USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 60:sc= 0.298 USER MOD Set 1.2: B 13 ASN : amide:sc= -1.62 K(o=-1.3,f=-8.4!) USER MOD Set 2.1: A 76 SER OG : rot 120:sc= 0.251 USER MOD Set 2.2: A 80 CYS SG : rot -60:sc= -0.724 USER MOD Set 2.3: A 82 THR OG1 : rot 145:sc= 0.707 USER MOD Set 3.1: A 41 THR OG1 : rot 115:sc= 1.1 USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 1.03 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -0.44 K(o=-0.59,f=-7.2!) USER MOD Set 4.2: A 19 THR OG1 : rot -17:sc= -0.152 USER MOD Set 4.3: A 20 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.547 K(o=-0.55,f=-2.9!) USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= 1.13 (180deg=-1.53) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00863 USER MOD Single : A 25 ASN : amide:sc= -0.786 K(o=-0.79,f=-1.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -159:sc= -0.561 (180deg=-1.11) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 48 HIS : no HD1:sc= 0.17 K(o=0.17,f=-0.62) USER MOD Single : A 59 TYR OH : rot 146:sc= 0.386 USER MOD Single : A 61 CYS SG : rot -55:sc= 0.512 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.65) USER MOD Single : A 73 SER OG : rot 170:sc=-0.00336 USER MOD Single : A 81 GLN : amide:sc=-0.000644 X(o=-0.00064,f=-0.29) USER MOD Single : A 84 GLN : amide:sc= -2.56! C(o=-2.6!,f=-5.6!) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.0492 (180deg=0.0443) USER MOD Single : A 91 CYS SG : rot -170:sc= -2.67 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.3!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=8.7e-05) USER MOD Single : A 105 MET CE :methyl 173:sc= 0 (180deg=-0.00922) USER MOD Single : B 6 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.0016) USER MOD Single : B 9 CYS SG : rot 180:sc= -0.218 USER MOD Single : B 11 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.1) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 17.487 13.259 -6.814 1.00 0.00 N ATOM 163 CA PRO A 14 16.732 12.760 -7.968 1.00 0.00 C ATOM 164 C PRO A 14 15.408 12.122 -7.562 1.00 0.00 C ATOM 165 O PRO A 14 15.299 11.523 -6.492 1.00 0.00 O ATOM 166 CB PRO A 14 17.667 11.712 -8.577 1.00 0.00 C ATOM 167 CG PRO A 14 18.520 11.260 -7.442 1.00 0.00 C ATOM 168 CD PRO A 14 18.697 12.461 -6.554 1.00 0.00 C ATOM 0 HA PRO A 14 16.462 13.561 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 14 17.106 10.882 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 14 18.269 12.137 -9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 14 18.047 10.441 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 14 19.482 10.893 -7.799 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.773 12.177 -5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.604 13.013 -6.801 1.00 0.00 H new ATOM 176 N ASP A 15 14.405 12.254 -8.423 1.00 0.00 N ATOM 177 CA ASP A 15 13.088 11.689 -8.155 1.00 0.00 C ATOM 178 C ASP A 15 13.002 10.250 -8.655 1.00 0.00 C ATOM 179 O ASP A 15 11.912 9.707 -8.829 1.00 0.00 O ATOM 180 CB ASP A 15 12.001 12.537 -8.816 1.00 0.00 C ATOM 181 CG ASP A 15 12.363 14.009 -8.863 1.00 0.00 C ATOM 182 OD1 ASP A 15 12.844 14.534 -7.837 1.00 0.00 O ATOM 183 OD2 ASP A 15 12.166 14.635 -9.925 1.00 0.00 O ATOM 0 H ASP A 15 14.479 12.747 -9.313 1.00 0.00 H new ATOM 0 HA ASP A 15 12.933 11.690 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.829 12.176 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.066 12.413 -8.270 1.00 0.00 H new ATOM 188 N ASN A 16 14.159 9.639 -8.885 1.00 0.00 N ATOM 189 CA ASN A 16 14.215 8.263 -9.367 1.00 0.00 C ATOM 190 C ASN A 16 15.125 7.414 -8.485 1.00 0.00 C ATOM 191 O ASN A 16 15.430 6.267 -8.812 1.00 0.00 O ATOM 192 CB ASN A 16 14.710 8.228 -10.814 1.00 0.00 C ATOM 193 CG ASN A 16 15.963 9.057 -11.017 1.00 0.00 C ATOM 194 OD1 ASN A 16 16.946 8.904 -10.291 1.00 0.00 O ATOM 195 ND2 ASN A 16 15.934 9.940 -12.008 1.00 0.00 N ATOM 0 H ASN A 16 15.071 10.074 -8.746 1.00 0.00 H new ATOM 0 HA ASN A 16 13.208 7.848 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.910 7.196 -11.102 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.924 8.596 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.748 10.526 -12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.098 10.033 -12.584 1.00 0.00 H new ATOM 202 N HIS A 17 15.557 7.986 -7.366 1.00 0.00 N ATOM 203 CA HIS A 17 16.432 7.282 -6.435 1.00 0.00 C ATOM 204 C HIS A 17 15.886 5.892 -6.122 1.00 0.00 C ATOM 205 O HIS A 17 14.701 5.713 -5.839 1.00 0.00 O ATOM 206 CB HIS A 17 16.589 8.084 -5.143 1.00 0.00 C ATOM 207 CG HIS A 17 17.968 8.020 -4.563 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.413 6.965 -3.793 1.00 0.00 N ATOM 209 CD2 HIS A 17 19.004 8.887 -4.644 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.662 7.188 -3.425 1.00 0.00 C ATOM 211 NE2 HIS A 17 20.045 8.347 -3.929 1.00 0.00 N ATOM 0 H HIS A 17 15.315 8.935 -7.082 1.00 0.00 H new ATOM 0 HA HIS A 17 17.409 7.172 -6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.334 9.126 -5.338 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.876 7.714 -4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 17 19.011 9.829 -5.173 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.267 6.533 -2.815 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.964 8.772 -3.807 1.00 0.00 H new ATOM 220 N PRO A 18 16.768 4.883 -6.175 1.00 0.00 N ATOM 221 CA PRO A 18 16.397 3.492 -5.901 1.00 0.00 C ATOM 222 C PRO A 18 16.070 3.258 -4.430 1.00 0.00 C ATOM 223 O PRO A 18 15.139 2.524 -4.098 1.00 0.00 O ATOM 224 CB PRO A 18 17.648 2.705 -6.302 1.00 0.00 C ATOM 225 CG PRO A 18 18.768 3.677 -6.158 1.00 0.00 C ATOM 226 CD PRO A 18 18.196 5.023 -6.507 1.00 0.00 C ATOM 0 HA PRO A 18 15.499 3.196 -6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.792 1.836 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.573 2.336 -7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.161 3.672 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.595 3.421 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.666 5.821 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.342 5.261 -7.561 1.00 0.00 H new ATOM 234 N THR A 19 16.842 3.888 -3.549 1.00 0.00 N ATOM 235 CA THR A 19 16.635 3.749 -2.114 1.00 0.00 C ATOM 236 C THR A 19 15.569 4.717 -1.615 1.00 0.00 C ATOM 237 O THR A 19 14.755 4.374 -0.758 1.00 0.00 O ATOM 238 CB THR A 19 17.940 3.993 -1.331 1.00 0.00 C ATOM 239 OG1 THR A 19 18.444 5.302 -1.616 1.00 0.00 O ATOM 240 CG2 THR A 19 18.988 2.951 -1.690 1.00 0.00 C ATOM 0 H THR A 19 17.617 4.500 -3.806 1.00 0.00 H new ATOM 0 HA THR A 19 16.302 2.726 -1.942 1.00 0.00 H new ATOM 0 HB THR A 19 17.720 3.913 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.024 5.644 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.900 3.143 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.612 1.958 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.204 3.004 -2.757 1.00 0.00 H new ATOM 248 N LYS A 20 15.577 5.930 -2.158 1.00 0.00 N ATOM 249 CA LYS A 20 14.609 6.949 -1.771 1.00 0.00 C ATOM 250 C LYS A 20 13.453 7.007 -2.764 1.00 0.00 C ATOM 251 O LYS A 20 13.598 6.621 -3.924 1.00 0.00 O ATOM 252 CB LYS A 20 15.287 8.318 -1.680 1.00 0.00 C ATOM 253 CG LYS A 20 15.874 8.617 -0.312 1.00 0.00 C ATOM 254 CD LYS A 20 17.301 8.110 -0.194 1.00 0.00 C ATOM 255 CE LYS A 20 18.306 9.169 -0.622 1.00 0.00 C ATOM 256 NZ LYS A 20 19.710 8.700 -0.460 1.00 0.00 N ATOM 0 H LYS A 20 16.244 6.231 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 20 14.210 6.682 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.080 8.371 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.561 9.091 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.853 9.692 -0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.258 8.154 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.499 7.814 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.424 7.220 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.130 9.436 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.155 10.073 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.344 9.298 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.983 8.760 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.786 7.714 -0.781 1.00 0.00 H new ATOM 270 N PHE A 21 12.306 7.494 -2.303 1.00 0.00 N ATOM 271 CA PHE A 21 11.125 7.603 -3.151 1.00 0.00 C ATOM 272 C PHE A 21 10.205 8.718 -2.663 1.00 0.00 C ATOM 273 O PHE A 21 9.518 8.574 -1.652 1.00 0.00 O ATOM 274 CB PHE A 21 10.365 6.275 -3.178 1.00 0.00 C ATOM 275 CG PHE A 21 11.159 5.142 -3.762 1.00 0.00 C ATOM 276 CD1 PHE A 21 11.122 4.882 -5.123 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.941 4.336 -2.951 1.00 0.00 C ATOM 278 CE1 PHE A 21 11.851 3.840 -5.663 1.00 0.00 C ATOM 279 CE2 PHE A 21 12.672 3.292 -3.485 1.00 0.00 C ATOM 280 CZ PHE A 21 12.628 3.044 -4.843 1.00 0.00 C ATOM 0 H PHE A 21 12.169 7.820 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 21 11.456 7.845 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.068 6.015 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.449 6.401 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.517 5.501 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.980 4.526 -1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.814 3.648 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.277 2.671 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.200 2.230 -5.263 1.00 0.00 H new ATOM 290 N LYS A 22 10.199 9.832 -3.388 1.00 0.00 N ATOM 291 CA LYS A 22 9.365 10.973 -3.032 1.00 0.00 C ATOM 292 C LYS A 22 7.888 10.594 -3.051 1.00 0.00 C ATOM 293 O LYS A 22 7.365 10.144 -4.071 1.00 0.00 O ATOM 294 CB LYS A 22 9.617 12.136 -3.994 1.00 0.00 C ATOM 295 CG LYS A 22 10.808 12.996 -3.610 1.00 0.00 C ATOM 296 CD LYS A 22 11.447 13.641 -4.828 1.00 0.00 C ATOM 297 CE LYS A 22 12.939 13.861 -4.625 1.00 0.00 C ATOM 298 NZ LYS A 22 13.683 12.574 -4.542 1.00 0.00 N ATOM 0 H LYS A 22 10.763 9.968 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 22 9.629 11.283 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.774 11.739 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.726 12.762 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.489 13.771 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.547 12.385 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.287 13.009 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.962 14.596 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.334 14.456 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.101 14.434 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.204 12.532 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.012 11.781 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.354 12.509 -5.334 1.00 0.00 H new ATOM 312 N VAL A 23 7.218 10.781 -1.918 1.00 0.00 N ATOM 313 CA VAL A 23 5.800 10.462 -1.806 1.00 0.00 C ATOM 314 C VAL A 23 4.995 11.681 -1.369 1.00 0.00 C ATOM 315 O VAL A 23 5.545 12.764 -1.171 1.00 0.00 O ATOM 316 CB VAL A 23 5.560 