0.00 O ATOM 614 OD2 ASP A 41 -4.432 20.454 3.298 1.00 0.00 O ATOM 0 H ASP A 41 -2.760 18.184 1.892 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.641 16.645 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.894 17.920 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.392 18.807 4.867 1.00 0.00 H new ATOM 619 N GLY A 42 -3.716 15.054 2.339 1.00 0.00 N ATOM 620 CA GLY A 42 -4.557 13.992 1.818 1.00 0.00 C ATOM 621 C GLY A 42 -3.760 12.917 1.108 1.00 0.00 C ATOM 622 O GLY A 42 -4.174 12.417 0.062 1.00 0.00 O ATOM 0 H GLY A 42 -2.736 14.998 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.118 13.542 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.286 14.416 1.127 1.00 0.00 H new ATOM 626 N ALA A 43 -2.612 12.562 1.675 1.00 0.00 N ATOM 627 CA ALA A 43 -1.754 11.539 1.089 1.00 0.00 C ATOM 628 C ALA A 43 -1.998 10.180 1.738 1.00 0.00 C ATOM 629 O ALA A 43 -2.094 10.074 2.960 1.00 0.00 O ATOM 630 CB ALA A 43 -0.292 11.935 1.223 1.00 0.00 C ATOM 0 H ALA A 43 -2.254 12.968 2.540 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.000 11.457 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.336 11.162 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.122 12.880 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.041 12.048 2.278 1.00 0.00 H new ATOM 636 N PHE A 44 -2.098 9.144 0.911 1.00 0.00 N ATOM 637 CA PHE A 44 -2.332 7.792 1.405 1.00 0.00 C ATOM 638 C PHE A 44 -1.362 6.804 0.765 1.00 0.00 C ATOM 639 O PHE A 44 -0.741 7.099 -0.257 1.00 0.00 O ATOM 640 CB PHE A 44 -3.774 7.366 1.121 1.00 0.00 C ATOM 641 CG PHE A 44 -3.990 6.881 -0.284 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.803 5.547 -0.608 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.379 7.761 -1.282 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.001 5.098 -1.900 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.579 7.317 -2.576 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.389 5.985 -2.885 1.00 0.00 C ATOM 0 H PHE A 44 -2.021 9.215 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.165 7.791 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.055 6.575 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.438 8.209 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.499 4.849 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.527 8.804 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.853 4.055 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.884 8.012 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.544 5.637 -3.896 1.00 0.00 H new ATOM 656 N LEU A 45 -1.236 5.630 1.374 1.00 0.00 N ATOM 657 CA LEU A 45 -0.340 4.597 0.866 1.00 0.00 C ATOM 658 C LEU A 45 -0.738 3.223 1.396 1.00 0.00 C ATOM 659 O LEU A 45 -0.951 3.048 2.596 1.00 0.00 O ATOM 660 CB LEU A 45 1.105 4.908 1.257 1.00 0.00 C ATOM 661 CG LEU A 45 1.571 4.351 2.603 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.001 2.900 2.460 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.708 5.193 3.164 1.00 0.00 C ATOM 0 H LEU A 45 -1.743 5.370 2.220 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.420 4.585 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.762 4.520 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.232 5.991 1.271 1.00 0.00 H new ATOM 0 HG LEU A 45 0.735 4.394 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.329 2.521 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.160 2.305 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.822 2.832 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.027 4.782 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.546 5.183 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.366 6.218 3.305 1.00 0.00 H new ATOM 675 N ILE A 46 -0.834 2.251 0.494 1.00 0.00 N ATOM 676 CA ILE A 46 -1.202 0.893 0.872 1.00 0.00 C ATOM 677 C ILE A 46 0.009 -0.033 0.843 1.00 0.00 C ATOM 678 O ILE A 46 0.513 -0.380 -0.225 1.00 0.00 O ATOM 679 CB ILE A 46 -2.290 0.325 -0.059 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.582 1.134 0.078 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.542 -1.142 0.255 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.703 0.637 -0.808 1.00 0.00 C ATOM 0 H ILE A 46 -0.662 2.380 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.594 0.944 1.888 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.943 0.402 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.911 1.105 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.375 2.177 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.313 -1.529 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.621 -1.708 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.872 -1.241 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.587 1.257 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.393 0.692 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.937 -0.397 -0.553 1.00 0.00 H new ATOM 694 N ARG A 47 0.470 -0.431 2.024 1.00 0.00 N ATOM 695 CA ARG A 47 1.622 -1.318 2.135 1.00 0.00 C ATOM 696 C ARG A 47 1.253 -2.599 2.878 1.00 0.00 C ATOM 697 O ARG A 47 0.351 -2.605 3.716 1.00 0.00 O ATOM 698 CB ARG A 47 2.770 -0.610 2.857 1.00 0.00 C ATOM 699 CG ARG A 47 2.618 -0.589 4.369 1.00 0.00 C ATOM 700 CD ARG A 47 3.917 -0.192 5.054 1.00 0.00 C ATOM 701 NE ARG A 47 3.941 -0.597 6.457 1.00 0.00 N ATOM 702 CZ ARG A 47 3.188 -0.038 7.397 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.354 0.945 7.085 1.00 0.00 N ATOM 704 NH2 ARG A 47 3.267 -0.462 8.652 1.00 0.00 N ATOM 0 H ARG A 47 0.064 -0.153 2.917 1.00 0.00 H new ATOM 0 HA ARG A 47 1.943 -1.582 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.708 -1.103 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.840 0.415 2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.830 0.111 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.307 -1.574 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.757 -0.648 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.047 0.888 4.986 1.00 0.00 H new ATOM 0 HE ARG A 47 4.571 -1.351 6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.290 1.273 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.777 1.373 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.907 -1.218 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.688 -0.032 9.373 1.00 0.00 H new ATOM 718 N LYS A 48 1.956 -3.682 2.565 1.00 0.00 N ATOM 719 CA LYS A 48 1.704 -4.969 3.202 1.00 0.00 C ATOM 720 C LYS A 48 2.628 -5.173 4.399 1.00 0.00 C ATOM 721 O LYS A 48 3.823 -4.886 4.329 1.00 0.00 O ATOM 722 CB LYS A 48 1.897 -6.106 2.196 1.00 0.00 C ATOM 723 CG LYS A 48 1.727 -7.489 2.801 1.00 0.00 C ATOM 724 CD LYS A 48 2.172 -8.577 1.838 1.00 0.00 C ATOM 725 CE LYS A 48 3.644 -8.914 2.020 1.00 0.00 C ATOM 726 NZ LYS A 48 3.845 -10.007 3.011 1.00 0.00 N ATOM 0 H LYS A 48 2.706 -3.694 1.873 1.00 0.00 H new ATOM 0 HA LYS A 48 0.673 -4.976 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.183 -5.985 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.893 -6.029 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.306 -7.558 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.682 -7.644 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.570 -9.472 1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.996 -8.251 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.070 -9.210 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.182 -8.024 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.861 -10.207 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.462 -9.715 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.353 -10.864 2.687 1.00 0.00 H new ATOM 740 N ARG A 49 2.066 -5.673 5.495 1.00 0.00 N ATOM 741 CA ARG A 49 2.840 -5.916 6.707 1.00 0.00 C ATOM 742 C ARG A 49 3.264 -7.379 6.797 1.00 0.00 C ATOM 743 O ARG A 49 2.483 -8.281 6.495 1.00 0.00 O ATOM 744 CB ARG A 49 2.024 -5.533 7.943 1.00 0.00 C ATOM 745 CG ARG A 49 0.621 -6.117 7.952 1.00 0.00 C ATOM 746 CD ARG A 49 -0.106 -5.801 9.249 1.00 0.00 C ATOM 747 NE ARG A 49 0.733 -6.042 10.420 1.00 0.00 N ATOM 748 CZ ARG A 49 0.512 -5.492 11.609 1.00 0.00 C ATOM 749 NH1 ARG A 49 -0.516 -4.674 11.784 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.321 -5.761 12.626 1.00 0.00 N ATOM 0 H ARG A 49 1.078 -5.918 5.569 1.00 0.00 H new ATOM 0 HA ARG A 49 3.737 -5.298 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.553 -5.868 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.957 -4.447 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.055 -5.719 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.675 -7.197 7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.426 -4.759 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.007 -6.410 9.317 1.00 0.00 H new ATOM 0 HE ARG A 49 1.533 -6.667 10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.140 -4.465 11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.683 -4.253 12.698 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.113 -6.390 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.151 -5.338 13.539 1.00 0.00 H new ATOM 812 N SER A 54 -2.784 -9.757 7.207 1.00 0.00 N ATOM 813 CA SER A 54 -3.605 -8.572 6.989 1.00 0.00 C ATOM 814 C SER A 54 -2.748 -7.391 6.544 1.00 0.00 C ATOM 815 O SER A 54 -1.581 -7.281 6.917 1.00 0.00 O ATOM 816 CB SER A 54 -4.366 -8.211 8.267 1.00 0.00 C ATOM 817 OG SER A 54 -3.495 -7.669 9.244 1.00 0.00 O ATOM 0 HA SER A 54 -4.321 -8.797 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.151 -7.491 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.856 -9.099 8.665 1.00 0.00 H new ATOM 0 HG SER A 54 -2.610 -8.082 9.159 1.00 0.00 H new ATOM 823 N TYR A 55 -3.337 -6.511 5.742 1.00 0.00 N ATOM 824 CA TYR A 55 -2.628 -5.339 5.242 1.00 0.00 C ATOM 825 C TYR A 55 -3.017 -4.090 6.029 1.00 0.00 C ATOM 826 O TYR A 55 -3.874 -4.140 6.910 1.00 0.00 O ATOM 827 CB TYR A 55 -2.926 -5.132 3.756 1.00 0.00 C ATOM 828 CG TYR A 55 -2.595 -6.332 2.899 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.431 -7.441 2.869 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.446 -6.358 2.119 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.132 -8.541 2.088 