USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -109:sc= 0.463 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.05 K(o=-0.59,f=-6.2!) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc=-0.00666 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= -0.0567 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0 X(o=-0.22,f=-0.33) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -129:sc= -0.22 (180deg=-0.865) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.95! C(o=-7.1!,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= -0.967 (180deg=-1.54) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 22 THR OG1 : rot 47:sc= 0.381 USER MOD Single : A 25 HIS : no HE2:sc= -2.25 K(o=-2.3,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0553 (180deg=-0.274) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -146:sc= -2.02 (180deg=-4.53!) USER MOD Single : A 37 THR OG1 : rot 120:sc= -0.0572 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 34:sc= -2.22! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= 1.24 (180deg=-0.254) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -6.91! C(o=-6.9!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -110:sc= -3.07! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -4.88! C(o=-5.4!,f=-4.9!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.583 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 111 ASN : amide:sc= -0.584 K(o=-0.58,f=-3.3!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.019 -8.151 12.786 1.00 0.00 N ATOM 180 CA ASN A 10 0.287 -7.401 11.580 1.00 0.00 C ATOM 181 C ASN A 10 1.747 -6.973 11.522 1.00 0.00 C ATOM 182 O ASN A 10 2.593 -7.684 10.979 1.00 0.00 O ATOM 183 CB ASN A 10 -0.612 -6.173 11.503 1.00 0.00 C ATOM 184 CG ASN A 10 -1.140 -5.742 12.858 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.448 -4.798 13.490 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -2.161 -6.244 13.327 1.00 0.00 N flip ATOM 0 HA ASN A 10 0.105 -8.057 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.055 -5.349 11.057 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.452 -6.385 10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.660 -6.966 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.508 -5.938 14.236 1.00 0.00 H new ATOM 193 N ASP A 11 2.016 -5.797 12.080 1.00 0.00 N ATOM 194 CA ASP A 11 3.350 -5.213 12.108 1.00 0.00 C ATOM 195 C ASP A 11 4.446 -6.266 12.041 1.00 0.00 C ATOM 196 O ASP A 11 4.711 -6.978 13.008 1.00 0.00 O ATOM 197 CB ASP A 11 3.520 -4.357 13.358 1.00 0.00 C ATOM 198 CG ASP A 11 2.800 -4.937 14.562 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.180 -6.039 15.008 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.852 -4.290 15.053 1.00 0.00 O ATOM 0 H ASP A 11 1.307 -5.218 12.529 1.00 0.00 H new ATOM 0 HA ASP A 11 3.449 -4.589 11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.581 -4.259 13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.142 -3.354 13.161 1.00 0.00 H new ATOM 205 N LYS A 12 5.069 -6.351 10.875 1.00 0.00 N ATOM 206 CA LYS A 12 6.152 -7.300 10.643 1.00 0.00 C ATOM 207 C LYS A 12 7.508 -6.654 10.907 1.00 0.00 C ATOM 208 O LYS A 12 8.122 -6.081 10.007 1.00 0.00 O ATOM 209 CB LYS A 12 6.099 -7.835 9.211 1.00 0.00 C ATOM 210 CG LYS A 12 5.273 -9.103 9.064 1.00 0.00 C ATOM 211 CD LYS A 12 6.146 -10.351 9.068 1.00 0.00 C ATOM 212 CE LYS A 12 6.892 -10.518 10.383 1.00 0.00 C ATOM 213 NZ LYS A 12 5.964 -10.621 11.541 1.00 0.00 N ATOM 0 H LYS A 12 4.842 -5.770 10.068 1.00 0.00 H new ATOM 0 HA LYS A 12 6.024 -8.131 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.686 -7.065 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.115 -8.031 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.550 -9.162 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.704 -9.060 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.525 -11.229 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.863 -10.295 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.514 -11.412 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.562 -9.671 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.154 -9.846 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.982 -10.557 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.107 -11.533 12.020 1.00 0.00 H new ATOM 227 N TRP A 13 7.962 -6.748 12.149 1.00 0.00 N ATOM 228 CA TRP A 13 9.236 -6.181 12.554 1.00 0.00 C ATOM 229 C TRP A 13 10.390 -7.021 12.023 1.00 0.00 C ATOM 230 O TRP A 13 10.737 -8.050 12.602 1.00 0.00 O ATOM 231 CB TRP A 13 9.282 -6.087 14.078 1.00 0.00 C ATOM 232 CG TRP A 13 7.955 -5.701 14.671 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.925 -6.542 14.983 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.509 -4.380 15.010 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.863 -5.825 15.479 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.196 -4.497 15.509 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.089 -3.111 14.939 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.454 -3.392 15.927 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.355 -2.017 15.359 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.049 -2.164 15.845 1.00 0.00 C ATOM 0 H TRP A 13 7.458 -7.218 12.901 1.00 0.00 H new ATOM 0 HA TRP A 13 9.338 -5.181 12.134 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.595 -7.047 14.489 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.034 -5.355 14.371 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.943 -7.615 14.858 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.970 -6.219 15.777 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.094 -2.987 14.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.447 -3.503 16.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.796 -1.032 15.312 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.501 -1.289 16.161 1.00 0.00 H new ATOM 251 N VAL A 14 10.983 -6.581 10.910 1.00 0.00 N ATOM 252 CA VAL A 14 12.090 -7.322 10.305 1.00 0.00 C ATOM 253 C VAL A 14 12.979 -6.413 9.470 1.00 0.00 C ATOM 254 O VAL A 14 12.708 -5.225 9.331 1.00 0.00 O ATOM 255 CB VAL A 14 11.559 -8.476 9.427 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.982 -7.945 8.122 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.634 -9.521 9.162 1.00 0.00 C ATOM 0 H VAL A 14 10.719 -5.728 10.416 1.00 0.00 H new ATOM 0 HA VAL A 14 12.687 -7.734 11.119 1.00 0.00 H new ATOM 0 HB VAL A 14 10.757 -8.966 9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.615 -8.777 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.160 -7.263 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.758 -7.414 7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.223 -10.317 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.474 -9.056 8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.976 -9.939 10.109 1.00 0.00 H new ATOM 267 N ASP A 15 14.043 -6.991 8.927 1.00 0.00 N ATOM 268 CA ASP A 15 14.997 -6.256 8.102 1.00 0.00 C ATOM 269 C ASP A 15 14.705 -6.463 6.617 1.00 0.00 C ATOM 270 O ASP A 15 13.717 -7.106 6.259 1.00 0.00 O ATOM 271 CB ASP A 15 16.418 -6.712 8.430 1.00 0.00 C ATOM 272 CG ASP A 15 16.718 -8.100 7.898 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.466 -9.082 8.628 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.205 -8.205 6.754 1.00 0.00 O ATOM 0 H ASP A 15 14.270 -7.979 9.045 1.00 0.00 H new ATOM 0 HA ASP A 15 14.900 -5.192 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.130 -6.003 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.559 -6.702 9.511 1.00 0.00 H new ATOM 279 N THR A 16 15.567 -5.922 5.751 1.00 0.00 N ATOM 280 CA THR A 16 15.373 -6.058 4.309 1.00 0.00 C ATOM 281 C THR A 16 16.552 -5.497 3.515 1.00 0.00 C ATOM 282 O THR A 16 17.578 -5.117 4.079 1.00 0.00 O ATOM 283 CB THR A 16 14.087 -5.338 3.857 1.00 0.00 C ATOM 284 OG1 THR A 16 13.626 -5.886 2.616 1.00 0.00 O ATOM 285 CG2 THR A 16 14.323 -3.843 3.695 1.00 0.00 C ATOM 0 H THR A 16 16.396 -5.392 6.021 1.00 0.00 H new ATOM 0 HA THR A 16 15.292 -7.126 4.109 1.00 0.00 H new ATOM 0 HB THR A 16 13.330 -5.488 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.808 -5.424 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.399 -3.361 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.642 -3.420 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.097 -3.676 2.946 1.00 0.00 H new ATOM 293 N HIS A 17 16.384 -5.453 2.193 1.00 0.00 N ATOM 294 CA HIS A 17 17.407 -4.930 1.293 1.00 0.00 C ATOM 295 C HIS A 17 16.902 -3.663 0.605 1.00 0.00 C ATOM 296 O HIS A 17 15.881 -3.108 1.002 1.00 0.00 O ATOM 297 CB HIS A 17 17.787 -5.985 0.255 1.00 0.00 C ATOM 298 CG HIS A 17 18.837 -6.941 0.730 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.159 -6.859 0.349 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.754 -8.008 1.562 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.844 -7.831 0.923 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.014 -8.543 1.664 1.00 0.00 N ATOM 0 H HIS A 17 15.540 -5.777 1.720 1.00 0.00 H new ATOM 0 HA HIS A 17 18.295 -4.681 1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.895 -6.547 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.143 -5.485 -0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.863 -8.370 2.053 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.902 -8.013 0.807 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.268 -9.358 2.222 1.00 0.00 H new ATOM 311 N VAL A 18 17.605 -3.212 -0.429 1.00 0.00 N ATOM 312 CA VAL A 18 17.205 -2.001 -1.141 1.00 0.00 C ATOM 313 C VAL A 18 16.335 -2.309 -2.357 1.00 0.00 C ATOM 314 O VAL A 18 16.628 -3.216 -3.136 1.00 0.00 O ATOM 315 CB VAL A 18 18.429 -1.183 -1.597 1.00 0.00 C ATOM 316 CG1 VAL A 18 17.989 0.145 -2.201 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.385 -0.959 -0.436 1.00 0.00 C ATOM 0 H VAL A 18 18.447 -3.661 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 18 16.621 -1.415 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 18 18.956 -1.749 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.866 0.709 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.348 -0.042 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.438 0.719 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.243 -0.380 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.873 -0.415 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.726 -1.921 -0.054 1.00 0.00 H new ATOM 327 N GLY A 19 15.262 -1.535 -2.501 1.00 0.00 N ATOM 328 CA GLY A 19 14.346 -1.704 -3.615 1.00 0.00 C ATOM 329 C GLY A 19 13.787 -3.105 -3.727 1.00 0.00 C ATOM 330 O GLY A 19 13.263 -3.481 -4.775 1.00 0.00 O ATOM 0 H GLY A 19 15.009 -0.785 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.521 -0.999 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.862 -1.452 -4.541 1.00 0.00 H new ATOM 334 N LYS A 20 13.906 -3.887 -2.659 1.00 0.00 N ATOM 335 CA LYS A 20 13.384 -5.243 -2.659 1.00 0.00 C ATOM 336 C LYS A 20 11.866 -5.204 -2.762 1.00 0.00 C ATOM 337 O LYS A 20 11.159 -5.302 -1.759 1.00 0.00 O ATOM 338 CB LYS A 20 13.816 -5.986 -1.395 1.00 0.00 C ATOM 339 CG LYS A 20 14.255 -7.413 -1.651 1.00 0.00 C ATOM 340 CD LYS A 20 15.672 -7.438 -2.175 1.00 0.00 C ATOM 341 CE LYS A 20 16.301 -8.816 -2.035 1.00 0.00 C ATOM 342 NZ LYS A 20 16.345 -9.265 -0.616 1.00 0.00 N ATOM 0 H LYS A 20 14.357 -3.605 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 20 13.787 -5.778 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.635 -5.441 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.988 -5.991 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.190 -7.992 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.585 -7.884 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.677 -7.141 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.273 -6.707 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.734 -9.535 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.312 -8.796 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.309 -9.576 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.073 -8.477 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.684 -10.056 -0.482 1.00 0.00 H new ATOM 356 N THR A 21 11.378 -5.038 -3.988 1.00 0.00 N ATOM 357 CA THR A 21 9.949 -4.954 -4.249 1.00 0.00 C ATOM 358 C THR A 21 9.179 -6.050 -3.527 1.00 0.00 C ATOM 359 O THR A 21 9.123 -7.192 -3.987 1.00 0.00 O ATOM 360 CB THR A 21 9.647 -5.041 -5.755 1.00 0.00 C ATOM 361 OG1 THR A 21 10.564 -4.221 -6.489 1.00 0.00 O ATOM 362 CG2 THR A 21 8.223 -4.594 -6.041 1.00 0.00 C ATOM 0 H THR A 21 11.960 -4.959 -4.822 1.00 0.00 H new ATOM 0 HA THR A 21 9.624 -3.985 -3.871 1.00 0.00 H new ATOM 0 HB THR A 21 9.760 -6.079 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.365 -4.284 -7.447 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.028 -4.663 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.525 -5.236 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.093 -3.562 -5.714 1.00 0.00 H new ATOM 370 N THR A 22 8.591 -5.695 -2.392 1.00 0.00 N ATOM 371 CA THR A 22 7.812 -6.642 -1.610 1.00 0.00 C ATOM 372 C THR A 22 6.341 -6.555 -1.980 1.00 0.00 C ATOM 373 O THR A 22 5.624 -5.656 -1.535 1.00 0.00 O ATOM 374 CB THR A 22 7.981 -6.401 -0.096 1.00 0.00 C ATOM 375 OG1 THR A 22 9.348 -6.604 0.282 1.00 0.00 O ATOM 376 CG2 THR A 22 7.085 -7.331 0.712 1.00 0.00 C ATOM 0 H THR A 22 8.640 -4.757 -1.993 1.00 0.00 H new ATOM 0 HA THR A 22 8.185 -7.640 -1.841 1.00 0.00 H new ATOM 0 HB THR A 22 7.691 -5.372 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.934 -6.130 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.226 -7.138 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.043 -7.154 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.345 -8.367 0.494 1.00 0.00 H new ATOM 384 N GLU A 23 5.911 -7.488 -2.820 1.00 0.00 N ATOM 385 CA GLU A 23 4.540 -7.552 -3.273 1.00 0.00 C ATOM 386 C GLU A 23 3.656 -8.210 -2.230 1.00 0.00 C ATOM 387 O GLU A 23 3.984 -9.272 -1.701 1.00 0.00 O ATOM 388 CB GLU A 23 4.479 -8.333 -4.578 1.00 0.00 C ATOM 389 CG GLU A 23 3.096 -8.368 -5.192 1.00 0.00 C ATOM 390 CD GLU A 23 3.105 -8.880 -6.618 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.272 -10.103 -6.809 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.944 -8.058 -7.545 1.00 0.00 O ATOM 0 H GLU A 23 6.509 -8.220 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 23 4.174 -6.538 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.174 -7.890 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.815 -9.354 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.449 -9.003 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.668 -7.366 -5.172 1.00 0.00 H new ATOM 399 N ILE A 24 2.531 -7.573 -1.939 1.00 0.00 N ATOM 400 CA ILE A 24 1.602 -8.096 -0.956 1.00 0.00 C ATOM 401 C ILE A 24 0.166 -8.034 -1.450 1.00 0.00 C ATOM 402 O ILE A 24 -0.445 -6.965 -1.481 1.00 0.00 O ATOM 403 CB ILE A 24 1.698 -7.317 0.361 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.149 -7.258 0.839 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.803 -7.954 1.415 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.339 -6.489 2.128 1.00 0.00 C ATOM 0 H ILE A 24 2.242 -6.695 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 24 1.879 -9.137 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 24 1.355 -6.296 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.518 -8.275 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.759 -6.800 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.880 -7.392 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.231 -7.944 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.118 -8.983 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.394 -6.492 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.003 -5.461 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.757 -6.959 2.921 1.00 0.00 H new ATOM 418 N HIS A 25 -0.360 -9.184 -1.848 1.00 0.00 N ATOM 419 CA HIS A 25 -1.735 -9.276 -2.304 1.00 0.00 C ATOM 420 C HIS A 25 -2.650 -9.479 -1.107 1.00 0.00 C ATOM 421 O HIS A 25 -2.841 -10.604 -0.642 1.00 0.00 O ATOM 422 CB HIS A 25 -1.907 -10.434 -3.282 1.00 0.00 C ATOM 423 CG HIS A 25 -0.781 -10.582 -4.256 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.011 -11.722 -4.348 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.306 -9.732 -5.196 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.888 -11.566 -5.303 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.730 -10.368 -5.834 1.00 0.00 N ATOM 0 H HIS A 25 0.149 -10.068 -1.863 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.995 -8.350 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.009 -11.361 -2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.836 -10.294 -3.835 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.119 -12.555 -3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.674 -8.738 -5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.627 -12.295 -5.599 1.00 0.00 H new ATOM 436 N LEU A 26 -3.206 -8.389 -0.607 1.00 0.00 N ATOM 437 CA LEU A 26 -4.086 -8.448 0.550 1.00 0.00 C ATOM 438 C LEU A 26 -5.532 -8.573 0.106 1.00 0.00 C ATOM 439 O LEU A 26 -5.943 -7.964 -0.876 1.00 0.00 O ATOM 440 CB LEU A 26 -3.924 -7.195 1.407 1.00 0.00 C ATOM 441 CG LEU A 26 -2.494 -6.882 1.857 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.327 -5.388 2.088 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.148 -7.655 3.122 1.00 0.00 C ATOM 0 H LEU A 26 -3.064 -7.452 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.815 -9.323 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.304 -6.341 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.550 -7.299 2.293 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.810 -7.192 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.306 -5.181 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.533 -4.851 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.022 -5.059 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.128 -7.419 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.837 -7.376 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.231 -8.725 2.929 1.00 0.00 H new ATOM 455 N LYS A 27 -6.300 -9.359 0.835 1.00 0.00 N ATOM 456 CA LYS A 27 -7.702 -9.556 0.508 1.00 0.00 C ATOM 457 C LYS A 27 -8.583 -8.720 1.422 1.00 0.00 C ATOM 458 O LYS A 27 -8.117 -8.175 2.423 1.00 0.00 O ATOM 459 CB LYS A 27 -8.078 -11.030 0.613 1.00 0.00 C ATOM 460 CG LYS A 27 -7.222 -11.933 -0.261 1.00 0.00 C ATOM 461 CD LYS A 27 -7.417 -13.398 0.088 1.00 0.00 C ATOM 462 CE LYS A 27 -6.566 -14.301 -0.790 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.898 -14.146 -2.233 1.00 0.00 N ATOM 0 H LYS A 27 -5.979 -9.872 1.657 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.861 -9.233 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.986 -11.348 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.125 -11.152 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.474 -11.771 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.172 -11.667 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.160 -13.560 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.468 -13.663 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.512 -14.071 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.713 -15.339 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.479 -14.930 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.931 -14.155 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.517 -13.244 -2.582 1.00 0.00 H new ATOM 477 N GLY A 28 -9.855 -8.630 1.075 1.00 0.00 N ATOM 478 CA GLY A 28 -10.783 -7.844 1.863 1.00 0.00 C ATOM 479 C GLY A 28 -12.141 -7.720 1.203 1.00 0.00 C ATOM 480 O GLY A 28 -12.724 -8.716 0.774 1.00 0.00 O ATOM 0 H GLY A 28 -10.264 -9.087 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.900 -8.302 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.368 -6.849 2.023 1.00 0.00 H new ATOM 484 N ASN A 29 -12.641 -6.490 1.118 1.00 0.00 N ATOM 485 CA ASN A 29 -13.937 -6.226 0.503 1.00 0.00 C ATOM 486 C ASN A 29 -14.202 -4.723 0.432 1.00 0.00 C ATOM 487 O ASN A 29 -14.756 -4.144 1.363 1.00 0.00 O ATOM 488 CB ASN A 29 -15.053 -6.914 1.293 1.00 0.00 C ATOM 489 CG ASN A 29 -16.402 -6.794 0.613 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.489 -6.738 -0.614 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.465 -6.755 1.408 1.00 0.00 N ATOM 0 H ASN A 29 -12.166 -5.658 1.469 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.921 -6.628 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.807 -7.968 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.112 -6.477 2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.399 -6.676 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.347 -6.804 2.420 1.00 0.00 H new ATOM 547 N TYR A 34 -14.196 -0.173 5.086 1.00 0.00 N ATOM 548 CA TYR A 34 -12.797 0.184 5.298 1.00 0.00 C ATOM 549 C TYR A 34 -11.978 0.014 4.019 1.00 0.00 C ATOM 550 O TYR A 34 -12.512 -0.323 2.961 1.00 0.00 O ATOM 551 CB TYR A 34 -12.188 -0.658 6.423 1.00 0.00 C ATOM 552 CG TYR A 34 -12.769 -0.365 7.792 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.993 -0.900 8.172 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.093 0.443 8.704 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.529 -0.641 9.419 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.625 0.705 9.953 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.842 0.161 10.305 1.00 0.00 C ATOM 558 OH TYR A 34 -14.373 0.419 11.548 1.00 0.00 O ATOM 0 HA TYR A 34 -12.768 1.235 5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.336 -1.713 6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.112 -0.486 6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.535 -1.529 7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.140 0.871 8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.482 -1.065 9.698 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.090 1.333 10.650 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.764 1.000 12.050 1.00 0.00 H new ATOM 568 N MET A 35 -10.677 0.253 4.135 1.00 0.00 N ATOM 569 CA MET A 35 -9.757 0.159 3.030 1.00 0.00 C ATOM 570 C MET A 35 -8.396 -0.285 3.533 1.00 0.00 C ATOM 571 O MET A 35 -8.028 -0.013 4.674 1.00 0.00 O ATOM 572 CB MET A 35 -9.622 1.526 2.367 1.00 0.00 C ATOM 573 CG MET A 35 -8.313 1.714 1.630 1.00 0.00 C ATOM 574 SD MET A 35 -8.050 3.420 1.103 1.00 0.00 S ATOM 575 CE MET A 35 -7.235 3.178 -0.473 1.00 0.00 