9.316 -0.806 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.197 8.028 -1.306 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.097 9.687 0.568 1.00 0.00 C ATOM 0 H VAL A 23 7.635 11.152 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 23 5.467 10.147 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 23 4.486 9.152 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.017 7.230 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.761 7.755 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.271 8.175 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.919 8.866 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.168 9.879 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.590 10.582 0.927 1.00 0.00 H new ATOM 328 N THR A 24 3.687 11.496 -1.220 1.00 0.00 N ATOM 329 CA THR A 24 2.805 12.580 -0.806 1.00 0.00 C ATOM 330 C THR A 24 1.600 12.047 -0.040 1.00 0.00 C ATOM 331 O THR A 24 0.695 11.452 -0.624 1.00 0.00 O ATOM 332 CB THR A 24 2.310 13.394 -2.017 1.00 0.00 C ATOM 333 OG1 THR A 24 3.425 13.948 -2.724 1.00 0.00 O ATOM 334 CG2 THR A 24 1.379 14.512 -1.573 1.00 0.00 C ATOM 0 H THR A 24 3.215 10.606 -1.380 1.00 0.00 H new ATOM 0 HA THR A 24 3.388 13.230 -0.153 1.00 0.00 H new ATOM 0 HB THR A 24 1.759 12.724 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.102 14.462 -3.493 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.042 15.073 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.517 14.085 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.910 15.180 -0.895 1.00 0.00 H new ATOM 342 N ASN A 25 1.595 12.264 1.271 1.00 0.00 N ATOM 343 CA ASN A 25 0.499 11.804 2.118 1.00 0.00 C ATOM 344 C ASN A 25 -0.824 12.425 1.680 1.00 0.00 C ATOM 345 O ASN A 25 -0.941 13.645 1.561 1.00 0.00 O ATOM 346 CB ASN A 25 0.779 12.151 3.581 1.00 0.00 C ATOM 347 CG ASN A 25 -0.425 11.910 4.472 1.00 0.00 C ATOM 348 OD1 ASN A 25 -0.823 12.781 5.246 1.00 0.00 O ATOM 349 ND2 ASN A 25 -1.010 10.723 4.367 1.00 0.00 N ATOM 0 H ASN A 25 2.337 12.755 1.770 1.00 0.00 H new ATOM 0 HA ASN A 25 0.423 10.721 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.618 11.554 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.078 13.197 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.824 10.503 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.646 10.031 3.712 1.00 0.00 H new ATOM 356 N VAL A 26 -1.819 11.576 1.441 1.00 0.00 N ATOM 357 CA VAL A 26 -3.135 12.040 1.019 1.00 0.00 C ATOM 358 C VAL A 26 -4.235 11.433 1.881 1.00 0.00 C ATOM 359 O VAL A 26 -3.991 10.508 2.656 1.00 0.00 O ATOM 360 CB VAL A 26 -3.405 11.694 -0.458 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.315 12.269 -1.349 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.513 10.187 -0.639 1.00 0.00 C ATOM 0 H VAL A 26 -1.738 10.563 1.533 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.141 13.123 1.138 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.354 12.142 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.523 12.014 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.289 13.353 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.350 11.852 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.704 9.959 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.580 9.716 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.332 9.805 -0.030 1.00 0.00 H new ATOM 372 N ASP A 27 -5.447 11.959 1.742 1.00 0.00 N ATOM 373 CA ASP A 27 -6.587 11.468 2.507 1.00 0.00 C ATOM 374 C ASP A 27 -7.408 10.480 1.685 1.00 0.00 C ATOM 375 O ASP A 27 -7.022 10.107 0.577 1.00 0.00 O ATOM 376 CB ASP A 27 -7.469 12.635 2.955 1.00 0.00 C ATOM 377 CG ASP A 27 -8.427 13.086 1.870 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.991 13.204 0.706 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.612 13.322 2.185 1.00 0.00 O ATOM 0 H ASP A 27 -5.665 12.726 1.106 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.206 10.952 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.037 12.340 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.837 13.473 3.249 1.00 0.00 H new ATOM 384 N ASP A 28 -8.541 10.058 2.236 1.00 0.00 N ATOM 385 CA ASP A 28 -9.417 9.113 1.554 1.00 0.00 C ATOM 386 C ASP A 28 -9.765 9.607 0.153 1.00 0.00 C ATOM 387 O ASP A 28 -9.565 8.898 -0.832 1.00 0.00 O ATOM 388 CB ASP A 28 -10.696 8.894 2.364 1.00 0.00 C ATOM 389 CG ASP A 28 -11.089 10.119 3.166 1.00 0.00 C ATOM 390 OD1 ASP A 28 -11.436 11.147 2.547 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.050 10.050 4.412 1.00 0.00 O ATOM 0 H ASP A 28 -8.874 10.356 3.153 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.887 8.165 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.510 8.629 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.555 8.051 3.040 1.00 0.00 H new ATOM 396 N GLU A 29 -10.287 10.827 0.075 1.00 0.00 N ATOM 397 CA GLU A 29 -10.664 11.414 -1.206 1.00 0.00 C ATOM 398 C GLU A 29 -9.479 11.434 -2.166 1.00 0.00 C ATOM 399 O GLU A 29 -9.601 11.051 -3.328 1.00 0.00 O ATOM 400 CB GLU A 29 -11.195 12.835 -1.003 1.00 0.00 C ATOM 401 CG GLU A 29 -12.132 12.972 0.185 1.00 0.00 C ATOM 402 CD GLU A 29 -13.105 14.125 0.030 1.00 0.00 C ATOM 403 OE1 GLU A 29 -12.699 15.280 0.278 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.271 13.872 -0.337 1.00 0.00 O ATOM 0 H GLU A 29 -10.458 11.427 0.882 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.451 10.798 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.352 13.513 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.718 13.150 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.691 12.045 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.545 13.116 1.092 1.00 0.00 H new ATOM 411 N GLY A 30 -8.330 11.884 -1.670 1.00 0.00 N ATOM 412 CA GLY A 30 -7.139 11.947 -2.496 1.00 0.00 C ATOM 413 C GLY A 30 -6.426 13.280 -2.387 1.00 0.00 C ATOM 414 O GLY A 30 -5.471 13.544 -3.117 1.00 0.00 O ATOM 0 H GLY A 30 -8.203 12.206 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.456 11.149 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.412 11.769 -3.536 1.00 0.00 H new ATOM 418 N VAL A 31 -6.893 14.125 -1.473 1.00 0.00 N ATOM 419 CA VAL A 31 -6.294 15.439 -1.271 1.00 0.00 C ATOM 420 C VAL A 31 -4.878 15.319 -0.720 1.00 0.00 C ATOM 421 O VAL A 31 -4.552 14.358 -0.024 1.00 0.00 O ATOM 422 CB VAL A 31 -7.137 16.298 -0.308 1.00 0.00 C ATOM 423 CG1 VAL A 31 -6.957 17.777 -0.615 1.00 0.00 C ATOM 424 CG2 VAL A 31 -8.604 15.903 -0.388 1.00 0.00 C ATOM 0 H VAL A 31 -7.684 13.923 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.261 15.925 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.791 16.118 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.560 18.368 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.907 18.047 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.275 17.978 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.185 16.519 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.966 16.053 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.714 14.854 -0.115 1.00 0.00 H new ATOM 434 N GLU A 32 -4.041 16.303 -1.035 1.00 0.00 N ATOM 435 CA GLU A 32 -2.658 16.307 -0.571 1.00 0.00 C ATOM 436 C GLU A 32 -2.513 17.139 0.700 1.00 0.00 C ATOM 437 O GLU A 32 -2.685 18.359 0.679 1.00 0.00 O ATOM 438 CB GLU A 32 -1.733 16.853 -1.660 1.00 0.00 C ATOM 439 CG GLU A 32 -1.952 16.214 -3.021 1.00 0.00 C ATOM 440 CD GLU A 32 -1.513 17.110 -4.163 1.00 0.00 C ATOM 441 OE1 GLU A 32 -2.296 18.000 -4.556 1.00 0.00 O ATOM 442 OE2 GLU A 32 -0.385 16.920 -4.665 1.00 0.00 O ATOM 0 H GLU A 32 -4.296 17.107 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.374 15.279 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.882 17.929 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.698 16.697 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.402 15.274 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.008 15.972 -3.139 1.00 0.00 H new ATOM 449 N LEU A 33 -2.197 16.472 1.804 1.00 0.00 N ATOM 450 CA LEU A 33 -2.029 17.149 3.085 1.00 0.00 C ATOM 451 C LEU A 33 -0.591 17.625 3.265 1.00 0.00 C ATOM 452 O LEU A 33 -0.328 18.824 3.343 1.00 0.00 O ATOM 453 CB LEU A 33 -2.417 16.215 4.233 1.00 0.00 C ATOM 454 CG LEU A 33 -3.681 15.381 4.021 1.00 0.00 C ATOM 455 CD1 LEU A 33 -3.789 14.298 5.083 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.916 16.270 4.036 1.00 0.00 C ATOM 0 H LEU A 33 -2.052 15.463 1.838 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.684 18.020 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.585 15.536 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.548 16.814 5.134 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.617 14.900 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.694 13.714 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.919 13.643 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.831 14.759 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.806 15.659 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.986 16.780 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.842 17.009 3.238 1.00 0.00 H new ATOM 468 N GLY A 34 0.337 16.675 3.329 1.00 0.00 N ATOM 469 CA GLY A 34 1.738 17.017 3.497 1.00 0.00 C ATOM 470 C GLY A 34 2.643 16.224 2.575 1.00 0.00 C ATOM 471 O GLY A 34 2.339 15.084 2.226 1.00 0.00 O ATOM 0 H GLY A 34 0.144 15.675 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.874 18.082 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.031 16.838 4.531 1.00 0.00 H new ATOM 475 N SER A 35 3.757 16.830 2.178 1.00 0.00 N ATOM 476 CA SER A 35 4.707 16.176 1.286 1.00 0.00 C ATOM 477 C SER A 35 5.853 15.551 2.076 1.00 0.00 C ATOM 478 O SER A 35 6.307 16.105 3.076 1.00 0.00 O ATOM 479 CB SER A 35 5.259 17.178 0.270 1.00 0.00 C ATOM 480 OG SER A 35 6.043 18.171 0.908 1.00 0.00 O ATOM 0 H SER A 35 4.024 17.773 2.460 1.00 0.00 H new ATOM 0 HA SER A 35 4.181 15.383 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.863 16.654 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.435 17.649 -0.266 1.00 0.00 H new ATOM 0 HG SER A 35 6.386 18.798 0.237 1.00 0.00 H new ATOM 486 N GLY A 36 6.316 14.391 1.619 1.00 0.00 N ATOM 487 CA GLY A 36 7.404 13.709 2.294 1.00 0.00 C ATOM 488 C GLY A 36 8.097 12.698 1.402 1.00 0.00 C ATOM 489 O GLY A 36 7.625 12.401 0.304 1.00 0.00 O ATOM 0 H GLY A 36 5.957 13.912 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.132 14.444 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.018 13.204 3.179 1.00 0.00 H new ATOM 493 N VAL A 37 9.221 12.168 1.873 1.00 0.00 N ATOM 494 CA VAL A 37 9.981 11.184 1.110 1.00 0.00 C ATOM 495 C VAL A 37 10.207 9.914 1.922 1.00 0.00 C ATOM 496 O VAL A 37 10.738 9.961 3.031 1.00 0.00 O ATOM 497 CB VAL A 37 11.344 11.748 0.668 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.123 10.707 -0.121 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.157 13.018 -0.148 1.00 0.00 C ATOM 0 H VAL A 37 9.626 12.403 2.779 1.00 0.00 H new ATOM 0 HA VAL A 37 9.391 10.945 0.225 1.00 0.00 H new ATOM 0 HB VAL A 37 11.919 