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.139 -7.452 1.334 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.985 -8.541 1.322 1.00 0.00 C ATOM 834 OH TYR A 55 -1.684 -9.634 0.542 1.00 0.00 O ATOM 0 H TYR A 55 -4.303 -6.587 5.424 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.559 -5.510 5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.982 -4.891 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.360 -4.272 3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.331 -7.444 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.781 -5.507 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.792 -9.396 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.242 -7.455 0.733 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.844 -9.473 0.064 1.00 0.00 H new ATOM 844 N ALA A 56 -2.379 -2.971 5.703 1.00 0.00 N ATOM 845 CA ALA A 56 -2.658 -1.709 6.376 1.00 0.00 C ATOM 846 C ALA A 56 -2.294 -0.522 5.490 1.00 0.00 C ATOM 847 O ALA A 56 -1.223 -0.495 4.882 1.00 0.00 O ATOM 848 CB ALA A 56 -1.904 -1.636 7.695 1.00 0.00 C ATOM 0 H ALA A 56 -1.665 -2.913 4.977 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.728 -1.663 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.122 -0.688 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.216 -2.459 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.833 -1.709 7.506 1.00 0.00 H new ATOM 854 N ILE A 57 -3.190 0.456 5.421 1.00 0.00 N ATOM 855 CA ILE A 57 -2.962 1.645 4.609 1.00 0.00 C ATOM 856 C ILE A 57 -2.683 2.862 5.484 1.00 0.00 C ATOM 857 O ILE A 57 -3.464 3.192 6.377 1.00 0.00 O ATOM 858 CB ILE A 57 -4.168 1.946 3.700 1.00 0.00 C ATOM 859 CG1 ILE A 57 -3.842 3.098 2.747 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.394 2.277 4.539 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.032 3.575 1.946 1.00 0.00 C ATOM 0 H ILE A 57 -4.081 0.449 5.918 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.091 1.440 3.987 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.386 1.059 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.444 3.933 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.057 2.780 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.238 2.487 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.636 1.429 5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.187 3.152 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.727 4.392 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.418 2.753 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.811 3.924 2.624 1.00 0.00 H new ATOM 873 N THR A 58 -1.563 3.529 5.221 1.00 0.00 N ATOM 874 CA THR A 58 -1.180 4.711 5.983 1.00 0.00 C ATOM 875 C THR A 58 -1.428 5.985 5.183 1.00 0.00 C ATOM 876 O THR A 58 -1.157 6.040 3.984 1.00 0.00 O ATOM 877 CB THR A 58 0.303 4.657 6.395 1.00 0.00 C ATOM 878 OG1 THR A 58 0.538 3.517 7.229 1.00 0.00 O ATOM 879 CG2 THR A 58 0.706 5.925 7.134 1.00 0.00 C ATOM 0 H THR A 58 -0.905 3.270 4.486 1.00 0.00 H new ATOM 0 HA THR A 58 -1.798 4.723 6.880 1.00 0.00 H new ATOM 0 HB THR A 58 0.906 4.576 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.303 3.735 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.757 5.864 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.553 6.788 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.096 6.033 8.031 1.00 0.00 H new ATOM 887 N PHE A 59 -1.944 7.009 5.855 1.00 0.00 N ATOM 888 CA PHE A 59 -2.228 8.284 5.206 1.00 0.00 C ATOM 889 C PHE A 59 -1.880 9.451 6.125 1.00 0.00 C ATOM 890 O PHE A 59 -1.462 9.253 7.266 1.00 0.00 O ATOM 891 CB PHE A 59 -3.703 8.358 4.805 1.00 0.00 C ATOM 892 CG PHE A 59 -4.624 7.677 5.777 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.573 6.304 5.955 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.540 8.411 6.513 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.420 5.676 6.848 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.389 7.788 7.408 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.328 6.419 7.576 1.00 0.00 C ATOM 0 H PHE A 59 -2.174 6.981 6.848 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.611 8.353 4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.994 9.404 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.827 7.905 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.863 5.718 5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.591 9.482 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.372 4.605 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.099 8.371 7.975 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.989 5.930 8.276 1.00 0.00 H new ATOM 907 N ARG A 60 -2.056 10.667 5.619 1.00 0.00 N ATOM 908 CA ARG A 60 -1.760 11.867 6.393 1.00 0.00 C ATOM 909 C ARG A 60 -3.045 12.573 6.815 1.00 0.00 C ATOM 910 O ARG A 60 -3.757 13.136 5.984 1.00 0.00 O ATOM 911 CB ARG A 60 -0.884 12.821 5.579 1.00 0.00 C ATOM 912 CG ARG A 60 -0.100 13.805 6.431 1.00 0.00 C ATOM 913 CD ARG A 60 1.007 14.476 5.632 1.00 0.00 C ATOM 914 NE ARG A 60 1.445 15.726 6.247 1.00 0.00 N ATOM 915 CZ ARG A 60 0.679 16.807 6.342 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.558 16.790 5.866 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.150 17.907 6.916 1.00 0.00 N ATOM 0 H ARG A 60 -2.402 10.848 4.677 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.220 11.566 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.186 12.237 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.514 13.377 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.775 14.563 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.331 13.284 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.855 13.797 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.655 14.674 4.620 1.00 0.00 H new ATOM 0 HE ARG A 60 2.391 15.771 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.923 15.946 5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.144 17.621 5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.101 17.923 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.561 18.737 6.988 1.00 0.00 H new ATOM 931 N ALA A 61 -3.334 12.539 8.112 1.00 0.00 N ATOM 932 CA ALA A 61 -4.532 13.177 8.644 1.00 0.00 C ATOM 933 C ALA A 61 -4.201 14.523 9.279 1.00 0.00 C ATOM 934 O ALA A 61 -3.773 14.588 10.432 1.00 0.00 O ATOM 935 CB ALA A 61 -5.209 12.265 9.657 1.00 0.00 C ATOM 0 H ALA A 61 -2.755 12.077 8.813 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.218 13.355 7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.102 12.753 10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.489 11.329 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.521 12.059 10.477 1.00 0.00 H new ATOM 941 N ARG A 62 -4.402 15.595 8.520 1.00 0.00 N ATOM 942 CA ARG A 62 -4.123 16.940 9.009 1.00 0.00 C ATOM 943 C ARG A 62 -2.758 16.999 9.689 1.00 0.00 C ATOM 944 O ARG A 62 -2.620 17.548 10.781 1.00 0.00 O ATOM 945 CB ARG A 62 -5.211 17.387 9.987 1.00 0.00 C ATOM 946 CG ARG A 62 -5.442 18.889 9.996 1.00 0.00 C ATOM 947 CD ARG A 62 -6.449 19.304 8.935 1.00 0.00 C ATOM 948 NE ARG A 62 -6.232 20.675 8.481 1.00 0.00 N ATOM 949 CZ ARG A 62 -7.044 21.309 7.643 1.00 0.00 C ATOM 950 NH1 ARG A 62 -8.122 20.698 7.169 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.780 22.557 7.277 1.00 0.00 N ATOM 0 H ARG A 62 -4.757 15.559 7.564 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.114 17.615 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.145 16.886 9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.940 17.064 10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.799 19.197 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.497 19.405 9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.380 18.625 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.458 19.211 9.337 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.412 21.173 8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.329 19.739 7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.744 21.187 6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.952 23.031 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.405 23.043 6.633 1.00 0.00 H new ATOM 965 N GLY A 63 -1.751 16.428 9.034 1.00 0.00 N ATOM 966 CA GLY A 63 -0.411 16.427 9.590 1.00 0.00 C ATOM 967 C GLY A 63 -0.034 15.086 10.190 1.00 0.00 C ATOM 968 O GLY A 63 1.048 14.561 9.924 1.00 0.00 O ATOM 0 H GLY A 63 -1.840 15.966 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.304 16.686 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.338 17.198 10.357 1.00 0.00 H new ATOM 972 N LYS A 64 -0.926 14.531 11.002 1.00 0.00 N ATOM 973 CA LYS A 64 -0.683 13.244 11.643 1.00 0.00 C ATOM 974 C LYS A 64 -0.721 12.112 10.621 1.00 0.00 C ATOM 975 O LYS A 64 -0.991 12.337 9.441 1.00 0.00 O ATOM 976 CB LYS A 64 -1.721 12.992 12.738 1.00 0.00 C ATOM 977 CG LYS A 64 -1.444 13.749 14.025 1.00 0.00 C ATOM 978 CD LYS A 64 -0.276 13.145 14.787 1.00 0.00 C ATOM 979 CE LYS A 64 -0.740 12.066 15.754 1.00 0.00 C ATOM 980 NZ LYS A 64 -1.071 10.797 15.050 1.00 0.00 N ATOM 0 H LYS A 64 -1.826 14.953 11.232 1.00 0.00 H new ATOM 0 HA LYS A 64 0.310 13.272 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.706 13.274 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.756 11.924 12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.229 14.793 13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.334 13.738 14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.439 12.721 14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.245 13.928 15.337 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.040 11.879 16.492 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.616 12.418 16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.888 9.992 15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.075 10.803 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.482 10.709 14.198 1.00 0.00 H new ATOM 994 N VAL A 65 -0.451 10.895 11.082 1.00 0.00 N ATOM 995 CA VAL A 65 -0.457 9.728 10.208 1.00 0.00 C ATOM 996 C VAL A 65 -1.270 8.591 10.817 1.00 0.00 C ATOM 997 O VAL A 65 -0.856 7.974 11.799 1.00 0.00 O ATOM 998 CB VAL A 65 0.973 9.230 9.927 