C ATOM 0 H MET A 35 -10.235 0.520 5.015 1.00 0.00 H new ATOM 0 HA MET A 35 -10.134 -0.567 2.310 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.447 1.665 1.668 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.716 2.301 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.490 1.406 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.295 1.061 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.510 3.975 -0.634 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.723 2.216 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.976 3.195 -1.272 1.00 0.00 H new ATOM 585 N TRP A 36 -7.649 -0.952 2.676 1.00 0.00 N ATOM 586 CA TRP A 36 -6.320 -1.409 3.035 1.00 0.00 C ATOM 587 C TRP A 36 -5.271 -0.605 2.284 1.00 0.00 C ATOM 588 O TRP A 36 -4.872 -0.964 1.176 1.00 0.00 O ATOM 589 CB TRP A 36 -6.157 -2.888 2.726 1.00 0.00 C ATOM 590 CG TRP A 36 -6.304 -3.770 3.927 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.201 -4.784 4.096 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.531 -3.711 5.128 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.036 -5.357 5.333 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.017 -4.716 5.985 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.476 -2.905 5.563 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.482 -4.936 7.251 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.948 -3.123 6.818 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.451 -4.132 7.650 1.00 0.00 C ATOM 0 H TRP A 36 -7.938 -1.190 1.727 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.185 -1.262 4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.896 -3.178 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.175 -3.052 2.283 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.933 -5.091 3.364 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.583 -6.133 5.705 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.081 -2.126 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.867 -5.713 7.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.133 -2.506 7.166 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.015 -4.278 8.627 1.00 0.00 H new ATOM 609 N THR A 37 -4.833 0.490 2.890 1.00 0.00 N ATOM 610 CA THR A 37 -3.836 1.351 2.270 1.00 0.00 C ATOM 611 C THR A 37 -2.830 1.837 3.313 1.00 0.00 C ATOM 612 O THR A 37 -2.790 1.310 4.423 1.00 0.00 O ATOM 613 CB THR A 37 -4.501 2.556 1.582 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.558 3.222 0.736 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.042 3.532 2.611 1.00 0.00 C ATOM 0 H THR A 37 -5.151 0.802 3.807 1.00 0.00 H new ATOM 0 HA THR A 37 -3.311 0.768 1.513 1.00 0.00 H new ATOM 0 HB THR A 37 -5.331 2.189 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.883 3.211 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.508 4.376 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.782 3.030 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.225 3.891 3.236 1.00 0.00 H new ATOM 623 N ARG A 38 -2.023 2.841 2.971 1.00 0.00 N ATOM 624 CA ARG A 38 -1.035 3.365 3.905 1.00 0.00 C ATOM 625 C ARG A 38 -1.610 4.532 4.701 1.00 0.00 C ATOM 626 O ARG A 38 -2.084 5.513 4.128 1.00 0.00 O ATOM 627 CB ARG A 38 0.231 3.809 3.166 1.00 0.00 C ATOM 628 CG ARG A 38 1.271 2.728 2.997 1.00 0.00 C ATOM 629 CD ARG A 38 2.381 3.177 2.060 1.00 0.00 C ATOM 630 NE ARG A 38 2.821 4.547 2.305 1.00 0.00 N ATOM 631 CZ ARG A 38 4.019 4.854 2.799 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.850 3.891 3.174 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.386 6.121 2.923 1.00 0.00 N ATOM 0 H ARG A 38 -2.035 3.302 2.061 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.772 2.565 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.051 4.181 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.678 4.644 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.693 2.470 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.802 1.826 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.232 2.504 2.167 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.035 3.092 1.030 1.00 0.00 H new ATOM 0 HE ARG A 38 2.178 5.308 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.572 2.914 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.767 4.128 3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.750 6.866 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.305 6.351 3.302 1.00 0.00 H new ATOM 647 N VAL A 39 -1.567 4.413 6.025 1.00 0.00 N ATOM 648 CA VAL A 39 -2.082 5.453 6.908 1.00 0.00 C ATOM 649 C VAL A 39 -1.476 6.811 6.568 1.00 0.00 C ATOM 650 O VAL A 39 -0.296 6.908 6.232 1.00 0.00 O ATOM 651 CB VAL A 39 -1.796 5.118 8.385 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.338 4.735 8.562 1.00 0.00 C ATOM 653 CG2 VAL A 39 -2.170 6.282 9.291 1.00 0.00 C ATOM 0 H VAL A 39 -1.179 3.604 6.510 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.161 5.499 6.758 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.413 4.267 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.148 4.501 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.114 3.862 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.296 5.567 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.958 6.019 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.588 7.161 9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.232 6.501 9.182 1.00 0.00 H new ATOM 663 N GLY A 40 -2.290 7.858 6.665 1.00 0.00 N ATOM 664 CA GLY A 40 -1.820 9.195 6.353 1.00 0.00 C ATOM 665 C GLY A 40 -1.877 9.477 4.867 1.00 0.00 C ATOM 666 O GLY A 40 -1.609 10.595 4.424 1.00 0.00 O ATOM 0 H GLY A 40 -3.267 7.804 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.427 9.927 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.796 9.312 6.706 1.00 0.00 H new ATOM 670 N PHE A 41 -2.230 8.452 4.098 1.00 0.00 N ATOM 671 CA PHE A 41 -2.332 8.568 2.650 1.00 0.00 C ATOM 672 C PHE A 41 -3.684 8.059 2.177 1.00 0.00 C ATOM 673 O PHE A 41 -3.985 8.067 0.985 1.00 0.00 O ATOM 674 CB PHE A 41 -1.209 7.775 1.988 1.00 0.00 C ATOM 675 CG PHE A 41 0.139 8.113 2.545 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.767 9.299 2.207 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.768 7.250 3.424 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.004 9.617 2.734 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.002 7.563 3.958 1.00 0.00 C ATOM 680 CZ PHE A 41 2.622 8.748 3.612 1.00 0.00 C ATOM 0 H PHE A 41 -2.452 7.524 4.459 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.238 9.617 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.396 6.709 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.214 7.970 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.285 9.983 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.289 6.321 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.487 10.543 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.482 6.882 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.588 8.995 4.027 1.00 0.00 H new ATOM 690 N VAL A 42 -4.484 7.608 3.133 1.00 0.00 N ATOM 691 CA VAL A 42 -5.815 7.093 2.845 1.00 0.00 C ATOM 692 C VAL A 42 -6.642 8.115 2.071 1.00 0.00 C ATOM 693 O VAL A 42 -7.105 9.109 2.630 1.00 0.00 O ATOM 694 CB VAL A 42 -6.551 6.714 4.143 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.883 6.053 3.825 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.673 5.811 4.995 1.00 0.00 C ATOM 0 H VAL A 42 -4.232 7.589 4.121 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.693 6.200 2.232 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.759 7.620 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.390 5.791 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.504 6.743 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.710 5.150 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.202 5.548 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.437 4.904 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.750 6.333 5.246 1.00 0.00 H new ATOM 706 N GLY A 43 -6.821 7.860 0.778 1.00 0.00 N ATOM 707 CA GLY A 43 -7.582 8.764 -0.064 1.00 0.00 C ATOM 708 C GLY A 43 -6.718 9.422 -1.121 1.00 0.00 C ATOM 709 O GLY A 43 -7.192 9.752 -2.207 1.00 0.00 O ATOM 0 H GLY A 43 -6.451 7.040 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.390 8.215 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.045 9.532 0.555 1.00 0.00 H new ATOM 763 N LEU A 47 0.802 6.664 -1.905 1.00 0.00 N ATOM 764 CA LEU A 47 1.079 6.422 -0.500 1.00 0.00 C ATOM 765 C LEU A 47 2.548 6.698 -0.203 1.00 0.00 C ATOM 766 O LEU A 47 2.881 7.439 0.721 1.00 0.00 O ATOM 767 CB LEU A 47 0.731 4.980 -0.145 1.00 0.00 C ATOM 768 CG LEU A 47 -0.524 4.424 -0.826 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.718 2.955 -0.471 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.751 5.234 -0.437 1.00 0.00 C ATOM 0 HA LEU A 47 0.468 7.092 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.578 4.344 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.600 4.910 0.935 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.391 4.503 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.614 2.577 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.148 2.383 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.827 2.853 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.631 4.822 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.888 5.190 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.615 6.271 -0.744 1.00 0.00 H new ATOM 782 N SER A 48 3.416 6.081 -0.997 1.00 0.00 N ATOM 783 CA SER A 48 4.857 6.249 -0.868 1.00 0.00 C ATOM 784 C SER A 48 5.257 7.724 -0.889 1.00 0.00 C ATOM 785 O SER A 48 4.408 8.608 -1.010 1.00 0.00 O ATOM 786 CB SER A 48 5.551 5.518 -2.011 1.00 0.00 C ATOM 787 OG SER A 48 5.349 6.188 -3.243 1.00 0.00 O ATOM 0 H SER A 48 3.139 5.450 -1.749 1.00 0.00 H new ATOM 0 HA SER A 48 5.164 5.832 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.619 5.444 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.169 4.500 -2.081 1.00 0.00 H new ATOM 0 HG SER A 48 5.806 5.700 -3.960 1.00 0.00 H new ATOM 793 N ASP A 49 6.562 7.981 -0.790 1.00 0.00 N ATOM 794 CA ASP A 49 7.075 9.348 -0.796 1.00 0.00 C ATOM 795 C ASP A 49 8.534 9.389 -1.238 1.00 0.00 C ATOM 796 O ASP A 49 8.832 9.583 -2.416 1.00 0.00 O ATOM 797 CB ASP A 49 6.946 9.981 0.592 1.00 0.00 C ATOM 798 CG ASP A 49 5.513 10.326 0.945 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.069 11.443 0.606 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.835 9.478 1.562 1.00 0.00 O ATOM 0 H ASP A 49 7.280 7.261 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 49 6.477 9.917 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.345 9.294 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.554 10.885 0.633 1.00 0.00 H new ATOM 805 N GLU A 50 9.436 9.209 -0.279 1.00 0.00 N ATOM 806 CA GLU A 50 10.864 9.237 -0.552 1.00 0.00 C ATOM 807 C GLU A 50 11.579 8.076 0.134 1.00 0.00 C ATOM 808 O GLU A 50 12.592 7.578 -0.357 1.00 0.00 O ATOM 809 CB GLU A 50 11.439 10.564 -0.067 1.00 0.00 C ATOM 810 CG GLU A 50 11.375 10.737 1.442 1.00 0.00 C ATOM 811 CD GLU A 50 11.897 12.085 1.898 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.097 13.042 1.957 