11.998 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.083 11.124 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.290 9.828 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.555 10.422 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.131 13.402 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.562 12.797 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.644 13.766 0.456 1.00 0.00 H new ATOM 509 N MET A 38 9.800 8.780 1.362 1.00 0.00 N ATOM 510 CA MET A 38 9.960 7.496 2.034 1.00 0.00 C ATOM 511 C MET A 38 11.282 6.840 1.646 1.00 0.00 C ATOM 512 O MET A 38 11.606 6.728 0.465 1.00 0.00 O ATOM 513 CB MET A 38 8.796 6.566 1.687 1.00 0.00 C ATOM 514 CG MET A 38 8.740 5.315 2.548 1.00 0.00 C ATOM 515 SD MET A 38 7.828 5.568 4.083 1.00 0.00 S ATOM 516 CE MET A 38 6.144 5.605 3.475 1.00 0.00 C ATOM 0 H MET A 38 9.357 8.724 0.445 1.00 0.00 H new ATOM 0 HA MET A 38 9.965 7.675 3.109 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.860 7.114 1.795 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.875 6.273 0.640 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.273 4.509 1.981 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.755 4.994 2.782 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.506 6.110 4.200 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.111 6.142 2.527 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.788 4.585 3.327 1.00 0.00 H new ATOM 526 N GLU A 39 12.041 6.410 2.650 1.00 0.00 N ATOM 527 CA GLU A 39 13.328 5.767 2.412 1.00 0.00 C ATOM 528 C GLU A 39 13.295 4.306 2.850 1.00 0.00 C ATOM 529 O GLU A 39 12.840 3.985 3.949 1.00 0.00 O ATOM 530 CB GLU A 39 14.439 6.510 3.157 1.00 0.00 C ATOM 531 CG GLU A 39 15.837 6.040 2.790 1.00 0.00 C ATOM 532 CD GLU A 39 16.922 6.878 3.437 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.712 8.099 3.598 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.981 6.314 3.783 1.00 0.00 O ATOM 0 H GLU A 39 11.787 6.495 3.634 1.00 0.00 H new ATOM 0 HA GLU A 39 13.531 5.803 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.356 7.576 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.292 6.385 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.958 5.000 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.955 6.073 1.707 1.00 0.00 H new ATOM 541 N LEU A 40 13.780 3.424 1.983 1.00 0.00 N ATOM 542 CA LEU A 40 13.806 1.995 2.279 1.00 0.00 C ATOM 543 C LEU A 40 15.176 1.573 2.802 1.00 0.00 C ATOM 544 O LEU A 40 16.063 1.209 2.029 1.00 0.00 O ATOM 545 CB LEU A 40 13.454 1.189 1.028 1.00 0.00 C ATOM 546 CG LEU A 40 11.968 0.910 0.805 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.226 2.198 0.480 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.777 -0.112 -0.306 1.00 0.00 C ATOM 0 H LEU A 40 14.160 3.673 1.070 1.00 0.00 H new ATOM 0 HA LEU A 40 13.065 1.795 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.838 1.721 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.979 0.235 1.075 1.00 0.00 H new ATOM 0 HG LEU A 40 11.554 0.498 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.169 1.980 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.334 2.899 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.643 2.639 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.713 -0.298 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.207 0.272 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.274 -1.043 -0.033 1.00 0.00 H new ATOM 560 N THR A 41 15.341 1.621 4.120 1.00 0.00 N ATOM 561 CA THR A 41 16.601 1.243 4.747 1.00 0.00 C ATOM 562 C THR A 41 16.455 -0.053 5.536 1.00 0.00 C ATOM 563 O THR A 41 15.480 -0.241 6.263 1.00 0.00 O ATOM 564 CB THR A 41 17.115 2.348 5.688 1.00 0.00 C ATOM 565 OG1 THR A 41 16.065 2.774 6.563 1.00 0.00 O ATOM 566 CG2 THR A 41 17.633 3.538 4.893 1.00 0.00 C ATOM 0 H THR A 41 14.617 1.918 4.774 1.00 0.00 H new ATOM 0 HA THR A 41 17.322 1.097 3.943 1.00 0.00 H new ATOM 0 HB THR A 41 17.936 1.940 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 41 16.296 2.544 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.991 4.306 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.452 3.217 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.828 3.945 4.281 1.00 0.00 H new ATOM 574 N GLN A 42 17.431 -0.943 5.389 1.00 0.00 N ATOM 575 CA GLN A 42 17.410 -2.222 6.090 1.00 0.00 C ATOM 576 C GLN A 42 16.862 -2.059 7.503 1.00 0.00 C ATOM 577 O GLN A 42 16.298 -2.994 8.072 1.00 0.00 O ATOM 578 CB GLN A 42 18.816 -2.822 6.142 1.00 0.00 C ATOM 579 CG GLN A 42 19.318 -3.315 4.794 1.00 0.00 C ATOM 580 CD GLN A 42 20.420 -4.348 4.923 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.192 -4.332 5.882 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.499 -5.254 3.956 1.00 0.00 N ATOM 0 H GLN A 42 18.246 -0.802 4.791 1.00 0.00 H new ATOM 0 HA GLN A 42 16.754 -2.898 5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.508 -2.072 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.822 -3.652 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.486 -3.745 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.686 -2.467 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.838 -5.230 3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.221 -5.974 3.990 1.00 0.00 H new ATOM 591 N SER A 43 17.030 -0.866 8.065 1.00 0.00 N ATOM 592 CA SER A 43 16.555 -0.583 9.414 1.00 0.00 C ATOM 593 C SER A 43 15.031 -0.530 9.453 1.00 0.00 C ATOM 594 O SER A 43 14.389 -1.341 10.120 1.00 0.00 O ATOM 595 CB SER A 43 17.136 0.742 9.914 1.00 0.00 C ATOM 596 OG SER A 43 16.955 1.771 8.956 1.00 0.00 O ATOM 0 H SER A 43 17.491 -0.080 7.607 1.00 0.00 H new ATOM 0 HA SER A 43 16.890 -1.388 10.068 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.655 1.024 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.198 0.620 10.126 1.00 0.00 H new ATOM 0 HG SER A 43 17.333 2.608 9.299 1.00 0.00 H new ATOM 602 N GLU A 44 14.459 0.431 8.734 1.00 0.00 N ATOM 603 CA GLU A 44 13.011 0.590 8.688 1.00 0.00 C ATOM 604 C GLU A 44 12.614 1.675 7.691 1.00 0.00 C ATOM 605 O GLU A 44 13.468 2.272 7.033 1.00 0.00 O ATOM 606 CB GLU A 44 12.468 0.935 10.076 1.00 0.00 C ATOM 607 CG GLU A 44 13.220 2.064 10.760 1.00 0.00 C ATOM 608 CD GLU A 44 12.955 2.122 12.252 1.00 0.00 C ATOM 609 OE1 GLU A 44 11.885 1.644 12.683 1.00 0.00 O ATOM 610 OE2 GLU A 44 13.817 2.646 12.989 1.00 0.00 O ATOM 0 H GLU A 44 14.976 1.110 8.176 1.00 0.00 H new ATOM 0 HA GLU A 44 12.578 -0.356 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.417 1.211 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.512 0.046 10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.289 1.939 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.934 3.013 10.307 1.00 0.00 H new ATOM 617 N LEU A 45 11.314 1.926 7.584 1.00 0.00 N ATOM 618 CA LEU A 45 10.803 2.939 6.668 1.00 0.00 C ATOM 619 C LEU A 45 10.720 4.300 7.352 1.00 0.00 C ATOM 620 O LEU A 45 9.870 4.522 8.215 1.00 0.00 O ATOM 621 CB LEU A 45 9.424 2.533 6.145 1.00 0.00 C ATOM 622 CG LEU A 45 9.411 1.672 4.882 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.025 1.095 4.643 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.869 2.484 3.679 1.00 0.00 C ATOM 0 H LEU A 45 10.594 1.442 8.121 1.00 0.00 H new ATOM 0 HA LEU A 45 11.494 3.017 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.903 1.992 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.851 3.439 5.948 1.00 0.00 H new ATOM 0 HG LEU A 45 10.106 0.844 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.036 0.485 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.736 0.478 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.308 1.907 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.854 1.855 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.199 3.332 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.883 2.847 3.850 1.00 0.00 H new ATOM 636 N VAL A 46 11.606 5.209 6.959 1.00 0.00 N ATOM 637 CA VAL A 46 11.631 6.550 7.532 1.00 0.00 C ATOM 638 C VAL A 46 11.143 7.586 6.526 1.00 0.00 C ATOM 639 O VAL A 46 11.355 7.447 5.321 1.00 0.00 O ATOM 640 CB VAL A 46 13.047 6.934 8.001 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.047 8.323 8.619 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.580 5.903 8.985 1.00 0.00 C ATOM 0 H VAL A 46 12.316 5.042 6.246 1.00 0.00 H new ATOM 0 HA VAL A 46 10.962 6.539 8.392 1.00 0.00 H new ATOM 0 HB VAL A 46 13.706 6.949 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.056 8.577 8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.711 9.050 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.374 8.340 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.581 6.190 9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.921 5.853 9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.620 4.926 8.503 1.00 0.00 H new ATOM 652 N LEU A 47 10.487 8.627 7.029 1.00 0.00 N ATOM 653 CA LEU A 47 9.968 9.689 6.174 1.00 0.00 C ATOM 654 C LEU A 47 10.766 10.975 6.359 1.00 0.00 C ATOM 655 O LEU A 47 11.308 11.234 7.434 1.00 0.00 O ATOM 656 CB LEU A 47 8.491 9.943 6.484 1.00 0.00 C ATOM 657 CG LEU A 47 7.497 8.957 5.868 1.00 0.00 C ATOM 658 CD1 LEU A 47 6.102 9.185 6.429 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.491 9.083 4.352 1.00 0.00 C ATOM 0 H LEU A 47 10.302 8.758 8.024 1.00 0.00 H new ATOM 0 HA LEU A 47 10.066 9.368 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.360 9.932 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.236 10.946 6.143 1.00 0.00 H new ATOM 0 HG LEU A 47 7.810 7.946 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.408 8.475 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.117 9.043 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.780 10.201 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.778 8.374 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.203 10.096 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.487 8.869 3.965 1.00 0.00 H new ATOM 671 N HIS A 48 10.833 11.781 5.303 1.00 0.00 N ATOM 672 CA HIS A 48 11.563 13.042 5.349 1.00 0.00 C ATOM 673 C HIS A 48 10.644 14.214 5.017 1.00 0.00 C ATOM 674 O HIS A 48 9.925 14.189 4.017 1.00 0.00 O ATOM 675 CB HIS A 48 12.740 13.011 4.374 1.00 0.00 C ATOM 676 CG HIS A 48 13.844 12.090 4.797 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.640 12.327 5.898 1.00 0.00 N ATOM 678 CD2 HIS A 48 14.280 10.927 4.262 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.520 11.349 6.020 1.00 0.00 C ATOM 680 NE2 HIS A 48 15.322 10.486 5.040 1.00 0.00 N ATOM 0 H HIS A 48 10.390 11.582 4.406 1.00 0.00 H new ATOM 0 HA HIS A 48 11.943 13.176 6.362 1.00 0.00 H new ATOM 0 HB2 HIS A 48 12.380 12.706 3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.140 14.019 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.883 10.436 3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.273 11.269 6.790 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.856 9.631 4.886 1.00 0.00 H new ATOM 689 N LEU A 49 10.671 15.239 5.862 1.00 0.00 N ATOM 690 CA LEU A 