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.943 7.992 9.043 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.805 10.331 9.289 1.00 0.00 C ATOM 0 H VAL A 65 -0.225 10.692 12.056 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.916 10.037 9.269 1.00 0.00 H new ATOM 0 HB VAL A 65 1.438 8.959 10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.962 7.654 8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.385 7.201 9.544 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.460 8.233 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.812 9.961 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.346 10.636 8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.854 11.186 9.963 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.428 8.317 10.227 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.300 7.252 10.708 1.00 0.00 C ATOM 1012 C LYS A 66 -3.034 5.951 9.959 1.00 0.00 C ATOM 1013 O LYS A 66 -2.386 5.947 8.912 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.768 7.655 10.548 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.166 8.852 11.394 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.550 8.436 12.804 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.689 9.640 13.722 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.518 9.269 15.154 1.00 0.00 N ATOM 0 H LYS A 66 -2.785 8.818 9.414 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.087 7.092 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.962 7.881 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.400 6.807 10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.339 9.560 11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.004 9.368 10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.491 7.886 12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.795 7.758 13.203 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.947 10.391 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.670 10.094 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.620 10.117 15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.242 8.571 15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.573 8.859 15.296 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.541 4.847 10.500 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.360 3.539 9.881 1.00 0.00 C ATOM 1034 C HIS A 67 -4.675 2.766 9.849 1.00 0.00 C ATOM 1035 O HIS A 67 -5.272 2.495 10.891 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.301 2.736 10.637 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.046 3.507 10.909 1.00 0.00 C ATOM 1038 ND1 HIS A 67 0.126 3.309 10.210 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.784 4.482 11.811 1.00 0.00 C ATOM 1040 CE1 HIS A 67 1.054 4.128 10.671 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.527 4.851 11.642 1.00 0.00 N ATOM 0 H HIS A 67 -4.080 4.833 11.366 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.025 3.693 8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.721 2.396 11.584 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.053 1.845 10.061 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.478 4.893 12.530 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.071 4.195 10.314 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.015 5.568 12.179 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.120 2.416 8.647 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.366 1.676 8.480 1.00 0.00 C ATOM 1052 C CYS A 68 -6.089 0.229 8.084 1.00 0.00 C ATOM 1053 O CYS A 68 -5.694 -0.051 6.953 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.244 2.347 7.423 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.375 3.593 8.086 1.00 0.00 S ATOM 0 H CYS A 68 -4.637 2.632 7.775 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.893 1.679 9.434 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.602 2.815 6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.825 1.581 6.909 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.073 4.105 7.116 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.299 -0.686 9.025 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.069 -2.104 8.776 1.00 0.00 C ATOM 1063 C ARG A 69 -7.072 -2.648 7.762 1.00 0.00 C ATOM 1064 O ARG A 69 -8.238 -2.251 7.754 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.168 -2.896 10.081 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.346 -4.175 10.081 1.00 0.00 C ATOM 1067 CD ARG A 69 -6.127 -5.339 9.493 1.00 0.00 C ATOM 1068 NE ARG A 69 -7.458 -5.459 10.082 1.00 0.00 N ATOM 1069 CZ ARG A 69 -7.678 -5.888 11.319 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -6.660 -6.236 12.095 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -8.918 -5.969 11.784 1.00 0.00 N ATOM 0 H ARG A 69 -6.628 -0.471 9.966 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.065 -2.216 8.366 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.840 -2.263 10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.213 -3.146 10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.432 -4.022 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.045 -4.415 11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.218 -5.206 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.574 -6.265 9.655 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.263 -5.199 9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.705 -6.174 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.832 -6.565 13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.704 -5.702 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.086 -6.299 12.735 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.610 -3.555 6.909 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.467 -4.152 5.892 1.00 0.00 C ATOM 1087 C ILE A 70 -7.545 -5.666 6.059 1.00 0.00 C ATOM 1088 O ILE A 70 -6.543 -6.323 6.337 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.965 -3.829 4.472 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.839 -2.316 4.284 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.903 -4.421 3.431 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -6.063 -1.923 3.047 1.00 0.00 C ATOM 0 H ILE A 70 -5.648 -3.893 6.901 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.460 -3.722 6.024 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.980 -4.276 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.837 -1.880 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.351 -1.889 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.535 -4.184 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.947 -5.503 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.900 -4.000 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.014 -0.836 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.053 -2.329 3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.562 -2.320 2.163 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.744 -6.214 5.885 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.953 -7.651 6.015 1.00 0.00 C ATOM 1106 C ASN A 71 -8.962 -8.326 4.647 1.00 0.00 C ATOM 1107 O ASN A 71 -8.874 -7.660 3.615 1.00 0.00 O ATOM 1108 CB ASN A 71 -10.270 -7.932 6.743 1.00 0.00 C ATOM 1109 CG ASN A 71 -10.347 -9.351 7.272 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -9.341 -10.058 7.332 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -11.545 -9.774 7.658 1.00 0.00 N ATOM 0 H ASN A 71 -9.585 -5.685 5.654 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.128 -8.061 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.381 -7.232 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.103 -7.755 6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.659 -10.720 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.351 -9.153 7.590 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.069 -9.650 4.647 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.088 -10.415 3.406 1.00 0.00 C ATOM 1120 C ARG A 72 -10.235 -11.422 3.405 1.00 0.00 C ATOM 1121 O ARG A 72 -10.228 -12.386 4.170 1.00 0.00 O ATOM 1122 CB ARG A 72 -7.757 -11.143 3.209 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.653 -11.875 1.881 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.085 -10.976 0.793 1.00 0.00 C ATOM 1125 NE ARG A 72 -5.625 -11.010 0.763 1.00 0.00 N ATOM 1126 CZ ARG A 72 -4.922 -12.090 0.441 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.541 -13.218 0.124 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -3.596 -12.042 0.436 1.00 0.00 N ATOM 0 H ARG A 72 -9.144 -10.216 5.492 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.238 -9.718 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.944 -10.421 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.620 -11.858 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.018 -12.753 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.639 -12.231 1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.475 -11.288 -0.176 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.421 -9.952 0.957 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.118 -10.158 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.560 -13.259 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.998 -14.046 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.116 -11.176 0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.057 -12.872 0.189 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.219 -11.189 2.543 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.373 -12.075 2.443 1.00 0.00 C ATOM 1144 C ASP A 73 -12.094 -13.223 1.478 1.00 0.00 C ATOM 1145 O ASP A 73 -12.993 -13.697 0.784 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.605 -11.294 1.983 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.900 -12.011 2.308 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.327 -11.963 3.481 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.487 -12.620 1.389 1.00 0.00 O ATOM 0 H ASP A 73 -11.241 -10.394 1.904 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.566 -12.493 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.608 -10.313 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.545 -11.128 0.907 1.00 0.00 H new ATOM 1154 N GLY A 74 -10.841 -13.666 1.438 1.00 0.00 N ATOM 1155 CA GLY A 74 -10.466 -14.754 0.554 1.00 0.00 C ATOM 1156 C GLY A 74 -10.616 -14.390 -0.909 1.00 0.00 C ATOM 1157 O GLY A 74 -9.626 -14.147 -1.600 1.00 0.00 O ATOM 0 H GLY A 74 -10.079 -13.291 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.432 -15.038 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.083 -15.625 0.773 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.856 -14.353 -1.384 1.00 0.00 N ATOM 1162 CA ARG A 75 -12.132 -14.018 -2.776 1.00 0.00 C ATOM 1163 C ARG A 75 -11.983 -12.519 -3.015 1.00 0.00 C ATOM 1164 O ARG A 75 -11.648 -12.085 -4.117 1.00 0.00 O ATOM 1165 CB ARG A 75 -13.541 -14.470 -3.162 1.00 0.00 C ATOM 1166 CG ARG A 75 -14.640 -13.782 -2.368 1.00 0.00 C ATOM 1167 CD ARG A 75 -15.917 -14.609 -2.352 1.00 0.00 C ATOM 1168 NE ARG A 75 -17.074 -13.820 -1.937 1.00 0.00 N ATOM 1169 CZ ARG A 75 -18.176 -14.350 -1.419 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -18.271 -15.663 -1.254 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -19.187 -13.567 -1.065 1.00 0.00 N ATOM 0 H ARG A 75 -12.686 -14.551 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.407 -14.541 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.697 -14.278 -4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.620 -15.547 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.301 -13.614 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.845 -12.803 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.096 -15.020 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.793 -15.455 -1.675 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.033 -12.807 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.496 -16.268 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.119 -16.067 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.118 -12.557 -1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.033 -13.975 -0.667 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.236 -11.731 -1.974 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.131 -10.280 -2.070 1.00 0.00 C ATOM 1187 C HIS A 76 -11.533 -9.693 -0.795 1.00 0.00 C ATOM 1188 O HIS A 76 -11.258 -10.415 0.163 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.505 -9.664 -2.334 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.226 -10.282 -3.492 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.544 -10.685 -3.430 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -13.807 -10.563 -4.748 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -15.903 -11.189 -4.597 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -14.867 -11.127 -5.414 1.00 0.00 N ATOM 0 H HIS A 76 -12.515 -12.074 -1.055 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.469 -10.043 -2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.118 -9.766 -1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.386 -8.596 -2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.822 -10.378 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.878 -11.584 -4.842 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -14.856 -11.446 -6.383 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.335 -8.379 -0.790 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.768 -7.695 0.366 1.00 0.00 C ATOM 1205 C PHE A 77 -11.839 -6.897 1.105 1.00 0.00 C ATOM 1206 O PHE A 77 -12.954 -6.727 0.611 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.633 -6.766 -0.069 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.541 -7.467 -0.825 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.675 -7.729 -2.179 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.380 -7.864 -0.181 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.671 -8.374 -2.877 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.373 -8.509 -0.874 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.519 -8.765 -2.223 1.00 0.00 C ATOM 0 H PHE A 77 -11.559 -7.766 -1.574 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.370 -8.450 1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.043 -5.972 -0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.205 -6.290 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.574 -7.426 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.261 -7.667 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.787 -8.572 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.473 -8.813 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.734 -9.270 -2.766 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.492 -6.411 2.292 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.422 -5.630 3.100 1.00 0.00 C ATOM 1225 C VAL A 78 -11.701 -4.509 3.838 1.00 0.00 C ATOM 1226 O VAL A 78 -10.922 -4.757 4.760 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.156 -6.516 4.125 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.079 -5.676 4.993 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.931 -7.618 3.418 1.00 0.00 C ATOM 0 H VAL A 78 -10.574 -6.544 2.716 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.152 -5.199 2.415 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.414 -6.983 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.589 -6.319 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.494 -4.928 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.817 -5.178 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.443 -8.234 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.664 -7.173 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.241 -8.237 2.844 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.966 -3.273 3.429 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.342 -2.110 4.052 1.00 0.00 C ATOM 1241 C LEU A 79 -11.813 -1.948 5.494 1.00 0.00 C ATOM 1242 O LEU A 79 -11.105 -1.387 6.329 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.662 -0.846 3.254 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.860 0.402 3.623 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -10.792 1.361 2.445 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.471 1.089 4.836 1.00 0.00 C ATOM 0 H LEU A 79 -12.609 -3.050 2.669 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.263 -2.265 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.501 -1.057 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.722 -0.622 3.376 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.845 0.096 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.217 2.243 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.309 0.868 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.801 1.661 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.887 1.975 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.497 1.381 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.467 0.403 5.683 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.013 -2.445 5.780 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.556 -2.347 7.122 1.00 0.00 C ATOM 1260 C GLY A 80 -15.072 -2.353 7.135 1.00 0.00 C ATOM 1261 O GLY A 80 -15.691 -2.829 8.087 1.00 0.00 O ATOM 0 H GLY A 80 -13.618 -2.914 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.187 -3.179 7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.195 -1.432 7.591 1.00 0.00 H new ATOM 1265 N THR A 81 -15.674 -1.821 6.076 1.00 0.00 N ATOM 1266 CA THR A 81 -17.126 -1.764 5.970 1.00 0.00 C ATOM 1267 C THR A 81 -17.632 -2.667 4.851 1.00 0.00 C ATOM 1268 O THR A 81 -16.860 -3.405 4.239 1.00 0.00 O ATOM 1269 CB THR A 81 -17.615 -0.326 5.714 1.00 0.00 C ATOM 1270 OG1 THR A 81 -19.016 -0.228 5.993 1.00 0.00 O ATOM 1271 CG2 THR A 81 -17.349 0.088 4.275 1.00 0.00 C ATOM 0 H THR A 81 -15.177 -1.423 5.279 1.00 0.00 H new ATOM 0 HA THR A 81 -17.526 -2.112 6.923 1.00 0.00 H new ATOM 0 HB THR A 81 -17.066 0.344 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.319 0.690 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.703 1.107 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.279 0.041 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.875 -0.587 3.599 1.00 0.00 H new ATOM 1279 N SER A 82 -18.933 -2.604 4.588 1.00 0.00 N ATOM 1280 CA SER A 82 -19.543 -3.419 3.544 1.00 0.00 C ATOM 1281 C SER A 82 -19.135 -2.923 2.160 1.00 0.00 C ATOM 1282 O SER A 82 -19.963 -2.423 1.399 1.00 0.00 O ATOM 1283 CB SER A 82 -21.067 -3.399 3.676 1.00 0.00 C ATOM 1284 OG SER A 82 -21.483 -4.031 4.875 1.00 0.00 O ATOM 0 H SER A 82 -19.586 -1.997 5.084 1.00 0.00 H new ATOM 0 HA SER A 82 -19.189 -4.443 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.423 -2.369 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.516 -3.903 2.820 1.00 0.00 H new ATOM 0 HG SER A 82 -22.461 -4.004 4.937 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.853 -3.065 1.841 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.334 -2.634 0.549 1.00 0.00 C ATOM 1292 C ALA A 83 -16.432 -3.700 -0.064 1.00 0.00 C ATOM 1293 O ALA A 83 -15.232 -3.743 0.209 1.00 0.00 O ATOM 1294 CB ALA A 83 -16.579 -1.321 0.695 1.00 0.00 C ATOM 0 H ALA A 83 -17.154 -3.476 2.460 1.00 0.00 H new ATOM 0 HA ALA A 83 -18.180 -2.482 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.197 -1.011 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.252 -0.555 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.747 -1.455 1.386 1.00 0.00 H new ATOM 1300 N TYR A 84 -17.017 -4.559 -0.891 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.266 -5.627 -1.540 1.00 0.00 C ATOM 1302 C TYR A 84 -15.615 -5.131 -2.828 1.00 0.00 C ATOM 1303 O TYR A 84 -16.269 -4.514 -3.669 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.184 -6.813 -1.843 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.383 -7.741 -0.666 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.448 -7.246 0.631 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.506 -9.112 -0.850 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.629 -8.090 1.709 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.689 -9.964 0.222 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.749 -9.448 1.500 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.931 -10.292 2.571 1.00 0.00 O ATOM 0 H TYR A 84 -18.009 -4.537 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.479 -5.950 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.155 -6.437 -2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.768 -7.380 -2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.355 -6.183 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.458 -9.519 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.676 -7.689 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.785 -11.028 0.061 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.998 -11.216 2.252 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.324 -5.407 -2.975 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.583 -4.989 -4.159 1.00 0.00 C ATOM 1323 C PHE A 85 -12.710 -6.126 -4.684 1.00 0.00 C ATOM 1324 O PHE A 85 -11.781 -6.569 -4.010 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.715 -3.770 -3.841 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.506 -2.565 -3.417 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.044 -1.706 -4.362 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.712 -2.293 -2.074 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.772 -0.597 -3.974 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.439 -1.185 -1.681 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.971 -0.336 -2.633 1.00 0.00 C ATOM 0 H PHE A 85 -13.769 -5.918 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.304 -4.721 -4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.013 -4.031 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.124 -3.516 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.893 -1.905 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.300 -2.954 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.185 0.066 -4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.591 -0.983 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.541 0.529 -2.329 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.017 -6.592 -5.890 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.262 -7.678 -6.504 1.00 0.00 C ATOM 1343 C GLU A 86 -10.767 -7.373 -6.495 1.00 0.00 C ATOM 1344 O GLU A 86 -9.938 -8.280 -6.410 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.737 -7.911 -7.939 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.037 -9.068 -8.632 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.700 -10.403 -8.352 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -13.685 -10.733 -9.045 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -12.233 -11.118 -7.441 1.00 0.00 O ATOM 0 H GLU A 86 -13.783 -6.235 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.435 -8.582 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.811 -8.099 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.577 -7.001 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.027 -8.890 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.998 -9.107 -8.306 1.00 0.00 H new ATOM 1356 N SER A 87 -10.429 -6.090 -6.584 1.00 0.00 N ATOM 1357 CA SER A 87 -9.035 -5.665 -6.590 1.00 0.00 C ATOM 1358 C SER A 87 -8.863 -4.354 -5.830 1.00 0.00 C ATOM 1359 O SER A 87 -9.596 -3.390 -6.057 1.00 0.00 O ATOM 1360 CB SER A 87 -8.535 -5.504 -8.027 1.00 0.00 C ATOM 1361 OG SER A 87 -9.437 -4.726 -8.796 1.00 0.00 O ATOM 0 H SER A 87 -11.102 -5.327 -6.653 1.00 0.00 H new ATOM 0 HA SER A 87 -8.445 -6.434 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.553 -5.031 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.414 -6.485 -8.485 1.00 0.00 H new ATOM 0 HG SER A 87 -9.775 -3.985 -8.252 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.889 -4.325 -4.927 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.619 -3.132 -4.131 1.00 0.00 C ATOM 1369 C LEU A 88 -7.739 -1.871 -4.982 1.00 0.00 C ATOM 1370 O LEU A 88 -8.115 -0.809 -4.487 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.222 -3.212 -3.513 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.009 -4.318 -2.478 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.533 -4.672 -2.372 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.556 -3.893 -1.124 1.00 0.00 C ATOM 0 H LEU A 88 -7.273 -5.113 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.360 -3.082 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.498 -3.349 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.999 -2.254 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.552 -5.205 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.400 -5.460 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.172 -5.019 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.968 -3.790 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.396 -4.692 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.041 -2.992 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.623 -3.690 -1.210 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.419 -1.997 -6.266 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.494 -0.869 -7.187 1.00 0.00 C ATOM 1388 C VAL A 89 -8.859 -0.194 -7.117 1.00 0.00 C ATOM 1389 O VAL A 89 -8.976 0.945 -6.666 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.225 -1.311 -8.638 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.330 -0.125 -9.585 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.860 -1.972 -8.748 1.00 0.00 C ATOM 0 H VAL A 89 -7.105 -2.869 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.725 -0.159 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.982 -2.042 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.137 -0.456 -10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.332 0.301 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.597 0.631 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.686 -2.278 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.088 -1.265 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.826 -2.847 -8.099 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.889 -0.904 -7.568 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.246 -0.371 -7.557 1.00 0.00 C ATOM 1404 C GLU A 90 -11.524 0.384 -6.261 1.00 0.00 C ATOM 1405 O GLU A 90 -11.938 1.544 -6.281 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.263 -1.502 -7.729 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.454 -1.933 -9.174 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.302 -0.957 -9.966 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -12.764 0.089 -10.387 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -14.502 -1.238 -10.166 1.00 0.00 O ATOM 0 H GLU A 90 -9.809 -1.848 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.342 0.325 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.941 -2.362 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.223 -1.181 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.479 -2.032 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.922 -2.917 -9.197 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.293 -0.281 -5.134 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.519 0.325 -3.827 1.00 0.00 C ATOM 1419 C LEU A 91 -10.939 1.735 -3.774 1.00 0.00 C ATOM 1420 O LEU A 91 -11.648 2.699 -3.484 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.895 -0.536 -2.728 1.00 0.00 C ATOM 1422 CG LEU A 91 -11.115 -0.057 -1.293 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -11.145 -1.238 -0.335 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.032 0.933 -0.889 1.00 0.00 C ATOM 0 H LEU A 91 -10.949 -1.241 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.595 0.387 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.292 -1.547 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.822 -0.598 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.079 0.450 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.302 -0.878 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.957 -1.910 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.197 -1.773 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.205 1.263 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.056 0.452 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.058 1.794 -1.557 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.645 1.849 -4.058 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.971 3.142 -4.046 1.00 0.00 C ATOM 1438 C VAL A 92 -9.789 4.195 -4.785 1.00 0.00 C ATOM 1439 O VAL A 92 -9.933 5.324 -4.316 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.573 3.051 -4.687 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.912 4.420 -4.722 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.707 2.051 -3.936 1.00 0.00 C ATOM 0 H VAL A 92 -9.043 1.062 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.866 3.435 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.685 2.701 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.926 4.336 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.525 5.105 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.811 4.801 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.723 1.999 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.601 2.369 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.176 1.067 -3.968 1.00 0.00 H new ATOM 1452 N SER A 93 -10.322 3.818 -5.942 1.00 0.00 N ATOM 1453 CA SER A 93 -11.124 4.732 -6.748 1.00 0.00 C ATOM 1454 C SER A 93 -12.489 4.966 -6.108 1.00 0.00 C ATOM 1455 O SER A 93 -12.818 6.085 -5.714 1.00 0.00 O ATOM 1456 CB SER A 93 -11.300 4.177 -8.163 1.00 0.00 C ATOM 1457 OG SER A 93 -12.262 4.924 -8.887 1.00 0.00 O ATOM 0 H SER A 93 -10.213 2.886 -6.343 1.00 0.00 H new ATOM 0 HA SER A 93 -10.599 5.686 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.345 4.202 -8.688 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.609 3.133 -8.112 1.00 0.00 H new ATOM 0 HG SER A 93 -12.355 4.551 -9.788 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.278 3.903 -6.007 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.609 3.991 -5.417 1.00 0.00 C ATOM 1465 C TYR A 94 -14.585 4.832 -4.144 1.00 0.00 C ATOM 1466 O TYR A 94 -15.604 5.390 -3.737 1.00 0.00 O ATOM 1467 CB TYR A 94 -15.147 2.593 -5.108 