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.106 12.184 2.196 1.00 0.00 O ATOM 0 H GLU A 50 9.199 9.041 0.699 1.00 0.00 H new ATOM 0 HA GLU A 50 11.018 9.136 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.477 10.641 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.896 11.381 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.343 10.620 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.955 9.947 1.919 1.00 0.00 H new ATOM 820 N ILE A 51 11.044 7.656 1.274 1.00 0.00 N ATOM 821 CA ILE A 51 11.622 6.560 2.042 1.00 0.00 C ATOM 822 C ILE A 51 11.353 5.219 1.378 1.00 0.00 C ATOM 823 O ILE A 51 12.253 4.598 0.817 1.00 0.00 O ATOM 824 CB ILE A 51 11.048 6.533 3.468 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.063 7.938 4.069 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.828 5.562 4.340 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.454 8.480 4.329 1.00 0.00 C ATOM 0 H ILE A 51 10.205 8.061 1.689 1.00 0.00 H new ATOM 0 HA ILE A 51 12.698 6.728 2.083 1.00 0.00 H new ATOM 0 HB ILE A 51 10.015 6.189 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.540 8.616 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.507 7.928 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.407 5.557 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.765 4.560 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.872 5.872 4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.381 9.481 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.975 7.825 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.008 8.525 3.391 1.00 0.00 H new ATOM 839 N LEU A 52 10.110 4.764 1.472 1.00 0.00 N ATOM 840 CA LEU A 52 9.710 3.497 0.869 1.00 0.00 C ATOM 841 C LEU A 52 8.890 3.719 -0.394 1.00 0.00 C ATOM 842 O LEU A 52 7.803 4.291 -0.338 1.00 0.00 O ATOM 843 CB LEU A 52 8.890 2.668 1.861 1.00 0.00 C ATOM 844 CG LEU A 52 9.701 1.731 2.754 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.828 1.159 3.859 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.319 0.612 1.931 1.00 0.00 C ATOM 0 H LEU A 52 9.360 5.253 1.960 1.00 0.00 H new ATOM 0 HA LEU A 52 10.621 2.959 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.323 3.348 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.166 2.075 1.302 1.00 0.00 H new ATOM 0 HG LEU A 52 10.506 2.305 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.423 0.494 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.432 1.972 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.002 0.600 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.893 -0.046 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.529 0.040 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.978 1.038 1.175 1.00 0.00 H new ATOM 858 N GLU A 53 9.423 3.283 -1.535 1.00 0.00 N ATOM 859 CA GLU A 53 8.714 3.399 -2.803 1.00 0.00 C ATOM 860 C GLU A 53 7.533 2.439 -2.826 1.00 0.00 C ATOM 861 O GLU A 53 7.530 1.453 -3.564 1.00 0.00 O ATOM 862 CB GLU A 53 9.653 3.099 -3.971 1.00 0.00 C ATOM 863 CG GLU A 53 10.107 4.337 -4.714 1.00 0.00 C ATOM 864 CD GLU A 53 9.337 4.566 -5.999 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.294 5.251 -5.953 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.778 4.059 -7.052 1.00 0.00 O ATOM 0 H GLU A 53 10.343 2.847 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 53 8.348 4.421 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.528 2.568 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.150 2.430 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.992 5.206 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.169 4.249 -4.943 1.00 0.00 H new ATOM 873 N VAL A 54 6.538 2.731 -2.002 1.00 0.00 N ATOM 874 CA VAL A 54 5.358 1.893 -1.903 1.00 0.00 C ATOM 875 C VAL A 54 4.445 2.052 -3.106 1.00 0.00 C ATOM 876 O VAL A 54 3.497 2.839 -3.081 1.00 0.00 O ATOM 877 CB VAL A 54 4.547 2.199 -0.635 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.483 1.133 -0.431 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.458 2.308 0.576 1.00 0.00 C ATOM 0 H VAL A 54 6.527 3.547 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 54 5.725 0.868 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 54 4.050 3.162 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.912 1.357 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.813 1.118 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.960 0.158 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.861 2.525 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.989 1.367 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.178 3.111 0.418 1.00 0.00 H new ATOM 889 N VAL A 55 4.738 1.313 -4.163 1.00 0.00 N ATOM 890 CA VAL A 55 3.918 1.348 -5.356 1.00 0.00 C ATOM 891 C VAL A 55 2.721 0.438 -5.159 1.00 0.00 C ATOM 892 O VAL A 55 2.738 -0.734 -5.537 1.00 0.00 O ATOM 893 CB VAL A 55 4.689 0.904 -6.602 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.837 1.111 -7.844 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.007 1.655 -6.713 1.00 0.00 C ATOM 0 H VAL A 55 5.538 0.683 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 55 3.602 2.379 -5.514 1.00 0.00 H new ATOM 0 HB VAL A 55 4.917 -0.158 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.394 0.792 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.923 0.523 -7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.582 2.167 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.540 1.325 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.811 2.725 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.616 1.454 -5.832 1.00 0.00 H new ATOM 905 N CYS A 56 1.693 0.989 -4.548 1.00 0.00 N ATOM 906 CA CYS A 56 0.482 0.241 -4.252 1.00 0.00 C ATOM 907 C CYS A 56 -0.635 0.573 -5.226 1.00 0.00 C ATOM 908 O CYS A 56 -0.795 1.720 -5.645 1.00 0.00 O ATOM 909 CB CYS A 56 0.023 0.523 -2.823 1.00 0.00 C ATOM 910 SG CYS A 56 -1.576 -0.209 -2.402 1.00 0.00 S ATOM 0 H CYS A 56 1.670 1.962 -4.243 1.00 0.00 H new ATOM 0 HA CYS A 56 0.716 -0.818 -4.357 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.776 0.147 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.034 1.602 -2.677 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.708 -1.347 -3.017 1.00 0.00 H new ATOM 916 N LYS A 57 -1.405 -0.445 -5.577 1.00 0.00 N ATOM 917 CA LYS A 57 -2.522 -0.287 -6.488 1.00 0.00 C ATOM 918 C LYS A 57 -3.751 -0.982 -5.928 1.00 0.00 C ATOM 919 O LYS A 57 -3.783 -2.209 -5.794 1.00 0.00 O ATOM 920 CB LYS A 57 -2.186 -0.861 -7.861 1.00 0.00 C ATOM 921 CG LYS A 57 -0.838 -0.408 -8.400 1.00 0.00 C ATOM 922 CD LYS A 57 -0.850 1.065 -8.775 1.00 0.00 C ATOM 923 CE LYS A 57 0.500 1.516 -9.307 1.00 0.00 C ATOM 924 NZ LYS A 57 0.493 2.954 -9.693 1.00 0.00 N ATOM 0 H LYS A 57 -1.272 -1.398 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.727 0.778 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.197 -1.949 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.965 -0.572 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.067 -0.587 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.576 -1.004 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.617 1.243 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.116 1.661 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.264 1.348 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.771 0.910 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.432 3.222 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.218 3.111 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.260 3.535 -8.863 1.00 0.00 H new ATOM 938 N TYR A 58 -4.751 -0.190 -5.588 1.00 0.00 N ATOM 939 CA TYR A 58 -5.993 -0.718 -5.048 1.00 0.00 C ATOM 940 C TYR A 58 -6.880 -1.198 -6.191 1.00 0.00 C ATOM 941 O TYR A 58 -7.508 -0.397 -6.882 1.00 0.00 O ATOM 942 CB TYR A 58 -6.708 0.356 -4.216 1.00 0.00 C ATOM 943 CG TYR A 58 -7.848 -0.163 -3.367 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.823 -1.002 -3.902 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.956 0.200 -2.028 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.868 -1.468 -3.133 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.004 -0.258 -1.255 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.955 -1.092 -1.810 1.00 0.00 C ATOM 949 OH TYR A 58 -10.997 -1.547 -1.035 1.00 0.00 O ATOM 0 H TYR A 58 -4.728 0.826 -5.676 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.775 -1.562 -4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.979 0.839 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.093 1.122 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.759 -1.293 -4.940 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.212 0.847 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.612 -2.122 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.080 0.035 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.909 -1.190 -0.127 1.00 0.00 H new ATOM 959 N THR A 59 -6.922 -2.513 -6.385 1.00 0.00 N ATOM 960 CA THR A 59 -7.717 -3.102 -7.455 1.00 0.00 C ATOM 961 C THR A 59 -9.026 -3.683 -6.929 1.00 0.00 C ATOM 962 O THR A 59 -9.022 -4.679 -6.211 1.00 0.00 O ATOM 963 CB THR A 59 -6.940 -4.218 -8.174 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.613 -3.773 -8.479 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.646 -4.627 -9.457 1.00 0.00 C ATOM 0 H THR A 59 -6.415 -3.190 -5.815 1.00 0.00 H new ATOM 0 HA THR A 59 -7.938 -2.297 -8.156 1.00 0.00 H new ATOM 0 HB THR A 59 -6.891 -5.082 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.124 -4.490 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.079 -5.417 -9.948 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.646 -4.991 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.720 -3.766 -10.122 1.00 0.00 H new ATOM 973 N PRO A 60 -10.163 -3.060 -7.277 1.00 0.00 N ATOM 974 CA PRO A 60 -11.480 -3.508 -6.867 1.00 0.00 C ATOM 975 C PRO A 60 -12.179 -4.293 -7.974 1.00 0.00 C ATOM 976 O PRO A 60 -13.373 -4.125 -8.207 1.00 0.00 O ATOM 977 CB PRO A 60 -12.181 -2.177 -6.628 1.00 0.00 C ATOM 978 CG PRO A 60 -11.596 -1.252 -7.655 1.00 0.00 C ATOM 979 CD PRO A 60 -10.273 -1.838 -8.084 1.00 0.00 C ATOM 0 HA PRO A 60 -11.470 -4.181 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.260 -2.270 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.003 -1.811 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.267 -1.152 -8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.458 -0.254 -7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.259 -2.059 -9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.448 -1.153 -7.889 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.492 -6.719 -4.428 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.475 -6.845 -3.396 1.00 0.00 C ATOM 1137 C ILE A 73 -6.662 -5.566 -3.274 1.00 0.00 C ATOM 1138 O ILE A 73 -7.037 -4.521 -3.805 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.505 -8.013 -3.657 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.874 -7.915 -5.041 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.191 -9.353 -3.468 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.525 -8.600 -5.113 1.00 0.00 C ATOM 0 HA ILE A 73 -8.014 -7.042 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.704 -7.940 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.545 -8.362 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.760 -6.865 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.480 -10.156 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.560 -9.432 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.027 -9.435 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.120 -8.501 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.843 -8.137 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.640 -9.657 -4.871 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.541 -5.662 -2.569 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.661 -4.526 -2.365 1.00 0.00 C ATOM 1156 C TYR A 74 -3.217 -4.916 -2.675 1.00 0.00 C ATOM 1157 O TYR A 74 -2.536 -5.514 -1.842 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.787 -4.040 -0.920 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.193 -4.169 -0.364 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.613 -5.338 0.262 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.101 -3.125 -0.464 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.889 -5.461 0.770 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.383 -3.244 0.045 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.770 -4.413 0.660 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.044 -4.531 1.165 1.00 0.00 O ATOM 0 H TYR A 74 -5.221 -6.524 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.949 -3.719 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.102 -4.609 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.477 -2.996 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.926 -6.166 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.803 -2.206 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.194 -6.378 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.078 -2.422 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.538 -3.700 1.005 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.759 -4.582 -3.881 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.400 -4.909 -4.305 1.00 0.00 C ATOM 1177 C VAL A 75 -0.419 -3.839 -3.858 1.00 0.00 C ATOM 1178 O VAL A 75 -0.385 -2.743 -4.412 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.309 -5.072 -5.837 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.137 -5.250 -6.275 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.158 -6.243 -6.300 1.00 0.00 C ATOM 0 H VAL A 75 -3.310 -4.085 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.140 -5.857 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.695 -4.164 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.178 -5.363 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.717 -4.376 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.554 -6.139 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.081 -6.342 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.805 -7.159 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.198 -6.070 -6.024 1.00 0.00 H new ATOM 1191 N VAL A 76 0.382 -4.165 -2.854 1.00 0.00 N ATOM 1192 CA VAL A 76 1.359 -3.219 -2.327 1.00 0.00 C ATOM 1193 C VAL A 76 2.795 -3.621 -2.660 1.00 0.00 C ATOM 1194 O VAL A 76 3.249 -4.703 -2.285 1.00 0.00 O ATOM 1195 CB VAL A 76 1.230 -3.081 -0.798 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.147 -1.983 -0.285 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.214 -2.813 -0.401 1.00 0.00 C ATOM 0 H VAL A 76 0.376 -5.073 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 76 1.143 -2.264 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 76 1.535 -4.022 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.044 -1.899 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.180 -2.226 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.876 -1.035 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.282 -2.719 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.554 -1.888 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.842 -3.639 -0.734 1.00 0.00 H new ATOM 1207 N LEU A 77 3.501 -2.743 -3.371 1.00 0.00 N ATOM 1208 CA LEU A 77 4.896 -2.981 -3.728 1.00 0.00 C ATOM 1209 C LEU A 77 5.793 -2.031 -2.955 1.00 0.00 C ATOM 1210 O LEU A 77 5.932 -0.867 -3.316 1.00 0.00 O ATOM 1211 CB LEU A 77 5.123 -2.789 -5.229 1.00 0.00 C ATOM 1212 CG LEU A 77 4.444 -3.827 -6.124 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.717 -3.527 -7.589 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.914 -5.227 -5.767 1.00 0.00 C ATOM 0 H LEU A 77 3.127 -1.857 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 77 5.140 -4.012 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.766 -1.799 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.195 -2.809 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 77 3.368 -3.775 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.226 -4.275 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.329 -2.539 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.791 -3.551 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.421 -5.952 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.993 -5.294 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.666 -5.440 -4.727 1.00 0.00 H new ATOM 1226 N VAL A 78 6.409 -2.528 -1.898 1.00 0.00 N ATOM 1227 CA VAL A 78 7.271 -1.692 -1.078 1.00 0.00 C ATOM 1228 C VAL A 78 8.729 -1.824 -1.500 1.00 0.00 C ATOM 1229 O VAL A 78 9.380 -2.832 -1.227 1.00 0.00 O ATOM 1230 CB VAL A 78 7.132 -2.030 0.417 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.813 -0.772 1.222 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.066 -3.092 0.637 1.00 0.00 C ATOM 0 H VAL A 78 6.331 -3.497 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 78 6.951 -0.661 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 78 8.084 -2.431 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.718 -1.029 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.616 -0.046 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.876 -0.341 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.987 -3.313 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.107 -2.726 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.339 -3.999 0.097 1.00 0.00 H new ATOM 1242 N LYS A 79 9.231 -0.793 -2.176 1.00 0.00 N ATOM 1243 CA LYS A 79 10.610 -0.780 -2.648 1.00 0.00 C ATOM 1244 C LYS A 79 11.468 0.181 -1.825 1.00 0.00 C ATOM 1245 O LYS A 79 11.408 1.394 -2.019 1.00 0.00 O ATOM 1246 CB LYS A 79 10.662 -0.387 -4.124 1.00 0.00 C ATOM 1247 CG LYS A 79 10.507 -1.566 -5.069 1.00 0.00 C ATOM 1248 CD LYS A 79 10.651 -1.140 -6.522 1.00 0.00 C ATOM 1249 CE LYS A 79 9.524 -0.212 -6.951 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.659 0.203 -8.374 1.00 0.00 N ATOM 0 H LYS A 79 8.700 0.046 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 79 11.012 -1.786 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.874 0.338 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.611 0.109 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.256 -2.322 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.531 -2.027 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.608 -0.638 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.658 -2.023 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.567 -0.713 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.519 0.672 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.872 0.834 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.561 0.704 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.638 -0.639 -8.985 1.00 0.00 H new ATOM 1264 N PRO A 80 12.276 -0.352 -0.892 1.00 0.00 N ATOM 1265 CA PRO A 80 13.149 0.464 -0.040 1.00 0.00 C ATOM 1266 C PRO A 80 14.013 1.434 -0.840 1.00 0.00 C ATOM 1267 O PRO A 80 15.065 1.062 -1.362 1.00 0.00 O ATOM 1268 CB PRO A 80 14.021 -0.570 0.672 1.00 0.00 C ATOM 1269 CG PRO A 80 13.212 -1.821 0.669 1.00 0.00 C ATOM 1270 CD PRO A 80 12.396 -1.790 -0.592 1.00 0.00 C ATOM 0 HA PRO A 80 12.575 1.096 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.969 -0.711 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.257 -0.255 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.855 -2.701 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.569 -1.871 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.888 -2.329 -1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.419 -2.253 -0.449 1.00 0.00 H new ATOM 1278 N ARG A 81 13.557 2.679 -0.938 1.00 0.00 N ATOM 1279 CA ARG A 81 14.283 3.708 -1.671 1.00 0.00 C ATOM 1280 C ARG A 81 15.609 4.040 -0.994 1.00 0.00 C ATOM 1281 O ARG A 81 16.636 4.183 -1.657 1.00 0.00 O ATOM 1282 CB ARG A 81 13.431 4.971 -1.783 1.00 0.00 C ATOM 1283 CG ARG A 81 13.073 5.334 -3.210 1.00 0.00 C ATOM 1284 CD ARG A 81 12.146 6.536 -3.260 1.00 0.00 C ATOM 1285 NE ARG A 81 11.885 6.968 -4.631 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.761 7.566 -5.017 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.792 7.791 -4.140 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.605 7.934 -6.281 1.00 0.00 N ATOM 0 H ARG A 81 12.685 2.999 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 81 14.496 3.322 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.514 4.833 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.968 5.804 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.982 5.550 -3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.594 4.483 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.203 6.288 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.588 7.359 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 81 12.606 6.802 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.908 7.505 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.931 8.250 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.347 7.759 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.743 8.392 -6.576 1.00 0.00 H new ATOM 1302 N LYS A 82 15.579 4.161 0.330 1.00 0.00 N ATOM 1303 CA LYS A 82 16.777 4.486 1.094 1.00 0.00 C ATOM 1304 C LYS A 82 17.174 3.331 2.009 1.00 0.00 C ATOM 1305 O LYS A 82 16.453 2.339 2.122 1.00 0.00 O ATOM 1306 CB LYS A 82 16.549 5.750 1.925 1.00 0.00 C ATOM 1307 CG LYS A 82 15.999 6.917 1.121 1.00 0.00 C ATOM 1308 CD LYS A 82 15.907 8.179 1.961 1.00 0.00 C ATOM 1309 CE LYS A 82 15.365 9.349 1.154 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.326 10.604 1.954 1.00 0.00 N ATOM 0 H LYS A 82 14.738 4.039 0.895 1.00 0.00 H new ATOM 0 HA LYS A 82 17.589 4.661 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.858 5.521 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.492 6.048 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.639 7.099 0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.011 6.662 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.261 7.999 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.893 8.431 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.986 9.500 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.361 9.112 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.344 10.940 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.699 10.420 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.907 11.330 1.489 1.00 0.00 H new ATOM 1324 N ARG A 83 18.326 3.468 2.657 1.00 0.00 N ATOM 1325 CA ARG A 