49 9.840 16.420 5.659 1.00 0.00 C ATOM 691 C LEU A 49 10.681 17.692 5.701 1.00 0.00 C ATOM 692 O LEU A 49 11.897 17.639 5.891 1.00 0.00 O ATOM 693 CB LEU A 49 8.743 16.486 6.723 1.00 0.00 C ATOM 694 CG LEU A 49 7.713 15.356 6.696 1.00 0.00 C ATOM 695 CD1 LEU A 49 8.203 14.167 7.508 1.00 0.00 C ATOM 696 CD2 LEU A 49 6.371 15.845 7.220 1.00 0.00 C ATOM 0 H LEU A 49 11.260 15.276 6.694 1.00 0.00 H new ATOM 0 HA LEU A 49 9.379 16.343 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.217 16.495 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.216 17.434 6.614 1.00 0.00 H new ATOM 0 HG LEU A 49 7.582 15.035 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.457 13.373 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.140 13.801 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.364 14.474 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.650 15.028 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.486 16.194 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.014 16.664 6.596 1.00 0.00 H new ATOM 789 N ALA A 54 10.292 13.725 11.852 1.00 0.00 N ATOM 790 CA ALA A 54 10.340 12.567 10.968 1.00 0.00 C ATOM 791 C ALA A 54 9.572 11.391 11.561 1.00 0.00 C ATOM 792 O ALA A 54 9.313 11.349 12.764 1.00 0.00 O ATOM 793 CB ALA A 54 11.783 12.172 10.692 1.00 0.00 C ATOM 0 HA ALA A 54 9.864 12.841 10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.803 11.306 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.303 13.004 10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.278 11.923 11.631 1.00 0.00 H new ATOM 799 N VAL A 55 9.210 10.436 10.710 1.00 0.00 N ATOM 800 CA VAL A 55 8.472 9.259 11.151 1.00 0.00 C ATOM 801 C VAL A 55 9.175 7.976 10.721 1.00 0.00 C ATOM 802 O VAL A 55 9.916 7.963 9.738 1.00 0.00 O ATOM 803 CB VAL A 55 7.036 9.255 10.594 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.241 8.095 11.173 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.349 10.581 10.885 1.00 0.00 C ATOM 0 H VAL A 55 9.416 10.455 9.711 1.00 0.00 H new ATOM 0 HA VAL A 55 8.432 9.301 12.239 1.00 0.00 H new ATOM 0 HB VAL A 55 7.085 9.126 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.229 8.109 10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.725 7.155 10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.198 8.189 12.258 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.335 10.561 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.311 10.742 11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.908 11.391 10.417 1.00 0.00 H new ATOM 815 N ARG A 56 8.937 6.900 11.463 1.00 0.00 N ATOM 816 CA ARG A 56 9.548 5.612 11.159 1.00 0.00 C ATOM 817 C ARG A 56 8.552 4.475 11.366 1.00 0.00 C ATOM 818 O ARG A 56 7.537 4.641 12.043 1.00 0.00 O ATOM 819 CB ARG A 56 10.782 5.389 12.035 1.00 0.00 C ATOM 820 CG ARG A 56 11.780 6.534 11.984 1.00 0.00 C ATOM 821 CD ARG A 56 11.465 7.594 13.028 1.00 0.00 C ATOM 822 NE ARG A 56 12.538 8.577 13.151 1.00 0.00 N ATOM 823 CZ ARG A 56 13.678 8.346 13.793 1.00 0.00 C ATOM 824 NH1 ARG A 56 13.891 7.170 14.368 1.00 0.00 N ATOM 825 NH2 ARG A 56 14.606 9.291 13.861 1.00 0.00 N ATOM 0 H ARG A 56 8.325 6.895 12.279 1.00 0.00 H new ATOM 0 HA ARG A 56 9.851 5.620 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.463 5.242 13.067 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.279 4.471 11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.786 6.149 12.147 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.768 6.984 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.538 8.101 12.761 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.300 7.115 13.993 1.00 0.00 H new ATOM 0 HE ARG A 56 12.405 9.492 12.720 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.179 6.441 14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.767 6.994 14.860 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.445 10.197 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.481 9.112 14.354 1.00 0.00 H new ATOM 839 N TRP A 57 8.848 3.321 10.779 1.00 0.00 N ATOM 840 CA TRP A 57 7.978 2.157 10.899 1.00 0.00 C ATOM 841 C TRP A 57 8.767 0.866 10.709 1.00 0.00 C ATOM 842 O TRP A 57 9.341 0.611 9.650 1.00 0.00 O ATOM 843 CB TRP A 57 6.846 2.232 9.873 1.00 0.00 C ATOM 844 CG TRP A 57 5.826 3.284 10.190 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.827 3.203 11.117 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.706 4.573 9.578 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.093 4.364 11.119 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.612 5.221 10.184 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.417 5.243 8.579 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.214 6.505 9.822 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.020 6.517 8.220 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.927 7.138 8.841 1.00 0.00 C ATOM 0 H TRP A 57 9.684 3.166 10.215 1.00 0.00 H new ATOM 0 HA TRP A 57 7.551 2.156 11.902 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.270 2.432 8.889 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.352 1.262 9.816 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.641 2.351 11.755 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.291 4.557 11.719 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.261 4.774 8.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.372 6.985 10.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.561 7.044 7.448 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.643 8.135 8.539 1.00 0.00 H new ATOM 863 N PRO A 58 8.798 0.031 11.758 1.00 0.00 N ATOM 864 CA PRO A 58 9.514 -1.249 11.731 1.00 0.00 C ATOM 865 C PRO A 58 8.845 -2.268 10.815 1.00 0.00 C ATOM 866 O PRO A 58 7.664 -2.578 10.974 1.00 0.00 O ATOM 867 CB PRO A 58 9.456 -1.719 13.186 1.00 0.00 C ATOM 868 CG PRO A 58 8.247 -1.057 13.751 1.00 0.00 C ATOM 869 CD PRO A 58 8.137 0.271 13.052 1.00 0.00 C ATOM 0 HA PRO A 58 10.527 -1.141 11.344 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.378 -2.804 13.248 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.355 -1.432 13.731 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.356 -1.662 13.582 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.343 -0.924 14.829 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.097 0.572 12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.631 1.063 13.615 1.00 0.00 H new ATOM 877 N TYR A 59 9.606 -2.785 9.857 1.00 0.00 N ATOM 878 CA TYR A 59 9.085 -3.768 8.914 1.00 0.00 C ATOM 879 C TYR A 59 8.237 -4.814 9.631 1.00 0.00 C ATOM 880 O TYR A 59 7.387 -5.465 9.022 1.00 0.00 O ATOM 881 CB TYR A 59 10.234 -4.449 8.169 1.00 0.00 C ATOM 882 CG TYR A 59 10.979 -3.527 7.231 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.294 -2.681 6.368 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.368 -3.501 7.209 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.971 -1.837 5.508 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.053 -2.659 6.354 1.00 0.00 C ATOM 887 CZ TYR A 59 12.350 -1.830 5.505 1.00 0.00 C ATOM 888 OH TYR A 59 13.028 -0.989 4.652 1.00 0.00 O ATOM 0 H TYR A 59 10.586 -2.540 9.713 1.00 0.00 H new ATOM 0 HA TYR A 59 8.454 -3.246 8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.936 -4.858 8.896 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.839 -5.290 7.600 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.214 -2.683 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.922 -4.150 7.871 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.423 -1.187 4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.133 -2.650 6.351 1.00 0.00 H new ATOM 0 HH TYR A 59 13.854 -0.684 5.082 1.00 0.00 H new ATOM 898 N LEU A 60 8.474 -4.970 10.929 1.00 0.00 N ATOM 899 CA LEU A 60 7.733 -5.937 11.731 1.00 0.00 C ATOM 900 C LEU A 60 6.272 -5.521 11.871 1.00 0.00 C ATOM 901 O LEU A 60 5.365 -6.265 11.493 1.00 0.00 O ATOM 902 CB LEU A 60 8.370 -6.077 13.115 1.00 0.00 C ATOM 903 CG LEU A 60 7.450 -6.572 14.231 1.00 0.00 C ATOM 904 CD1 LEU A 60 6.637 -7.769 13.760 1.00 0.00 C ATOM 905 CD2 LEU A 60 8.258 -6.929 15.470 1.00 0.00 C ATOM 0 H LEU A 60 9.173 -4.439 11.448 1.00 0.00 H new ATOM 0 HA LEU A 60 7.771 -6.900 11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.214 -6.762 13.037 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.773 -5.107 13.407 1.00 0.00 H new ATOM 0 HG LEU A 60 6.761 -5.769 14.491 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.988 -8.108 14.567 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.029 -7.481 12.902 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.311 -8.576 13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.586 -7.279 16.254 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.971 -7.716 15.225 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.796 -6.048 15.820 1.00 0.00 H new ATOM 917 N CYS A 61 6.050 -4.330 12.415 1.00 0.00 N ATOM 918 CA CYS A 61 4.699 -3.814 12.603 1.00 0.00 C ATOM 919 C CYS A 61 3.893 -3.916 11.313 1.00 0.00 C ATOM 920 O CYS A 61 2.692 -4.189 11.338 1.00 0.00 O ATOM 921 CB CYS A 61 4.747 -2.360 13.076 1.00 0.00 C ATOM 922 SG CYS A 61 5.159 -1.175 11.774 1.00 0.00 S ATOM 0 H CYS A 61 6.789 -3.703 12.734 1.00 0.00 H new ATOM 0 HA CYS A 61 4.208 -4.420 13.365 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.779 -2.095 13.501 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.481 -2.274 13.877 1.00 0.00 H new ATOM 0 HG CYS A 61 6.281 -1.518 11.214 1.00 0.00 H new ATOM 928 N LEU A 62 4.560 -3.694 10.186 1.00 0.00 N ATOM 929 CA LEU A 62 3.906 -3.759 8.884 1.00 0.00 C ATOM 930 C LEU A 62 3.312 -5.143 8.642 1.00 0.00 C ATOM 931 O LEU A 62 3.989 -6.042 8.143 1.00 0.00 O ATOM 932 CB LEU A 62 4.901 -3.417 7.773 1.00 0.00 C ATOM 933 CG LEU A 62 5.321 -1.951 7.677 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.491 -1.792 6.718 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.148 -1.087 7.237 1.00 0.00 C ATOM 0 H LEU A 62 5.554 -3.467 10.148 1.00 0.00 H new ATOM 0 HA LEU A 62 3.096 -3.029 8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.796 -4.022 7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.465 -3.713 6.819 1.00 0.00 H new ATOM 0 HG LEU A 62 5.640 -1.620 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.776 -0.741 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.337 -2.379 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.200 -2.141 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.466 -0.046 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.798 -1.419 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.339 -1.176 7.962 1.00 0.00 H new ATOM 947 N ARG A 63 2.041 -5.306 8.996 1.00 0.00 N ATOM 948 CA ARG A 63 1.356 -6.580 8.816 1.00 0.00 C ATOM 949 C ARG A 63 0.939 -6.773 7.361 1.00 0.00 C ATOM 950 O ARG A 63 1.074 -7.863 6.806 1.00 0.00 O ATOM 951 CB ARG A 63 0.127 -6.655 9.724 1.00 0.00 C ATOM 952 CG ARG A 63 -0.643 -7.960 9.602 1.00 0.00 C ATOM 953 CD ARG A 63 0.097 -9.108 10.271 1.00 0.00 C ATOM 954 NE ARG A 63 -0.006 -9.051 11.726 