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.473 2.602 -4.382 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.540 2.875 -3.021 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.658 2.336 -5.056 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.749 2.883 -2.353 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.872 2.343 -4.396 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.912 2.617 -3.045 1.00 0.00 C ATOM 1474 OH TYR A 94 -20.119 2.624 -2.384 1.00 0.00 O ATOM 0 H TYR A 94 -13.019 2.969 -6.326 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.268 4.474 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -15.257 2.041 -6.041 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.415 2.056 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.631 3.084 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.630 2.120 -6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.783 3.096 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.784 2.135 -4.935 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.839 2.419 -3.016 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.415 4.918 -3.522 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.257 5.689 -2.294 1.00 0.00 C ATOM 1486 C TYR A 95 -12.902 7.140 -2.604 1.00 0.00 C ATOM 1487 O TYR A 95 -13.401 8.063 -1.961 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.176 5.065 -1.411 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.707 4.032 -0.442 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.217 2.823 -0.896 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.697 4.266 0.927 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.704 1.877 -0.015 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -13.181 3.325 1.816 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.683 2.133 1.340 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.166 1.192 2.221 1.00 0.00 O ATOM 0 H TYR A 95 -12.562 4.464 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.207 5.673 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.422 4.601 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.677 5.855 -0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.233 2.619 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.304 5.199 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.099 0.942 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -13.166 3.523 2.878 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.036 0.296 1.846 1.00 0.00 H new ATOM 1505 N GLU A 96 -12.037 7.332 -3.595 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.614 8.671 -3.990 1.00 0.00 C ATOM 1507 C GLU A 96 -12.755 9.671 -3.831 1.00 0.00 C ATOM 1508 O GLU A 96 -12.533 10.840 -3.514 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.123 8.667 -5.439 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.666 8.263 -5.587 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.722 9.448 -5.512 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.187 10.590 -5.710 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.519 9.233 -5.254 1.00 0.00 O ATOM 0 H GLU A 96 -11.616 6.579 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.795 8.974 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.742 7.984 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.260 9.662 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.410 7.549 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.529 7.754 -6.541 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.979 9.204 -4.053 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.157 10.055 -3.933 1.00 0.00 C ATOM 1522 C LYS A 97 -15.595 10.178 -2.477 1.00 0.00 C ATOM 1523 O LYS A 97 -15.758 11.283 -1.959 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.305 9.494 -4.776 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.190 9.822 -6.255 1.00 0.00 C ATOM 1526 CD LYS A 97 -14.949 9.198 -6.870 1.00 0.00 C ATOM 1527 CE LYS A 97 -13.762 10.148 -6.816 1.00 0.00 C ATOM 1528 NZ LYS A 97 -13.901 11.265 -7.791 1.00 0.00 N ATOM 0 H LYS A 97 -14.181 8.240 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.895 11.047 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.339 8.411 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.249 9.887 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.076 9.463 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.158 10.903 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.704 8.277 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.152 8.926 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.668 10.554 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.845 9.596 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.976 11.717 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.249 10.893 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.575 11.966 -7.422 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.781 9.036 -1.822 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.197 9.017 -0.424 1.00 0.00 C ATOM 1544 C HIS A 98 -15.000 9.206 0.502 1.00 0.00 C ATOM 1545 O HIS A 98 -13.954 8.584 0.315 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.906 7.701 -0.099 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.232 7.552 -0.779 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.720 6.339 -1.218 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -19.175 8.471 -1.092 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.905 6.519 -1.773 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.204 7.804 -1.709 1.00 0.00 N ATOM 0 H HIS A 98 -15.650 8.113 -2.236 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.890 9.843 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.263 6.870 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.050 7.632 0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.127 9.531 -0.893 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.524 5.747 -2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -21.061 8.231 -2.061 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.160 10.068 1.501 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.093 10.337 2.457 1.00 0.00 C ATOM 1562 C ALA A 99 -13.462 9.041 2.954 1.00 0.00 C ATOM 1563 O ALA A 99 -14.138 8.021 3.089 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.626 11.150 3.627 1.00 0.00 C ATOM 0 H ALA A 99 -16.019 10.592 1.669 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.321 10.915 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.819 11.344 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.023 12.097 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.419 10.593 4.126 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.162 9.088 3.225 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.438 7.917 3.707 1.00 0.00 C ATOM 1572 C LEU A 100 -11.587 7.769 5.218 1.00 0.00 C ATOM 1573 O LEU A 100 -11.817 6.671 5.725 1.00 0.00 O ATOM 1574 CB LEU A 100 -9.958 8.019 3.336 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.022 7.028 4.029 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.026 5.693 3.301 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -7.611 7.592 4.106 1.00 0.00 C ATOM 0 H LEU A 100 -11.588 9.924 3.119 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.865 7.035 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.864 7.884 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.616 9.029 3.562 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.382 6.866 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.354 5.000 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.036 5.283 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.690 5.838 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.959 6.873 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.240 7.784 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.622 8.523 4.672 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.456 8.882 5.932 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.575 8.877 7.385 1.00 0.00 C ATOM 1591 C TYR A 101 -12.535 9.965 7.857 1.00 0.00 C ATOM 1592 O TYR A 101 -13.556 9.679 8.481 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.203 9.076 8.031 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.271 9.607 9.445 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.199 9.110 10.351 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.406 10.606 9.875 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -11.265 9.593 11.644 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.463 11.094 11.166 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.395 10.585 12.046 1.00 0.00 C ATOM 1600 OH TYR A 101 -10.456 11.068 13.333 1.00 0.00 O ATOM 0 H TYR A 101 -11.267 9.799 5.528 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.975 7.909 7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.671 8.125 8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.620 9.765 7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.881 8.333 10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.676 11.008 9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.993 9.196 12.336 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.782 11.869 11.484 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.775 11.762 13.455 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.198 11.214 7.553 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.028 12.346 7.946 1.00 0.00 C ATOM 1612 C ARG A 102 -12.594 13.616 7.220 1.00 0.00 C ATOM 1613 O ARG A 102 -11.401 13.873 7.054 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.954 12.559 9.459 1.00 0.00 C ATOM 1615 CG ARG A 102 -14.150 13.305 10.028 1.00 0.00 C ATOM 1616 CD ARG A 102 -15.282 12.355 10.383 1.00 0.00 C ATOM 1617 NE ARG A 102 -16.383 13.041 11.053 1.00 0.00 N ATOM 1618 CZ ARG A 102 -17.398 12.410 11.634 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -17.450 11.085 11.627 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -18.363 13.105 12.223 1.00 0.00 N ATOM 0 H ARG A 102 -11.356 11.467 7.036 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.058 12.123 