83 18.822 2.443 3.567 1.00 0.00 C ATOM 1326 C ARG A 83 18.735 2.916 5.015 1.00 0.00 C ATOM 1327 O ARG A 83 19.261 3.971 5.366 1.00 0.00 O ATOM 1328 CB ARG A 83 20.267 2.091 3.221 1.00 0.00 C ATOM 1329 CG ARG A 83 20.454 1.654 1.780 1.00 0.00 C ATOM 1330 CD ARG A 83 21.920 1.440 1.456 1.00 0.00 C ATOM 1331 NE ARG A 83 22.477 0.293 2.167 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.747 -0.092 2.068 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.587 0.578 1.290 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.177 -1.146 2.748 1.00 0.00 N ATOM 0 H ARG A 83 18.935 4.281 2.568 1.00 0.00 H new ATOM 0 HA ARG A 83 18.199 1.555 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.900 2.957 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.607 1.293 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.902 0.731 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.038 2.408 1.112 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.036 1.292 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.483 2.336 1.717 1.00 0.00 H new ATOM 0 HE ARG A 83 21.858 -0.244 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.260 1.390 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.560 0.281 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.534 -1.663 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.151 -1.440 2.671 1.00 0.00 H new ATOM 1348 N GLY A 84 18.067 2.128 5.852 1.00 0.00 N ATOM 1349 CA GLY A 84 17.923 2.485 7.252 1.00 0.00 C ATOM 1350 C GLY A 84 16.699 1.856 7.886 1.00 0.00 C ATOM 1351 O GLY A 84 16.395 0.689 7.641 1.00 0.00 O ATOM 0 H GLY A 84 17.623 1.249 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.813 2.171 7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.859 3.569 7.343 1.00 0.00 H new ATOM 1355 N HIS A 85 15.994 2.631 8.703 1.00 0.00 N ATOM 1356 CA HIS A 85 14.795 2.141 9.372 1.00 0.00 C ATOM 1357 C HIS A 85 13.539 2.564 8.620 1.00 0.00 C ATOM 1358 O HIS A 85 13.031 3.671 8.807 1.00 0.00 O ATOM 1359 CB HIS A 85 14.738 2.653 10.811 1.00 0.00 C ATOM 1360 CG HIS A 85 15.902 2.221 11.648 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.966 3.047 11.941 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.164 1.041 12.259 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.833 2.394 12.695 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.369 1.176 12.902 1.00 0.00 N ATOM 0 H HIS A 85 16.232 3.599 8.918 1.00 0.00 H new ATOM 0 HA HIS A 85 14.840 1.052 9.385 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.694 3.742 10.799 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.817 2.302 11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.541 0.159 12.243 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.763 2.790 13.077 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.831 0.452 13.451 1.00 0.00 H new ATOM 1373 N HIS A 86 13.047 1.677 7.762 1.00 0.00 N ATOM 1374 CA HIS A 86 11.848 1.949 6.976 1.00 0.00 C ATOM 1375 C HIS A 86 10.702 1.049 7.422 1.00 0.00 C ATOM 1376 O HIS A 86 10.923 0.032 8.078 1.00 0.00 O ATOM 1377 CB HIS A 86 12.128 1.734 5.488 1.00 0.00 C ATOM 1378 CG HIS A 86 13.232 2.591 4.951 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.980 3.441 5.740 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.715 2.728 3.694 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.873 4.062 4.991 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.732 3.648 3.746 1.00 0.00 N ATOM 0 H HIS A 86 13.461 0.760 7.592 1.00 0.00 H new ATOM 0 HA HIS A 86 11.562 2.988 7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.381 0.687 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.217 1.935 4.924 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.862 3.570 6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.365 2.210 2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.596 4.786 5.338 1.00 0.00 H new ATOM 1391 N THR A 87 9.477 1.424 7.064 1.00 0.00 N ATOM 1392 CA THR A 87 8.306 0.639 7.437 1.00 0.00 C ATOM 1393 C THR A 87 7.111 0.949 6.541 1.00 0.00 C ATOM 1394 O THR A 87 6.916 2.087 6.116 1.00 0.00 O ATOM 1395 CB THR A 87 7.903 0.893 8.901 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.001 0.595 9.772 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.703 0.041 9.284 1.00 0.00 C ATOM 0 H THR A 87 9.271 2.261 6.519 1.00 0.00 H new ATOM 0 HA THR A 87 8.585 -0.407 7.313 1.00 0.00 H new ATOM 0 HB THR A 87 7.634 1.944 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.804 -0.219 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.435 0.236 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.860 0.289 8.639 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.953 -1.013 9.166 1.00 0.00 H new ATOM 1405 N LEU A 88 6.312 -0.077 6.266 1.00 0.00 N ATOM 1406 CA LEU A 88 5.125 0.072 5.435 1.00 0.00 C ATOM 1407 C LEU A 88 3.884 0.148 6.309 1.00 0.00 C ATOM 1408 O LEU A 88 3.301 -0.875 6.670 1.00 0.00 O ATOM 1409 CB LEU A 88 5.005 -1.101 4.465 1.00 0.00 C ATOM 1410 CG LEU A 88 3.693 -1.161 3.681 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.615 -0.018 2.684 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.559 -2.500 2.977 1.00 0.00 C ATOM 0 H LEU A 88 6.467 -1.025 6.609 1.00 0.00 H new ATOM 0 HA LEU A 88 5.215 0.994 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.832 -1.053 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.119 -2.029 5.025 1.00 0.00 H new ATOM 0 HG LEU A 88 2.865 -1.057 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.675 -0.077 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.666 0.932 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.448 -0.088 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.620 -2.528 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.392 -2.633 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.568 -3.302 3.715 1.00 0.00 H new ATOM 1424 N GLU A 89 3.490 1.363 6.651 1.00 0.00 N ATOM 1425 CA GLU A 89 2.332 1.578 7.499 1.00 0.00 C ATOM 1426 C GLU A 89 1.020 1.359 6.759 1.00 0.00 C ATOM 1427 O GLU A 89 0.453 2.295 6.200 1.00 0.00 O ATOM 1428 CB GLU A 89 2.369 2.988 8.072 1.00 0.00 C ATOM 1429 CG GLU A 89 3.550 3.225 8.987 1.00 0.00 C ATOM 1430 CD GLU A 89 3.635 4.657 9.477 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.044 4.959 10.534 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.293 5.477 8.801 1.00 0.00 O ATOM 0 H GLU A 89 3.958 2.219 6.352 1.00 0.00 H new ATOM 0 HA GLU A 89 2.378 0.843 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.402 3.706 7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.447 3.174 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.479 2.556 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.469 2.971 8.459 1.00 0.00 H new ATOM 1439 N LEU A 90 0.545 0.119 6.760 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.723 -0.211 6.117 1.00 0.00 C ATOM 1441 C LEU A 90 -1.801 -0.389 7.175 1.00 0.00 C ATOM 1442 O LEU A 90 -1.658 -1.202 8.088 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.614 -1.479 5.267 1.00 0.00 C ATOM 1444 CG LEU A 90 0.139 -1.321 3.946 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.194 -2.648 3.207 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.515 -0.255 3.077 1.00 0.00 C ATOM 0 H LEU A 90 1.016 -0.673 7.197 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.987 0.612 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.119 -2.250 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.620 -1.839 5.051 1.00 0.00 H new ATOM 0 HG LEU A 90 1.158 -1.003 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.733 -2.520 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.708 -3.386 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.820 -2.991 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.037 -0.159 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.545 -0.541 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.506 0.699 3.603 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.874 0.378 7.052 1.00 0.00 N ATOM 1459 CA VAL A 91 -3.964 0.315 8.011 1.00 0.00 C ATOM 1460 C VAL A 91 -5.308 0.070 7.322 1.00 0.00 C ATOM 1461 O VAL A 91 -5.464 0.326 6.120 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.041 1.626 8.819 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.345 2.797 7.895 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.068 1.526 9.937 1.00 0.00 C ATOM 0 H VAL A 91 -3.012 1.051 6.298 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.761 -0.522 8.680 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.071 1.799 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.397 3.717 8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.556 2.885 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.300 2.629 7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.099 2.466 10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.051 1.323 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.792 0.717 10.614 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.267 -0.438 8.094 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.611 -0.710 7.594 1.00 0.00 C ATOM 1476 C TYR A 92 -8.557 0.394 8.061 1.00 0.00 C ATOM 1477 O TYR A 92 -9.135 0.309 9.142 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.090 -2.073 8.102 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.181 -2.710 7.268 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.134 -2.681 5.879 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.255 -3.352 7.873 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.125 -3.272 5.118 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.248 -3.947 7.119 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.178 -3.903 5.742 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.164 -4.495 4.989 1.00 0.00 O ATOM 0 H TYR A 92 -6.134 -0.671 9.078 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.598 -0.731 6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.238 -2.751 8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.452 -1.958 9.124 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.309 -2.188 5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.314 -3.386 8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.074 -3.239 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.075 -4.444 7.605 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.832 -4.897 5.583 1.00 0.00 H new ATOM 1495 N THR A 93 -8.713 1.429 7.238 1.00 0.00 N ATOM 1496 CA THR A 93 -9.554 2.573 7.595 1.00 0.00 C ATOM 1497 C THR A 93 -10.666 2.829 6.589 1.00 0.00 C ATOM 1498 O THR A 93 -10.652 2.297 5.491 1.00 0.00 O ATOM 1499 CB THR A 93 -8.709 3.844 7.678 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.543 4.974 7.953 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.965 4.061 6.372 1.00 0.00 C ATOM 0 H THR A 93 -8.270 1.500 6.322 1.00 0.00 H new ATOM 0 HA THR A 93 -10.002 2.326 8.557 1.00 0.00 H new ATOM 0 HB THR A 93 -7.986 3.731 8.486 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.587 5.549 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.366 4.969 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.312 3.209 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.682 4.161 5.557 