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.139 -9.250 12.391 1.00 0.00 C ATOM 956 NH1 ARG A 63 -2.259 -9.517 11.734 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.152 -9.182 13.716 1.00 0.00 N ATOM 0 H ARG A 63 1.465 -4.572 9.409 1.00 0.00 H new ATOM 0 HA ARG A 63 2.048 -7.377 9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.442 -6.525 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.540 -5.826 9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.628 -7.847 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.802 -8.193 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.307 -10.056 9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.147 -9.081 9.981 1.00 0.00 H new ATOM 0 HE ARG A 63 0.838 -8.847 12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.252 -9.570 10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.127 -9.669 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.292 -8.977 14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.022 -9.335 14.226 1.00 0.00 H new ATOM 971 N ARG A 64 0.431 -5.707 6.751 1.00 0.00 N ATOM 972 CA ARG A 64 -0.007 -5.760 5.361 1.00 0.00 C ATOM 973 C ARG A 64 0.598 -4.613 4.557 1.00 0.00 C ATOM 974 O ARG A 64 0.657 -3.476 5.025 1.00 0.00 O ATOM 975 CB ARG A 64 -1.533 -5.702 5.283 1.00 0.00 C ATOM 976 CG ARG A 64 -2.063 -5.477 3.876 1.00 0.00 C ATOM 977 CD ARG A 64 -3.570 -5.271 3.874 1.00 0.00 C ATOM 978 NE ARG A 64 -3.947 -3.989 4.464 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.176 -3.706 4.883 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.140 -4.609 4.777 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.441 -2.517 5.409 1.00 0.00 N ATOM 0 H ARG A 64 0.313 -4.797 7.197 1.00 0.00 H new ATOM 0 HA ARG A 64 0.336 -6.702 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.944 -6.634 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.891 -4.901 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.575 -4.607 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.811 -6.333 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.942 -5.323 2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.047 -6.079 4.428 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.228 -3.272 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.940 -5.524 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.082 -4.389 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.701 -1.820 5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.384 -2.300 5.730 1.00 0.00 H new ATOM 995 N TYR A 65 1.047 -4.919 3.344 1.00 0.00 N ATOM 996 CA TYR A 65 1.650 -3.915 2.476 1.00 0.00 C ATOM 997 C TYR A 65 1.312 -4.186 1.013 1.00 0.00 C ATOM 998 O TYR A 65 1.758 -5.176 0.434 1.00 0.00 O ATOM 999 CB TYR A 65 3.167 -3.893 2.665 1.00 0.00 C ATOM 1000 CG TYR A 65 3.844 -5.189 2.280 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.728 -6.320 3.080 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.601 -5.283 1.119 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.346 -7.506 2.733 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.220 -6.466 0.764 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.090 -7.574 1.574 1.00 0.00 C ATOM 1006 OH TYR A 65 5.707 -8.753 1.224 1.00 0.00 O ATOM 0 H TYR A 65 1.004 -5.855 2.940 1.00 0.00 H new ATOM 0 HA TYR A 65 1.242 -2.942 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.587 -3.082 2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.392 -3.672 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.145 -6.271 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.707 -4.417 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.247 -8.375 3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.803 -6.523 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 65 5.033 -9.456 1.118 1.00 0.00 H new ATOM 1016 N GLY A 66 0.519 -3.298 0.421 1.00 0.00 N ATOM 1017 CA GLY A 66 0.134 -3.457 -0.969 1.00 0.00 C ATOM 1018 C GLY A 66 0.660 -2.340 -1.848 1.00 0.00 C ATOM 1019 O GLY A 66 1.569 -1.607 -1.455 1.00 0.00 O ATOM 0 H GLY A 66 0.136 -2.471 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.507 -4.412 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.953 -3.490 -1.040 1.00 0.00 H new ATOM 1023 N TYR A 67 0.090 -2.210 -3.041 1.00 0.00 N ATOM 1024 CA TYR A 67 0.510 -1.176 -3.980 1.00 0.00 C ATOM 1025 C TYR A 67 -0.501 -1.026 -5.112 1.00 0.00 C ATOM 1026 O TYR A 67 -1.290 -1.933 -5.380 1.00 0.00 O ATOM 1027 CB TYR A 67 1.889 -1.508 -4.552 1.00 0.00 C ATOM 1028 CG TYR A 67 1.849 -2.504 -5.689 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.706 -3.864 -5.443 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.954 -2.085 -7.010 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.670 -4.777 -6.479 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.917 -2.991 -8.052 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.775 -4.336 -7.781 1.00 0.00 C ATOM 1034 OH TYR A 67 1.738 -5.242 -8.816 1.00 0.00 O ATOM 0 H TYR A 67 -0.664 -2.807 -3.381 1.00 0.00 H new ATOM 0 HA TYR A 67 0.566 -0.231 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.359 -0.589 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.518 -1.904 -3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.622 -4.213 -4.425 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.066 -1.033 -7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.560 -5.831 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.999 -2.648 -9.073 1.00 0.00 H new ATOM 0 HH TYR A 67 1.823 -4.768 -9.669 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.469 0.124 -5.776 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.381 0.395 -6.881 1.00 0.00 C ATOM 1046 C ASP A 68 -0.703 1.250 -7.947 1.00 0.00 C ATOM 1047 O ASP A 68 0.448 1.657 -7.791 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.641 1.096 -6.372 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.796 0.991 -7.348 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -3.824 0.021 -8.134 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.673 1.880 -7.326 1.00 0.00 O ATOM 0 H ASP A 68 0.179 0.884 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.662 -0.558 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.935 0.660 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.419 2.147 -6.188 1.00 0.00 H new ATOM 1056 N SER A 69 -1.425 1.518 -9.031 1.00 0.00 N ATOM 1057 CA SER A 69 -0.893 2.322 -10.125 1.00 0.00 C ATOM 1058 C SER A 69 -0.213 3.580 -9.594 1.00 0.00 C ATOM 1059 O SER A 69 0.991 3.767 -9.762 1.00 0.00 O ATOM 1060 CB SER A 69 -2.011 2.703 -11.097 1.00 0.00 C ATOM 1061 OG SER A 69 -2.345 1.615 -11.942 1.00 0.00 O ATOM 0 H SER A 69 -2.380 1.190 -9.175 1.00 0.00 H new ATOM 0 HA SER A 69 -0.150 1.725 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.892 3.017 -10.538 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.697 3.554 -11.701 1.00 0.00 H new ATOM 0 HG SER A 69 -3.063 1.883 -12.553 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.996 4.442 -8.952 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.472 5.684 -8.397 1.00 0.00 C ATOM 1069 C ASN A 70 -0.900 5.853 -6.942 1.00 0.00 C ATOM 1070 O ASN A 70 -1.278 6.946 -6.518 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.950 6.879 -9.224 1.00 0.00 C ATOM 1072 CG ASN A 70 -2.455 7.060 -9.161 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -3.213 6.220 -9.646 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.893 8.161 -8.561 1.00 0.00 N ATOM 0 H ASN A 70 -1.995 4.303 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 70 0.616 5.638 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.462 7.785 -8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.646 6.744 -10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.895 8.338 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.227 8.830 -8.173 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.839 4.765 -6.183 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.220 4.792 -4.775 1.00 0.00 C ATOM 1083 C LEU A 71 -0.433 3.757 -3.978 1.00 0.00 C ATOM 1084 O LEU A 71 -0.383 2.583 -4.343 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.720 4.532 -4.627 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.369 5.056 -3.346 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.897 4.255 -2.142 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.062 6.534 -3.158 1.00 0.00 C ATOM 0 H LEU A 71 -0.529 3.853 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.988 5.781 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.232 4.980 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.889 3.457 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.449 4.938 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.369 4.642 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.169 3.207 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.814 4.340 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.532 6.890 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.983 6.676 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.450 7.097 -4.007 1.00 0.00 H new ATOM 1100 N PHE A 72 0.181 4.201 -2.885 1.00 0.00 N ATOM 1101 CA PHE A 72 0.965 3.314 -2.035 1.00 0.00 C ATOM 1102 C PHE A 72 0.585 3.490 -0.568 1.00 0.00 C ATOM 1103 O PHE A 72 0.874 4.522 0.039 1.00 0.00 O ATOM 1104 CB PHE A 72 2.460 3.582 -2.223 1.00 0.00 C ATOM 1105 CG PHE A 72 3.326 2.878 -1.218 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.147 1.529 -0.954 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.320 3.564 -0.539 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.943 0.879 -0.030 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.119 2.918 0.387 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.930 1.574 0.640 1.00 0.00 C ATOM 0 H PHE A 72 0.150 5.170 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 72 0.748 2.286 -2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.754 3.270 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.640 4.655 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.377 0.980 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.473 4.615 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.793 -0.172 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.889 3.464 0.911 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.554 1.067 1.361 1.00 0.00 H new ATOM 1120 N SER A 73 -0.064 2.476 -0.005 1.00 0.00 N ATOM 1121 CA SER A 73 -0.487 2.520 1.390 1.00 0.00 C ATOM 1122 C SER A 73 0.025 1.302 2.152 1.00 0.00 C ATOM 1123 O SER A 73 0.326 0.266 1.559 1.00 0.00 O ATOM 1124 CB SER A 73 -2.013 2.588 1.480 1.00 0.00 C ATOM 1125 OG SER A 73 -2.440 2.705 2.826 1.00 0.00 O ATOM 0 H SER A 73 -0.308 1.614 -0.493 1.00 0.00 H new ATOM 0 HA SER A 73 -0.063 3.415 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.377 3.439 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.447 1.693 1.034 1.00 0.00 H new ATOM 0 HG SER A 73 -3.399 2.908 2.849 1.00 0.00 H new ATOM 1131 N PHE A 74 0.122 1.435 3.471 1.00 