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.874 11.589 9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.045 13.112 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.846 13.858 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.503 14.037 9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.652 11.877 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.902 11.563 11.029 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.373 14.061 11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.710 10.548 11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.230 10.603 12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.326 14.124 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.142 12.620 12.669 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.570 14.408 6.789 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.290 15.652 6.082 1.00 0.00 C ATOM 1636 C LYS A 103 -12.046 15.515 5.210 1.00 0.00 C ATOM 1637 O LYS A 103 -11.275 16.462 5.058 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.103 16.798 7.079 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.377 17.183 7.811 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.381 17.835 6.876 1.00 0.00 C ATOM 1641 CE LYS A 103 -16.557 18.422 7.643 1.00 0.00 C ATOM 1642 NZ LYS A 103 -16.174 19.655 8.385 1.00 0.00 N ATOM 0 H LYS A 103 -14.562 14.210 6.917 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.141 15.874 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.346 16.512 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.721 17.670 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.821 16.296 8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.138 17.868 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.889 18.622 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.744 17.098 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.365 18.652 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.940 17.680 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.031 20.136 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.575 19.400 9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.648 20.291 7.753 1.00 0.00 H new ATOM 1656 N MET A 104 -11.859 14.330 4.637 1.00 0.00 N ATOM 1657 CA MET A 104 -10.709 14.070 3.778 1.00 0.00 C ATOM 1658 C MET A 104 -10.929 12.814 2.941 1.00 0.00 C ATOM 1659 O MET A 104 -11.552 11.855 3.397 1.00 0.00 O ATOM 1660 CB MET A 104 -9.440 13.922 4.619 1.00 0.00 C ATOM 1661 CG MET A 104 -8.163 13.909 3.794 1.00 0.00 C ATOM 1662 SD MET A 104 -6.792 13.111 4.650 1.00 0.00 S ATOM 1663 CE MET A 104 -6.751 11.525 3.818 1.00 0.00 C ATOM 0 H MET A 104 -12.488 13.535 4.752 1.00 0.00 H new ATOM 0 HA MET A 104 -10.591 14.918 3.104 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.391 14.741 5.336 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.501 12.998 5.194 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.349 13.392 2.852 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.885 14.933 3.546 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.951 10.915 4.238 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.706 11.017 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.571 11.677 2.754 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.414 12.827 1.716 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.556 11.689 0.816 1.00 0.00 C ATOM 1675 C ARG A 105 -9.339 11.562 -0.095 1.00 0.00 C ATOM 1676 O ARG A 105 -8.739 12.562 -0.492 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.824 11.833 -0.027 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.658 12.754 -1.225 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.992 13.328 -1.676 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.824 14.535 -2.481 1.00 0.00 N ATOM 1681 CZ ARG A 105 -13.835 15.194 -3.037 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.079 14.765 -2.876 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -13.601 16.284 -3.757 1.00 0.00 N ATOM 0 H ARG A 105 -9.895 13.613 1.324 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.631 10.786 1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.131 10.847 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.628 12.212 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.979 13.567 -0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.201 12.204 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.532 12.579 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.602 13.557 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.879 14.891 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.262 13.927 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.853 15.273 -3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.645 16.616 -3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.377 16.790 -4.184 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.979 10.326 -0.424 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.832 10.067 -1.288 1.00 0.00 C ATOM 1699 C LEU A 106 -7.759 11.091 -2.416 1.00 0.00 C ATOM 1700 O LEU A 106 -8.634 11.141 -3.280 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.916 8.655 -1.870 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.210 7.534 -0.872 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.024 6.174 -1.527 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.319 7.664 0.354 1.00 0.00 C ATOM 0 H LEU A 106 -9.465 9.487 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.927 10.152 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.691 8.645 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.973 8.432 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.248 7.621 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.237 5.389 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.705 6.081 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.996 6.076 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.542 6.858 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.273 7.603 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.502 8.624 0.837 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.708 11.904 -2.402 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.519 12.926 -3.425 1.00 0.00 C ATOM 1718 C ARG A 107 -5.114 12.851 -4.016 1.00 0.00 C ATOM 1719 O ARG A 107 -4.911 13.134 -5.197 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.763 14.317 -2.837 1.00 0.00 C ATOM 1721 CG ARG A 107 -8.207 14.779 -2.944 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.479 15.449 -4.282 1.00 0.00 C ATOM 1723 NE ARG A 107 -9.609 16.371 -4.212 1.00 0.00 N ATOM 1724 CZ ARG A 107 -10.073 17.046 -5.258 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.506 16.902 -6.448 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -11.105 17.867 -5.115 1.00 0.00 N ATOM 0 H ARG A 107 -5.974 11.875 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.240 12.744 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.468 14.315 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.122 15.036 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.874 13.925 -2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.428 15.475 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.589 15.990 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.679 14.687 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.067 16.504 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.712 16.272 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.864 17.421 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.543 17.981 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.460 18.385 -5.919 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.149 12.468 -3.187 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.763 12.359 -3.627 1.00 0.00 C ATOM 1742 C TYR A 108 -2.150 11.038 -3.171 1.00 0.00 C ATOM 1743 O TYR A 108 -1.632 10.915 -2.061 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.941 13.530 -3.086 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.657 14.859 -3.163 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -3.001 15.415 -4.389 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.990 15.559 -2.009 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.655 16.630 -4.463 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.645 16.773 -2.075 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.974 17.305 -3.304 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.627 18.515 -3.374 1.00 0.00 O ATOM 0 H TYR A 108 -4.301 12.228 -2.207 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.750 12.388 -4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.677 13.329 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.008 13.597 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.753 14.889 -5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.732 15.147 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.915 17.049 -5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.898 17.303 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.778 18.858 -2.469 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.209 10.026 -4.048 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.663 8.696 -3.761 1.00 0.00 C ATOM 1763 C PRO A 109 -0.139 8.693 -3.710 1.00 0.00 C ATOM 1764 O PRO A 109 0.526 8.550 -4.736 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.161 7.847 -4.933 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.373 8.819 -6.041 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.812 10.101 -5.390 1.00 0.00 C ATOM 0 HA PRO A 109 -1.980 8.328 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.431 7.086 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.085 7.327 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.456 8.966 -6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.128 8.457 -6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.459 10.973 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.898 10.174 -5.339 1.00 0.00 H new ATOM 1775 N VAL A 110 0.409 8.851 -2.509 1.00 0.00 N ATOM 1776 CA VAL A 110 1.855 8.865 -2.325 1.00 0.00 C ATOM 1777 