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.617 3.677 6.972 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.730 4.029 6.098 1.00 0.00 C ATOM 1511 C ARG A 94 -12.491 5.396 5.454 1.00 0.00 C ATOM 1512 O ARG A 94 -12.794 6.427 6.054 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.042 4.056 6.885 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.378 2.736 7.560 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.705 2.808 8.296 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.813 3.122 7.397 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.077 3.233 7.795 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.393 3.054 9.071 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.027 3.522 6.917 1.00 0.00 N ATOM 0 H ARG A 94 -11.638 4.133 7.884 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.800 3.273 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.984 4.837 7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.854 4.326 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.418 1.944 6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.586 2.473 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.898 1.856 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.646 3.566 9.077 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.605 3.264 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.665 2.831 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.363 3.140 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.789 3.660 5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.996 3.607 7.224 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.932 5.425 4.229 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.655 6.676 3.514 1.00 0.00 C ATOM 1535 C PRO A 95 -12.838 7.639 3.540 1.00 0.00 C ATOM 1536 O PRO A 95 -12.664 8.856 3.487 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.379 6.205 2.087 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.823 4.834 2.250 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.520 4.244 3.445 1.00 0.00 C ATOM 0 HA PRO A 95 -10.833 7.232 3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.290 6.196 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.672 6.863 1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.000 4.232 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.744 4.866 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.378 3.640 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.855 3.596 4.017 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.040 7.082 3.624 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.254 7.868 3.657 1.00 0.00 C ATOM 1549 C PHE A 96 -15.417 8.582 4.998 1.00 0.00 C ATOM 1550 O PHE A 96 -15.793 9.754 5.046 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.446 6.954 3.398 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.411 6.291 2.049 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.614 5.179 1.830 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.174 6.781 1.001 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.578 4.567 0.591 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.143 6.174 -0.240 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.343 5.066 -0.445 1.00 0.00 C ATOM 0 H PHE A 96 -14.194 6.075 3.671 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.198 8.632 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.480 6.186 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.365 7.534 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.014 4.786 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.800 7.647 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.953 3.700 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.743 6.565 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.316 4.591 -1.414 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.130 7.869 6.084 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.248 8.435 7.425 1.00 0.00 C ATOM 1569 C GLU A 97 -13.908 8.976 7.914 1.00 0.00 C ATOM 1570 O GLU A 97 -13.723 10.186 8.043 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.765 7.378 8.406 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.117 6.800 8.021 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.207 7.852 7.967 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.851 8.093 9.010 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.418 8.433 6.882 1.00 0.00 O ATOM 0 H GLU A 97 -14.814 6.899 6.062 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.958 9.261 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.038 6.568 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.838 7.821 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.037 6.315 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.396 6.029 8.739 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.979 8.066 8.182 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.666 8.454 8.663 1.00 0.00 C ATOM 1584 C GLY A 98 -10.927 7.295 9.283 1.00 0.00 C ATOM 1585 O GLY A 98 -11.449 6.183 9.357 1.00 0.00 O ATOM 0 H GLY A 98 -13.113 7.061 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.081 8.856 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.770 9.252 9.398 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.710 7.554 9.732 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.890 6.520 10.336 1.00 0.00 C ATOM 1591 C ILE A 99 -8.958 6.579 11.855 1.00 0.00 C ATOM 1592 O ILE A 99 -8.976 7.659 12.447 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.430 6.642 9.878 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.371 7.083 8.412 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.718 5.311 10.068 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.010 7.596 7.987 1.00 0.00 C ATOM 0 H ILE A 99 -9.269 8.473 9.689 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.285 5.559 10.008 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.927 7.397 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.647 6.241 7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.113 7.864 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.682 5.403 9.741 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.743 5.032 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.218 4.543 9.477 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.043 7.890 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.739 8.458 8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.267 6.810 8.120 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.995 5.408 12.481 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.077 5.317 13.932 1.00 0.00 C ATOM 1610 C LYS A 100 -8.199 4.186 14.465 1.00 0.00 C ATOM 1611 O LYS A 100 -7.840 3.268 13.728 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.534 5.108 14.349 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.434 6.283 13.996 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.903 5.951 14.204 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.418 5.004 13.131 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.806 4.546 13.414 1.00 0.00 N ATOM 0 H LYS A 100 -8.969 4.507 12.004 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.709 6.249 14.361 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.917 4.208 13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.576 4.937 15.425 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.165 7.144 14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.269 6.568 12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.039 5.498 15.186 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.490 6.869 14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.391 5.504 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.757 4.140 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.120 3.903 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.828 4.047 14.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.441 5.368 13.454 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.839 4.242 15.760 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.991 3.225 16.398 1.00 0.00 C ATOM 1632 C PRO A 101 -7.646 1.849 16.430 1.00 0.00 C ATOM 1633 O PRO A 101 -6.974 0.827 16.283 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.801 3.755 17.823 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.937 4.694 18.041 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.231 5.303 16.704 1.00 0.00 C ATOM 0 HA PRO A 101 -6.059 3.082 15.852 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.815 2.944 18.551 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.843 4.263 17.930 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.809 4.168 18.431 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.675 5.461 18.770 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.285 5.564 16.603 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.660 6.217 16.543 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.960 1.830 16.625 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.713 0.580 16.681 1.00 0.00 C ATOM 1646 C GLU A 102 -9.678 -0.156 15.342 1.00 0.00 C ATOM 1647 O GLU A 102 -10.267 -1.227 15.197 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.157 0.855 17.081 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.816 1.897 16.207 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.254 2.171 16.600 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.479 3.061 17.448 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.156 1.497 16.060 1.00 0.00 O ATOM 0 H GLU A 102 -9.528 2.668 16.747 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.243 -0.057 17.430 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.728 -0.072 17.027 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.185 1.187 18.119 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.246 2.824 16.263 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.785 1.566 15.169 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.985 0.425 14.369 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.876 -0.169 13.041 1.00 0.00 C ATOM 1661 C ASN A 103 -7.739 -1.185 12.983 1.00 0.00 C ATOM 1662 O ASN A 103 -6.815 -1.143 13.796 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.647 0.925 12.000 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.879 1.781 11.766 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.754 1.852 12.762 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.043 2.369 10.698 1.00 0.00 N flip ATOM 0 H ASN A 103 -8.489 1.310 14.475 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.809 -0.689 12.824 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.824 1.562 12.324 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.344 0.467 11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.345 2.287 9.958 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.877 2.938 10.552 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.815 -2.097 12.017 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.797 -3.115 11.844 1.00 0.00 C ATOM 1675 C GLU A 104 -5.461 -2.490 11.461 1.00 0.00 C ATOM 1676 O GLU A 104 -5.399 -1.321 11.078 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.242 -4.112 10.784 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.837 -5.380 11.369 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.258 -5.186 11.860 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.195 -5.387 11.059 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.432 -4.833 13.045 1.00 0.00 O ATOM 0 H GLU A 104 -8.578 -2.147 11.342 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.662 -3.637 12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.979 -3.638 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.388 -4.374 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.822 -6.166 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.214 -5.721 12.196 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.397 -3.281 11.549 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.056 -2.796 11.238 1.00 0.00 C ATOM 1690 C ARG A 105 -2.299 -3.773 10.338 1.00 0.00 C ATOM 1691 O ARG A 105 -2.707 -4.921 10.166 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.277 -2.587 12.546 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.872 -2.035 12.365 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.892 -0.522 12.306 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.330 0.051 13.573 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.384 1.358 13.815 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.024 2.225 12.877 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.797 1.798 14.995 1.00 0.00 N ATOM 0 H ARG A 105 -4.436 -4.260 11.833 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.150 -1.852 10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.841 -1.907 13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.214 -3.540 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.239 -2.363 13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.435 -2.433 11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.104 -0.152 12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.558 -0.196 11.507 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.611 -0.587 14.317 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.705 1.890 11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.066 3.227 13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.074 1.134 15.718 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.838 2.800 15.180 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.215 -3.280 9.743 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.340 -4.078 8.891 1.00 0.00 C ATOM 1714 C TYR A 106 0.905 -3.264 8.557 1.00 0.00 C ATOM 1715 O TYR A 106 1.098 -2.821 7.425 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.059 -4.538 7.620 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.277 -5.535 6.804 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.357 -6.890 7.085 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.534 -5.128 5.754 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.349 -7.814 6.347 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.245 -6.047 5.007 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.150 -7.389 5.308 1.00 0.00 C ATOM 1723 OH TYR A 106 1.856 -8.310 4.567 1.00 0.00 O ATOM 0 H TYR A 106 -0.918 -2.309 9.840 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.048 -4.980 9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.017 -4.980 7.896 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.276 -3.667 7.001 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.984 -7.227 7.897 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.610 -4.077 5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.276 -8.866 6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.872 -5.716 4.192 1.00 0.00 H new ATOM 0 HH TYR A 106 1.367 -9.159 4.549 1.00 0.00 H new ATOM 1733 N THR A 107 1.736 -3.054 9.573 1.00 0.00 N ATOM 1734 CA THR A 107 2.957 -2.275 9.425 1.00 0.00 C ATOM 1735 C THR A 107 4.157 -3.161 9.106 1.00 0.00 C ATOM 1736 O THR A 107 4.845 -3.636 10.009 1.00 0.00 O ATOM 1737 CB THR A 107 3.257 -1.480 10.710 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.181 -1.637 11.643 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.451 -0.003 10.404 1.00 0.00 C ATOM 0 H THR A 107 1.583 -3.416 10.514 1.00 0.00 H new ATOM 0 HA THR A 107 2.794 -1.589 8.594 1.00 0.00 H new ATOM 0 HB THR A 107 4.179 -1.869 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.379 -1.131 12.458 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.661 0.535 11.328 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.286 0.119 9.715 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.544 0.397 9.950 1.00 0.00 H new ATOM 1747 N LEU A 108 4.409 -3.383 7.821 1.00 0.00 N ATOM 1748 CA LEU A 108 5.537 -4.207 7.410 1.00 0.00 C ATOM 1749 C LEU A 108 6.848 -3.482 7.681 1.00 0.00 C ATOM 1750 O LEU A 108 7.354 -2.747 6.833 1.00 0.00 O ATOM 1751 CB LEU A 108 5.433 -4.579 5.928 1.00 0.00 C ATOM 1752 CG LEU A 108 6.643 -5.326 5.359 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.966 -6.550 6.204 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.390 -5.724 3.914 1.00 0.00 C ATOM 0 H LEU A 108 3.853 -3.007 7.053 1.00 0.00 H new ATOM 0 HA LEU A 108 5.516 -5.127 7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.545 -5.195 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.284 -3.667 5.350 1.00 0.00 H new ATOM 0 HG LEU A 108 7.503 -4.657 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.829 -7.066 5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.192 -6.239 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.109 -7.223 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.260 -6.254 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.516 -6.374 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.212 -4.830 3.316 1.00 0.00 H new ATOM 1766 N HIS A 109 7.389 -3.691 8.875 1.00 0.00 N ATOM 1767 CA HIS A 109 8.638 -3.055 9.273 1.00 0.00 C ATOM 1768 C HIS A 109 9.822 -3.682 8.552 1.00 0.00 C ATOM 1769 O HIS A 109 9.938 -4.905 8.456 1.00 0.00 O ATOM 1770 CB HIS A 109 8.819 -3.140 10.781 1.00 0.00 C ATOM 1771 CG HIS A 109 8.055 -2.096 11.533 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.618 -0.909 11.954 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.762 -2.060 11.934 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.705 -0.189 12.581 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.571 -0.864 12.583 1.00 0.00 N ATOM 0 H HIS A 109 6.981 -4.298 9.586 1.00 0.00 H new ATOM 0 HA HIS A 109 8.592 -2.004 8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.504 -4.126 11.122 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.879 -3.045 11.018 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.020 -2.828 11.774 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.860 0.786 13.018 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.695 -0.549 12.999 1.00 0.00 H new ATOM 1784 N LEU A 110 10.711 -2.824 8.074 1.00 0.00 N ATOM 1785 CA LEU A 110 11.884 -3.253 7.327 1.00 0.00 C ATOM 1786 C LEU A 110 13.117 -2.438 7.704 1.00 0.00 C ATOM 1787 O LEU A 110 13.254 -1.285 7.294 1.00 0.00 O ATOM 1788 CB LEU A 110 11.630 -3.107 5.823 1.00 0.00 C ATOM 1789 CG LEU A 110 10.442 -3.905 5.275 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.237 -3.595 3.799 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.651 -5.398 5.484 1.00 0.00 C ATOM 0 H LEU A 110 10.640 -1.813 8.193 1.00 0.00 H new ATOM 0 HA LEU A 110 12.069 -4.298 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.471 -2.052 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.529 -3.414 5.289 1.00 0.00 H new ATOM 0 HG LEU A 110 9.546 -3.610 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.390 -4.168 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.039 -2.530 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.135 -3.864 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.795 -5.944 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.556 -5.715 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.752 -5.606 6.549 1.00 0.00 H new ATOM 1803 N ASN A 111 14.002 -3.034 8.493 1.00 0.00 N ATOM 1804 CA ASN A 111 15.234 -2.370 8.892 1.00 0.00 C ATOM 1805 C ASN A 111 16.234 -2.462 7.747 1.00 0.00 C ATOM 1806 O ASN A 111 17.270 -3.118 7.857 1.00 0.00 O ATOM 1807 CB ASN A 111 15.808 -3.011 10.157 1.00 0.00 C ATOM 1808 CG ASN A 111 16.976 -2.231 10.730 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.713 -1.566 10.002 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.152 -2.310 12.044 1.00 0.00 N ATOM 0 H ASN A 111 13.889 -3.976 8.869 1.00 0.00 H new ATOM 0 HA ASN A 111 15.027 -1.323 9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.023 -3.087 10.909 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.131 -4.027 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.922 -1.808 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.518 -2.873 12.611 1.00 0.00 H new ATOM 1817 N VAL A 112 15.894 -1.805 6.644 1.00 0.00 N ATOM 1818 CA VAL A 112 16.721 -1.809 5.445 1.00 0.00 C ATOM 1819 C VAL A 112 18.198 -1.626 5.783 1.00 0.00 C ATOM 1820 O VAL A 112 18.599 -0.592 6.317 1.00 0.00 O ATOM 1821 CB VAL A 112 16.293 -0.702 4.462 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.679 -1.076 3.043 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.797 -0.437 4.557 1.00 0.00 C ATOM 0 H VAL A 112 15.039 -1.256 6.557 1.00 0.00 H new ATOM 0 HA VAL A 112 16.580 -2.782 4.974 1.00 0.00 H new ATOM 0 HB VAL A 112 16.816 0.215 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.370 -0.284 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.760 -1.206 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.185 -2.007 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.521 0.348 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.250 -1.349 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.547 -0.121 5.570 1.00 0.00 H new ATOM 1833 N LYS A 113 18.999 -2.638 5.467 1.00 0.00 N ATOM 1834 CA LYS A 113 20.430 -2.594 5.736 1.00 0.00 C ATOM 1835 C LYS A 113 21.169 -1.834 4.638 1.00 0.00 C ATOM 1836 O LYS A 113 21.520 -2.461 3.617 1.00 0.00 O ATOM 1837 CB LYS A 113 20.985 -4.013 5.854 1.00 0.00 C ATOM 1838 CG LYS A 113 20.308 -4.843 6.934 1.00 0.00 C ATOM 1839 CD LYS A 113 20.585 -4.288 8.322 1.00 0.00 C ATOM 1840 CE LYS A 113 19.895 -5.108 9.399 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.160 -4.572 10.762 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.390 -0.616 4.810 1.00 0.00 O ATOM 0 H LYS A 113 18.680 -3.499 5.024 1.00 0.00 H new ATOM 0 HA LYS A 113 20.584 -2.069 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.873 -4.519 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.053 -3.960 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.233 -4.863 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.660 -5.873 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.660 -4.279 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.244 -3.254 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.821 -5.117 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.237 -6.141 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.671 -5.160 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.183 -4.587 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.811 -3.594 10.825 1.00 0.00 H new