0.00 N ATOM 1132 CA PHE A 74 0.598 0.346 4.316 1.00 0.00 C ATOM 1133 C PHE A 74 -0.016 0.430 5.710 1.00 0.00 C ATOM 1134 O PHE A 74 -0.246 1.520 6.233 1.00 0.00 O ATOM 1135 CB PHE A 74 2.125 0.381 4.416 1.00 0.00 C ATOM 1136 CG PHE A 74 2.649 1.575 5.161 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.599 1.622 6.545 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.192 2.651 4.477 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.081 2.719 7.234 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.676 3.751 5.161 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.619 3.785 6.540 1.00 0.00 C ATOM 0 H PHE A 74 -0.123 2.286 3.977 1.00 0.00 H new ATOM 0 HA PHE A 74 0.291 -0.595 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.470 -0.527 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.547 0.376 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.178 0.791 7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.238 2.630 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.037 2.743 8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.098 4.583 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.995 4.644 7.076 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.280 -0.729 6.305 1.00 0.00 N ATOM 1152 CA GLU A 75 -0.869 -0.786 7.637 1.00 0.00 C ATOM 1153 C GLU A 75 0.191 -1.102 8.688 1.00 0.00 C ATOM 1154 O GLU A 75 1.210 -1.724 8.390 1.00 0.00 O ATOM 1155 CB GLU A 75 -1.978 -1.840 7.684 1.00 0.00 C ATOM 1156 CG GLU A 75 -2.834 -1.768 8.938 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.541 -3.075 9.237 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.428 -3.465 8.449 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -3.207 -3.709 10.260 1.00 0.00 O ATOM 0 H GLU A 75 -0.095 -1.640 5.886 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.296 0.192 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.618 -1.721 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.529 -2.831 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.206 -1.496 9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.575 -0.977 8.823 1.00 0.00 H new ATOM 1166 N SER A 76 -0.057 -0.667 9.920 1.00 0.00 N ATOM 1167 CA SER A 76 0.878 -0.899 11.015 1.00 0.00 C ATOM 1168 C SER A 76 0.142 -0.983 12.349 1.00 0.00 C ATOM 1169 O SER A 76 -0.629 -0.092 12.702 1.00 0.00 O ATOM 1170 CB SER A 76 1.923 0.217 11.066 1.00 0.00 C ATOM 1171 OG SER A 76 1.343 1.474 10.765 1.00 0.00 O ATOM 0 H SER A 76 -0.897 -0.152 10.184 1.00 0.00 H new ATOM 0 HA SER A 76 1.380 -1.850 10.836 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.376 0.250 12.057 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.723 0.003 10.357 1.00 0.00 H new ATOM 0 HG SER A 76 1.465 2.081 11.525 1.00 0.00 H new ATOM 1177 N GLY A 77 0.386 -2.063 13.085 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.260 -2.245 14.372 1.00 0.00 C ATOM 1179 C GLY A 77 -0.141 -1.021 15.259 1.00 0.00 C ATOM 1180 O GLY A 77 0.467 -0.023 14.872 1.00 0.00 O ATOM 0 H GLY A 77 1.019 -2.815 12.813 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.314 -2.476 14.217 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.183 -3.102 14.879 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.724 -1.097 16.451 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.683 0.014 17.394 1.00 0.00 C ATOM 1186 C ARG A 78 0.638 0.030 18.157 1.00 0.00 C ATOM 1187 O ARG A 78 0.678 0.367 19.341 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.852 -0.080 18.376 1.00 0.00 C ATOM 1189 CG ARG A 78 -1.896 -1.390 19.147 1.00 0.00 C ATOM 1190 CD ARG A 78 -3.326 -1.825 19.423 1.00 0.00 C ATOM 1191 NE ARG A 78 -3.387 -2.947 20.357 1.00 0.00 N ATOM 1192 CZ ARG A 78 -4.453 -3.230 21.097 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -5.541 -2.478 21.012 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -4.431 -4.267 21.924 1.00 0.00 N ATOM 0 H ARG A 78 -1.230 -1.916 16.786 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.767 0.942 16.829 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.788 0.746 19.084 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.786 0.041 17.828 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.382 -2.165 18.579 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.360 -1.277 20.090 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.888 -0.984 19.829 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.806 -2.107 18.486 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.566 -3.546 20.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.561 -1.680 20.377 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.358 -2.697 21.581 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.595 -4.848 21.992 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.250 -4.484 22.492 1.00 0.00 H new ATOM 1208 N ARG A 79 1.716 -0.336 17.472 1.00 0.00 N ATOM 1209 CA ARG A 79 3.038 -0.365 18.086 1.00 0.00 C ATOM 1210 C ARG A 79 3.914 0.762 17.545 1.00 0.00 C ATOM 1211 O ARG A 79 4.742 1.319 18.267 1.00 0.00 O ATOM 1212 CB ARG A 79 3.712 -1.715 17.833 1.00 0.00 C ATOM 1213 CG ARG A 79 4.535 -1.755 16.555 1.00 0.00 C ATOM 1214 CD ARG A 79 5.963 -1.292 16.798 1.00 0.00 C ATOM 1215 NE ARG A 79 6.772 -2.327 17.436 1.00 0.00 N ATOM 1216 CZ ARG A 79 8.016 -2.130 17.859 1.00 0.00 C ATOM 1217 NH1 ARG A 79 8.590 -0.944 17.711 1.00 0.00 N ATOM 1218 NH2 ARG A 79 8.689 -3.121 18.430 1.00 0.00 N ATOM 0 H ARG A 79 1.700 -0.617 16.491 1.00 0.00 H new ATOM 0 HA ARG A 79 2.915 -0.223 19.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.357 -1.953 18.678 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.947 -2.490 17.787 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.543 -2.770 16.158 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.069 -1.121 15.801 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.419 -1.009 15.849 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.953 -0.401 17.426 1.00 0.00 H new ATOM 0 HE ARG A 79 6.360 -3.251 17.564 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.076 -0.180 17.272 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.545 -0.795 18.037 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.251 -4.035 18.545 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.644 -2.969 18.754 1.00 0.00 H new ATOM 1232 N CYS A 80 3.725 1.092 16.272 1.00 0.00 N ATOM 1233 CA CYS A 80 4.498 2.151 15.634 1.00 0.00 C ATOM 1234 C CYS A 80 4.293 3.481 16.351 1.00 0.00 C ATOM 1235 O CYS A 80 3.208 3.761 16.860 1.00 0.00 O ATOM 1236 CB CYS A 80 4.103 2.284 14.163 1.00 0.00 C ATOM 1237 SG CYS A 80 2.323 2.449 13.889 1.00 0.00 S ATOM 0 H CYS A 80 3.043 0.641 15.662 1.00 0.00 H new ATOM 0 HA CYS A 80 5.553 1.885 15.696 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.607 3.153 13.740 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.464 1.410 13.620 1.00 0.00 H new ATOM 0 HG CYS A 80 1.714 1.397 14.349 1.00 0.00 H new ATOM 1243 N GLN A 81 5.342 4.296 16.387 1.00 0.00 N ATOM 1244 CA GLN A 81 5.277 5.596 17.045 1.00 0.00 C ATOM 1245 C GLN A 81 3.944 6.282 16.764 1.00 0.00 C ATOM 1246 O GLN A 81 3.211 6.641 17.687 1.00 0.00 O ATOM 1247 CB GLN A 81 6.430 6.486 16.577 1.00 0.00 C ATOM 1248 CG GLN A 81 6.141 7.973 16.704 1.00 0.00 C ATOM 1249 CD GLN A 81 7.375 8.828 16.492 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.435 8.558 17.057 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.243 9.865 15.674 1.00 0.00 N ATOM 0 H GLN A 81 6.247 4.080 15.969 1.00 0.00 H new ATOM 0 HA GLN A 81 5.363 5.436 18.120 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.321 6.247 17.157 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.656 6.256 15.536 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.379 8.255 15.977 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.729 8.176 17.692 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.345 10.051 15.227 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.039 10.476 15.492 1.00 0.00 H new ATOM 1260 N THR A 82 3.634 6.461 15.484 1.00 0.00 N ATOM 1261 CA THR A 82 2.390 7.105 15.081 1.00 0.00 C ATOM 1262 C THR A 82 1.183 6.393 15.681 1.00 0.00 C ATOM 1263 O THR A 82 0.228 7.032 16.120 1.00 0.00 O ATOM 1264 CB THR A 82 2.244 7.135 13.548 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.232 5.800 13.030 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.380 7.921 12.911 1.00 0.00 C ATOM 0 H THR A 82 4.228 6.169 14.708 1.00 0.00 H new ATOM 0 HA THR A 82 2.428 8.128 15.455 1.00 0.00 H new ATOM 0 HB THR A 82 1.302 7.627 13.305 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.622 5.752 12.264 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.255 7.928 11.828 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.368 8.945 13.284 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.332 7.454 13.163 1.00 0.00 H new ATOM 1274 N GLY A 83 1.234 5.064 15.699 1.00 0.00 N ATOM 1275 CA GLY A 83 0.138 4.287 16.249 1.00 0.00 C ATOM 1276 C GLY A 83 -0.579 3.469 15.193 1.00 0.00 C ATOM 1277 O GLY A 83 -0.268 3.566 14.007 1.00 0.00 O ATOM 0 H GLY A 83 2.014 4.512 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.521 3.621 17.022 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.574 4.958 16.730 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.541 2.661 15.626 1.00 0.00 N ATOM 1282 CA GLN A 84 -2.303 1.821 14.709 1.00 0.00 C ATOM 1283 C GLN A 84 -3.143 2.672 13.762 1.00 0.00 C ATOM 1284 O GLN A 84 -4.021 3.417 14.195 1.00 0.00 O ATOM 1285 CB GLN A 84 -3.205 0.864 15.490 1.00 0.00 C ATOM 1286 CG GLN A 84 -4.336 0.280 14.660 1.00 0.00 C ATOM 1287 CD GLN A 84 -3.892 -0.901 13.818 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -2.752 -0.955 13.357 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -4.793 -1.855 13.614 1.00 0.00 N ATOM 0 H GLN A 84 -1.811 2.570 16.605 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.596 1.240 14.116 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.599 0.050 15.887 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.628 1.393 16.344 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.143 -0.034 15.322 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.741 1.054 14.008 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.727 -1.769 14.015 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.551 -2.674 13.056 1.00 0.00 H new ATOM 1298 N GLY A 85 -2.866 2.555 12.467 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.605 3.320 11.479 1.00 0.00 C ATOM 1300 C GLY A 85 -3.061 3.133 10.076 1.00 0.00 C ATOM 1301 O GLY A 85 -1.875 2.855 9.895 1.00 0.00 O ATOM 0 H GLY A 85 -2.144 1.945 12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.653 3.021 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.569 4.377 11.741 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.929 3.285 9.082 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.529 3.130 7.689 1.00 0.00 C ATOM 1307 C ILE A 86 -3.149 4.473 7.074 1.00 0.00 C ATOM 1308 O ILE A 86 -3.919 5.432 7.126 