C VAL A 110 2.538 7.871 -3.258 1.00 0.00 C ATOM 1778 O VAL A 110 2.120 6.718 -3.369 1.00 0.00 O ATOM 1779 CB VAL A 110 2.239 8.533 -0.871 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.751 8.527 -0.705 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.594 9.522 0.089 1.00 0.00 C ATOM 0 H VAL A 110 -0.127 8.971 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 110 2.194 9.874 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 110 1.868 7.536 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.003 8.290 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.187 7.777 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.149 9.509 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.876 9.273 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.934 10.531 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.510 9.472 -0.011 1.00 0.00 H new ATOM 1791 N THR A 111 3.591 8.326 -3.930 1.00 0.00 N ATOM 1792 CA THR A 111 4.332 7.478 -4.855 1.00 0.00 C ATOM 1793 C THR A 111 5.826 7.510 -4.554 1.00 0.00 C ATOM 1794 O THR A 111 6.342 8.450 -3.949 1.00 0.00 O ATOM 1795 CB THR A 111 4.105 7.908 -6.316 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.046 9.336 -6.403 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.819 7.308 -6.863 1.00 0.00 C ATOM 0 H THR A 111 3.950 9.278 -3.851 1.00 0.00 H new ATOM 0 HA THR A 111 3.959 6.463 -4.721 1.00 0.00 H new ATOM 0 HB THR A 111 4.940 7.542 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.903 9.601 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.680 7.626 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.879 6.220 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.975 7.647 -6.262 1.00 0.00 H new ATOM 1805 N PRO A 112 6.541 6.460 -4.985 1.00 0.00 N ATOM 1806 CA PRO A 112 7.987 6.346 -4.774 1.00 0.00 C ATOM 1807 C PRO A 112 8.775 7.349 -5.608 1.00 0.00 C ATOM 1808 O PRO A 112 9.990 7.477 -5.455 1.00 0.00 O ATOM 1809 CB PRO A 112 8.299 4.916 -5.222 1.00 0.00 C ATOM 1810 CG PRO A 112 7.219 4.578 -6.191 1.00 0.00 C ATOM 1811 CD PRO A 112 5.991 5.304 -5.713 1.00 0.00 C ATOM 0 HA PRO A 112 8.266 6.554 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.283 4.853 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.302 4.228 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.489 4.890 -7.200 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.048 3.502 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.359 5.616 -6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.379 4.676 -5.066 1.00 0.00 H new ATOM 1819 N GLU A 113 8.077 8.059 -6.489 1.00 0.00 N ATOM 1820 CA GLU A 113 8.714 9.051 -7.347 1.00 0.00 C ATOM 1821 C GLU A 113 8.566 10.452 -6.761 1.00 0.00 C ATOM 1822 O GLU A 113 9.457 11.291 -6.897 1.00 0.00 O ATOM 1823 CB GLU A 113 8.108 9.007 -8.751 1.00 0.00 C ATOM 1824 CG GLU A 113 6.667 8.526 -8.778 1.00 0.00 C ATOM 1825 CD GLU A 113 5.930 8.961 -10.030 1.00 0.00 C ATOM 1826 OE1 GLU A 113 6.086 10.133 -10.433 1.00 0.00 O ATOM 1827 OE2 GLU A 113 5.197 8.130 -10.606 1.00 0.00 O ATOM 0 H GLU A 113 7.071 7.966 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 113 9.776 8.812 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.158 10.003 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.713 8.352 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 113 6.650 7.438 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.144 8.908 -7.902 1.00 0.00 H new ATOM 1834 N LEU A 114 7.436 10.698 -6.108 1.00 0.00 N ATOM 1835 CA LEU A 114 7.170 11.997 -5.501 1.00 0.00 C ATOM 1836 C LEU A 114 8.155 12.283 -4.372 1.00 0.00 C ATOM 1837 O LEU A 114 8.719 13.375 -4.287 1.00 0.00 O ATOM 1838 CB LEU A 114 5.737 12.049 -4.968 1.00 0.00 C ATOM 1839 CG LEU A 114 5.205 13.437 -4.607 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.687 13.464 -4.688 1.00 0.00 C ATOM 1841 CD2 LEU A 114 5.674 13.844 -3.218 1.00 0.00 C ATOM 0 H LEU A 114 6.689 10.015 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 114 7.294 12.761 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.076 11.612 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.677 11.417 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 114 5.600 14.155 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.326 14.459 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.372 13.218 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.272 12.735 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.286 14.834 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.309 13.124 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.764 13.866 -3.194 1.00 0.00 H new ATOM 1853 N LEU A 115 8.361 11.294 -3.509 1.00 0.00 N ATOM 1854 CA LEU A 115 9.281 11.438 -2.386 1.00 0.00 C ATOM 1855 C LEU A 115 10.617 12.010 -2.847 1.00 0.00 C ATOM 1856 O LEU A 115 11.197 12.869 -2.183 1.00 0.00 O ATOM 1857 CB LEU A 115 9.499 10.086 -1.704 1.00 0.00 C ATOM 1858 CG LEU A 115 8.535 9.744 -0.567 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.678 10.742 0.572 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.101 9.714 -1.075 1.00 0.00 C ATOM 0 H LEU A 115 7.904 10.384 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 115 8.838 12.131 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.429 9.305 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.516 10.059 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 115 8.786 8.753 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.984 10.483 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.699 10.715 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.453 11.744 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.429 9.469 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.838 10.691 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.008 8.960 -1.857 1.00 0.00 H new ATOM 1872 N GLU A 116 11.099 11.529 -3.989 1.00 0.00 N ATOM 1873 CA GLU A 116 12.367 11.994 -4.538 1.00 0.00 C ATOM 1874 C GLU A 116 12.189 13.322 -5.268 1.00 0.00 C ATOM 1875 O GLU A 116 13.128 14.110 -5.382 1.00 0.00 O ATOM 1876 CB GLU A 116 12.948 10.949 -5.493 1.00 0.00 C ATOM 1877 CG GLU A 116 13.419 9.683 -4.796 1.00 0.00 C ATOM 1878 CD GLU A 116 14.793 9.837 -4.174 1.00 0.00 C ATOM 1879 OE1 GLU A 116 15.778 9.958 -4.932 1.00 0.00 O ATOM 1880 OE2 GLU A 116 14.884 9.835 -2.928 1.00 0.00 O ATOM 0 H GLU A 116 10.631 10.818 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 116 13.059 12.144 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.193 10.686 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.786 11.389 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.702 9.411 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.439 8.863 -5.514 1.00 0.00 H new ATOM 1887 N ARG A 117 10.978 13.562 -5.761 1.00 0.00 N ATOM 1888 CA ARG A 117 10.677 14.794 -6.481 1.00 0.00 C ATOM 1889 C ARG A 117 10.542 15.968 -5.516 1.00 0.00 C ATOM 1890 O ARG A 117 10.837 17.111 -5.869 1.00 0.00 O ATOM 1891 CB ARG A 117 9.389 14.634 -7.290 1.00 0.00 C ATOM 1892 CG ARG A 117 8.834 15.947 -7.818 1.00 0.00 C ATOM 1893 CD ARG A 117 7.468 15.758 -8.459 1.00 0.00 C ATOM 1894 NE ARG A 117 7.570 15.434 -9.879 1.00 0.00 N ATOM 1895 CZ ARG A 117 8.075 16.263 -10.787 1.00 0.00 C ATOM 1896 NH1 ARG A 117 8.522 17.457 -10.424 1.00 0.00 N ATOM 1897 NH2 ARG A 117 8.134 15.896 -12.061 1.00 0.00 N ATOM 0 H ARG A 117 10.190 12.920 -5.675 1.00 0.00 H new ATOM 0 HA ARG A 117 11.503 14.999 -7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.578 13.965 -8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.635 14.156 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.758 16.665 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.525 16.367 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.933 14.961 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.881 16.668 -8.336 1.00 0.00 H new ATOM 0 HE ARG A 117 7.236 14.522 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.479 17.742 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.909 18.091 -11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.792 14.978 -12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.522 16.532 -12.758 1.00 0.00 H new ATOM 1911 N TYR A 118 10.095 15.680 -4.299 1.00 0.00 N ATOM 1912 CA TYR A 118 9.918 16.712 -3.285 1.00 0.00 C ATOM 1913 C TYR A 118 11.193 16.896 -2.467 1.00 0.00 C ATOM 1914 O TYR A 118 11.722 18.003 -2.361 1.00 0.00 O ATOM 1915 CB TYR A 118 8.753 16.355 -2.361 1.00 0.00 C ATOM 1916 CG TYR A 118 7.398 16.705 -2.932 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.141 16.577 -4.292 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.375 17.166 -2.113 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.904 16.897 -4.818 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.135 17.486 -2.630 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.904 17.351 -3.983 1.00 0.00 C ATOM 1922 OH TYR A 118 3.671 17.671 -4.503 1.00 0.00 O ATOM 0 H TYR A 118 9.848 14.740 -3.991 1.00 0.00 H new ATOM 0 HA TYR A 118 9.695 17.650 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.783 15.286 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.882 16.873 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.921 16.221 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.552 17.276 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.721 16.792 -5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.350 17.840 -1.978 1.00 0.00 H new ATOM 0 HH TYR A 118 3.080 17.973 -3.782 1.00 0.00 H new ATOM 1932 N SER A 119 11.681 15.802 -1.891 1.00 0.00 N ATOM 1933 CA SER A 119 12.892 15.842 -1.079 1.00 0.00 C ATOM 1934 C SER A 119 14.138 15.776 -1.958 1.00 0.00 C ATOM 1935 O SER A 119 15.123 15.126 -1.611 1.00 0.00 O ATOM 1936 CB SER A 119 12.899 14.685 -0.078 1.00 0.00 C ATOM 1937 OG SER A 119 13.930 14.846 0.880 1.00 0.00 O ATOM 0 H SER A 119 11.257 14.878 -1.971 1.00 0.00 H new ATOM 0 HA SER A 119 12.903 16.785 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.934 14.631 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.035 13.742 -0.608 1.00 0.00 H new ATOM 0 HG SER A 119 14.797 14.882 0.425 1.00 0.00 H new