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.651 2.492 6.848 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.866 1.036 7.266 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.318 2.581 5.366 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.099 0.408 6.654 1.00 0.00 C ATOM 0 H ILE A 86 -4.914 3.515 9.215 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.661 2.470 7.681 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.576 3.041 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.991 0.452 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.943 0.986 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.120 2.126 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.211 3.627 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.384 2.054 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.189 -0.624 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.983 0.969 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.015 0.426 5.567 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.957 4.534 6.490 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.474 5.759 5.863 1.00 0.00 C ATOM 1326 C PHE A 87 -1.250 5.553 4.368 1.00 0.00 C ATOM 1327 O PHE A 87 -0.385 4.779 3.960 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.174 6.218 6.527 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.245 6.250 8.027 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.019 7.199 8.676 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.461 5.333 8.787 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.087 7.231 10.057 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.397 5.360 10.168 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.377 6.311 10.803 1.00 0.00 C ATOM 0 H PHE A 87 -1.307 3.749 6.438 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.233 6.530 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.634 5.552 6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.079 7.213 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.575 7.921 8.097 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.069 4.588 8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.695 7.975 10.551 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.952 4.638 10.749 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.427 6.335 11.882 1.00 0.00 H new ATOM 1344 N ALA A 88 -2.037 6.252 3.557 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.924 6.148 2.107 1.00 0.00 C ATOM 1346 C ALA A 88 -1.157 7.332 1.530 1.00 0.00 C ATOM 1347 O ALA A 88 -1.433 8.485 1.862 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.305 6.053 1.476 1.00 0.00 C ATOM 0 H ALA A 88 -2.759 6.896 3.879 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.367 5.240 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.206 5.976 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.819 5.171 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.881 6.944 1.725 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.192 7.041 0.664 1.00 0.00 N ATOM 1355 CA PHE A 89 0.617 8.083 0.041 1.00 0.00 C ATOM 1356 C PHE A 89 0.609 7.942 -1.478 1.00 0.00 C ATOM 1357 O PHE A 89 0.675 6.834 -2.011 1.00 0.00 O ATOM 1358 CB PHE A 89 2.054 8.022 0.563 1.00 0.00 C ATOM 1359 CG PHE A 89 2.146 7.957 2.061 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.910 6.768 2.731 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.469 9.085 2.798 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.993 6.706 4.110 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.554 9.028 4.176 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.317 7.837 4.833 1.00 0.00 C ATOM 0 H PHE A 89 0.049 6.092 0.377 1.00 0.00 H new ATOM 0 HA PHE A 89 0.184 9.049 0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.549 7.149 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.597 8.899 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.658 5.880 2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.656 10.019 2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.805 5.774 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.806 9.915 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.385 7.790 5.910 1.00 0.00 H new ATOM 1374 N LYS A 90 0.527 9.073 -2.170 1.00 0.00 N ATOM 1375 CA LYS A 90 0.511 9.079 -3.628 1.00 0.00 C ATOM 1376 C LYS A 90 1.929 9.056 -4.188 1.00 0.00 C ATOM 1377 O LYS A 90 2.788 9.829 -3.761 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.233 10.312 -4.146 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.723 10.087 -4.340 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.416 11.344 -4.839 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.802 11.036 -5.386 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.764 10.696 -4.302 1.00 0.00 N ATOM 0 H LYS A 90 0.471 9.998 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.008 8.181 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.086 11.135 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.206 10.619 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.880 9.277 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.171 9.774 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.497 12.064 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.812 11.810 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.172 11.897 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.739 10.205 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.715 10.576 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.469 9.811 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.781 11.463 -3.600 1.00 0.00 H new ATOM 1396 N CYS A 91 2.168 8.167 -5.146 1.00 0.00 N ATOM 1397 CA CYS A 91 3.483 8.045 -5.765 1.00 0.00 C ATOM 1398 C CYS A 91 3.359 7.636 -7.229 1.00 0.00 C ATOM 1399 O CYS A 91 2.254 7.514 -7.759 1.00 0.00 O ATOM 1400 CB CYS A 91 4.332 7.023 -5.008 1.00 0.00 C ATOM 1401 SG CYS A 91 3.524 5.423 -4.768 1.00 0.00 S ATOM 0 H CYS A 91 1.469 7.520 -5.511 1.00 0.00 H new ATOM 0 HA CYS A 91 3.971 9.018 -5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.265 6.869 -5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.594 7.435 -4.034 1.00 0.00 H new ATOM 0 HG CYS A 91 4.226 4.702 -3.945 1.00 0.00 H new ATOM 1407 N SER A 92 4.499 7.426 -7.879 1.00 0.00 N ATOM 1408 CA SER A 92 4.518 7.037 -9.284 1.00 0.00 C ATOM 1409 C SER A 92 5.213 5.690 -9.465 1.00 0.00 C ATOM 1410 O SER A 92 4.996 4.996 -10.458 1.00 0.00 O ATOM 1411 CB SER A 92 5.225 8.104 -10.121 1.00 0.00 C ATOM 1412 OG SER A 92 4.716 9.396 -9.835 1.00 0.00 O ATOM 0 H SER A 92 5.422 7.519 -7.455 1.00 0.00 H new ATOM 0 HA SER A 92 3.486 6.943 -9.624 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.296 8.079 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.095 7.885 -11.181 1.00 0.00 H new ATOM 0 HG SER A 92 5.185 10.061 -10.381 1.00 0.00 H new ATOM 1418 N ARG A 93 6.050 5.329 -8.497 1.00 0.00 N ATOM 1419 CA ARG A 93 6.778 4.067 -8.549 1.00 0.00 C ATOM 1420 C ARG A 93 6.280 3.107 -7.472 1.00 0.00 C ATOM 1421 O ARG A 93 7.022 2.242 -7.007 1.00 0.00 O ATOM 1422 CB ARG A 93 8.278 4.312 -8.375 1.00 0.00 C ATOM 1423 CG ARG A 93 8.852 5.306 -9.372 1.00 0.00 C ATOM 1424 CD ARG A 93 10.035 6.062 -8.786 1.00 0.00 C ATOM 1425 NE ARG A 93 9.620 7.288 -8.110 1.00 0.00 N ATOM 1426 CZ ARG A 93 10.376 7.934 -7.229 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.579 7.472 -6.919 1.00 0.00 N ATOM 1428 NH2 ARG A 93 9.928 9.044 -6.657 1.00 0.00 N ATOM 0 H ARG A 93 6.240 5.892 -7.668 1.00 0.00 H new ATOM 0 HA ARG A 93 6.601 3.614 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.463 4.676 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.806 3.364 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.166 4.779 -10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.078 6.013 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.562 5.420 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.739 6.307 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 93 8.699 7.669 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.926 6.619 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.158 7.970 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.003 9.402 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.509 9.539 -5.981 1.00 0.00 H new ATOM 1442 N ALA A 94 5.021 3.267 -7.081 1.00 0.00 N ATOM 1443 CA ALA A 94 4.423 2.415 -6.060 1.00 0.00 C ATOM 1444 C ALA A 94 4.956 0.989 -6.155 1.00 0.00 C ATOM 1445 O ALA A 94 5.272 0.367 -5.142 1.00 0.00 O ATOM 1446 CB ALA A 94 2.907 2.423 -6.187 1.00 0.00 C ATOM 0 H ALA A 94 4.394 3.979 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 94 4.697 2.814 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.474 1.783 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.537 3.441 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.622 2.051 -7.171 1.00 0.00 H new ATOM 1452 N GLU A 95 5.053 0.479 -7.379 1.00 0.00 N ATOM 1453 CA GLU A 95 5.547 -0.874 -7.605 1.00 0.00 C ATOM 1454 C GLU A 95 6.979 -1.023 -7.099 1.00 0.00 C ATOM 1455 O GLU A 95 7.272 -1.895 -6.282 1.00 0.00 O ATOM 1456 CB GLU A 95 5.482 -1.224 -9.093 1.00 0.00 C ATOM 1457 CG GLU A 95 5.510 -2.717 -9.370 1.00 0.00 C ATOM 1458 CD GLU A 95 4.793 -3.087 -10.653 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.783 -2.428 -10.980 1.00 0.00 O ATOM 1460 OE2 GLU A 95 5.241 -4.035 -11.331 1.00 0.00 O ATOM 0 H GLU A 95 4.796 0.982 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 95 4.910 -1.562 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.571 -0.802 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.321 -0.752 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.546 -3.052 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.049 -3.246 -8.536 1.00 0.00 H new ATOM 1467 N GLU A 96 7.866 -0.164 -7.592 1.00 0.00 N ATOM 1468 CA GLU A 96 9.268 -0.201 -7.191 1.00 0.00 C ATOM 1469 C GLU A 96 9.399 -0.492 -5.699 1.00 0.00 C ATOM 1470 O GLU A 96 10.050 -1.459 -5.299 1.00 0.00 O ATOM 1471 CB GLU A 96 9.952 1.126 -7.524 1.00 0.00 C ATOM 1472 CG GLU A 96 10.241 1.307 -9.005 1.00 0.00 C ATOM 1473 CD GLU A 96 11.470 0.541 -9.457 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.489 0.578 -8.736 1.00 0.00 O ATOM 1475 OE2 GLU A 96 11.412 -0.094 -10.530 1.00 0.00 O ATOM 0 H GLU A 96 7.639 0.565 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 96 9.757 -1.003 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.320 1.946 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.888 1.192 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.378 0.976 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.379 2.367 -9.218 1.00 0.00 H new ATOM 1482 N ILE A 97 8.778 0.350 -4.880 1.00 0.00 N ATOM 1483 CA ILE A 97 8.825 0.183 -3.433 1.00 0.00 C ATOM 1484 C ILE A 97 8.205 -1.145 -3.013 1.00 0.00 C ATOM 1485 O ILE A 97 8.632 -1.761 -2.036 1.00 0.00 O ATOM 1486 CB ILE A 97 8.094 1.330 -2.710 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.619 2.683 -3.194 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.262 1.198 -1.204 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.581 3.783 -3.154 1.00 0.00 C ATOM 0 H ILE A 97 8.236 1.155 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 97 9.877 0.197 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 97 7.031 1.269 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.470 2.975 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.986 2.577 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.740 2.016 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.845 0.247 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.322 1.237 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.023 4.713 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.740 3.513 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.232 3.916 -2.130 1.00 0.00 H new ATOM 1501 N PHE A 98 7.196 -1.583 -3.758 1.00 0.00 N ATOM 1502 CA PHE A 98 6.517 -2.839 -3.464 1.00 0.00 C ATOM 1503 C PHE A 98 7.416 -4.031 -3.778 1.00 0.00 C ATOM 1504 O PHE A 98 7.360 -5.059 -3.106 1.00 0.00 O ATOM 1505 CB PHE A 98 5.217 -2.941 -4.265 1.00 0.00 C ATOM 1506 CG PHE A 98 4.888 -4.342 -4.697 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.154 -5.180 -3.873 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.311 -4.819 -5.927 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.850 -6.469 -4.268 1.00 0.00 C ATOM 1510 CE2 PHE A 98 5.010 -6.108 -6.327 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.278 -6.933 -5.497 1.00 0.00 C ATOM 0 H PHE A 98 6.830 -1.086 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 98 6.282 -2.855 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.396 -2.553 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.292 -2.305 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.816 -4.822 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.882 -4.177 -6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.278 -7.113 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.347 -6.469 -7.288 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.040 -7.940 -5.808 1.00 0.00 H new ATOM 1521 N ASN A 99 8.246 -3.883 -4.806 1.00 0.00 N ATOM 1522 CA ASN A 99 9.157 -4.947 -5.212 1.00 0.00 C ATOM 1523 C ASN A 99 10.382 -4.990 -4.303 1.00 0.00 C ATOM 1524 O ASN A 99 10.973 -6.049 -4.089 1.00 0.00 O ATOM 1525 CB ASN A 99 9.593 -4.747 -6.665 1.00 0.00 C ATOM 1526 CG ASN A 99 8.652 -5.416 -7.648 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.969 -6.383 -7.311 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.612 -4.902 -8.872 1.00 0.00 N ATOM 0 H ASN A 99 8.306 -3.037 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 99 8.629 -5.896 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.643 -3.680 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.598 -5.147 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.997 -5.310 -9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.196 -4.099 -9.107 1.00 0.00 H new ATOM 1535 N LEU A 100 10.757 -3.832 -3.771 1.00 0.00 N ATOM 1536 CA LEU A 100 11.911 -3.736 -2.884 1.00 0.00 C ATOM 1537 C LEU A 100 11.535 -4.121 -1.457 1.00 0.00 C ATOM 1538 O LEU A 100 12.292 -4.806 -0.767 1.00 0.00 O ATOM 1539 CB LEU A 100 12.481 -2.317 -2.908 1.00 0.00 C ATOM 1540 CG LEU A 100 13.987 -2.193 -2.669 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.432 -0.746 -2.805 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.356 -2.740 -1.298 1.00 0.00 C ATOM 0 H LEU A 100 10.279 -2.947 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 100 12.670 -4.432 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.249 -1.870 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.964 -1.727 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 100 14.505 -2.783 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.506 -0.678 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.203 -0.388 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 100 13.907 -0.133 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.431 -2.644 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.828 -2.178 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.074 -3.791 -1.238 1.00 0.00 H new ATOM 1554 N LEU A 101 10.361 -3.679 -1.020 1.00 0.00 N ATOM 1555 CA LEU A 101 9.882 -3.980 0.324 1.00 0.00 C ATOM 1556 C LEU A 101 9.905 -5.482 0.588 1.00 0.00 C ATOM 1557 O LEU A 101 10.507 -5.942 1.558 1.00 0.00 O ATOM 1558 CB LEU A 101 8.464 -3.439 0.515 1.00 0.00 C ATOM 1559 CG LEU A 101 8.357 -1.988 0.987 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.918 -1.504 0.902 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.886 -1.849 2.407 1.00 0.00 C ATOM 0 H LEU A 101 9.723 -3.111 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 101 10.549 -3.495 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.930 -3.533 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.949 -4.074 1.236 1.00 0.00 H new ATOM 0 HG LEU A 101 8.967 -1.366 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.861 -0.470 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.574 -1.566 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.286 -2.129 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.802 -0.810 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.303 -2.482 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.932 -2.155 2.437 1.00 0.00 H new ATOM 1573 N GLN A 102 9.248 -6.241 -0.284 1.00 0.00 N ATOM 1574 CA GLN A 102 9.194 -7.691 -0.145 1.00 0.00 C ATOM 1575 C GLN A 102 10.598 -8.288 -0.122 1.00 0.00 C ATOM 1576 O GLN A 102 10.820 -9.354 0.453 1.00 0.00 O ATOM 1577 CB GLN A 102 8.386 -8.304 -1.290 1.00 0.00 C ATOM 1578 CG GLN A 102 8.947 -7.990 -2.667 1.00 0.00 C ATOM 1579 CD GLN A 102 8.196 -8.696 -3.779 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.279 -8.134 -4.379 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.581 -9.936 -4.060 1.00 0.00 N ATOM 0 H GLN A 102 8.746 -5.876 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 102 8.704 -7.922 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.350 -9.386 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.360 -7.942 -1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.908 -6.914 -2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.997 -8.280 -2.702 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.346 -10.363 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.112 -10.461 -4.798 1.00 0.00 H new ATOM 1590 N ASP A 103 11.541 -7.593 -0.749 1.00 0.00 N ATOM 1591 CA ASP A 103 12.924 -8.054 -0.800 1.00 0.00 C ATOM 1592 C ASP A 103 13.621 -7.827 0.538 1.00 0.00 C ATOM 1593 O ASP A 103 14.402 -8.663 0.993 1.00 0.00 O ATOM 1594 CB ASP A 103 13.683 -7.334 -1.914 1.00 0.00 C ATOM 1595 CG ASP A 103 13.601 -8.067 -3.239 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.219 -9.146 -3.360 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.918 -7.562 -4.154 1.00 0.00 O ATOM 0 H ASP A 103 11.373 -6.709 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 103 12.918 -9.124 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.280 -6.328 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.729 -7.226 -1.626 1.00 0.00 H new ATOM 1602 N LEU A 104 13.335 -6.690 1.163 1.00 0.00 N ATOM 1603 CA LEU A 104 13.936 -6.351 2.448 1.00 0.00 C ATOM 1604 C LEU A 104 13.291 -7.149 3.577 1.00 0.00 C ATOM 1605 O LEU A 104 13.953 -7.514 4.548 1.00 0.00 O ATOM 1606 CB LEU A 104 13.793 -4.853 2.721 1.00 0.00 C ATOM 1607 CG LEU A 104 14.331 -3.919 1.636 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.020 -2.470 1.976 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.829 -4.117 1.456 1.00 0.00 C ATOM 0 H LEU A 104 12.691 -5.987 0.801 1.00 0.00 H new ATOM 0 HA LEU A 104 14.995 -6.606 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.737 -4.631 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.304 -4.624 3.656 1.00 0.00 H new ATOM 0 HG LEU A 104 13.837 -4.164 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.411 -1.821 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.941 -2.338 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.485 -2.211 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.194 -3.444 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.340 -3.900 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.027 -5.148 1.165 1.00 0.00 H new ATOM 1621 N MET A 105 11.996 -7.416 3.442 1.00 0.00 N ATOM 1622 CA MET A 105 11.263 -8.174 4.449 1.00 0.00 C ATOM 1623 C MET A 105 11.835 -9.581 4.594 1.00 0.00 C ATOM 1624 O MET A 105 11.889 -10.127 5.695 1.00 0.00 O ATOM 1625 CB MET A 105 9.780 -8.248 4.083 1.00 0.00 C ATOM 1626 CG MET A 105 9.062 -6.912 4.183 1.00 0.00 C ATOM 1627 SD MET A 105 8.404 -6.599 5.832 1.00 0.00 S ATOM 1628 CE MET A 105 6.643 -6.700 5.519 1.00 0.00 C ATOM 0 H MET A 105 11.433 -7.119 2.645 1.00 0.00 H new ATOM 0 HA MET A 105 11.368 -7.659 5.404 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.684 -8.628 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.288 -8.966 4.739 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.752 -6.112 3.913 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.247 -6.887 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.102 -6.652 6.464 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.338 -5.868 4.884 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.416 -7.641 5.018 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.565 11.037 8.076 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.001 10.824 7.934 1.00 0.00 C ATOM 2277 C PHE B 2 -4.360 9.361 8.176 1.00 0.00 C ATOM 2278 O PHE B 2 -3.705 8.456 7.660 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.466 11.252 6.541 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.958 11.207 6.367 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.610 10.000 6.171 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.707 12.372 6.399 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.982 9.957 6.010 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.080 12.335 6.239 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.718 11.125 6.046 1.00 0.00 C ATOM 0 HA PHE B 2 -4.509 11.433 8.682 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.116 12.265 6.345 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -4.002 10.605 5.797 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -6.040 9.083 6.144 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.213 13.320 6.551 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.478 9.010 5.856 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.653 13.250 6.265 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.791 11.093 5.923 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.406 9.137 8.965 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.852 7.785 9.277 1.00 0.00 C ATOM 2297 C ARG B 3 -6.989 7.360 8.352 1.00 0.00 C ATOM 2298 O ARG B 3 -8.017 8.033 8.265 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.308 7.699 10.735 1.00 0.00 C ATOM 2300 CG ARG B 3 -5.191 7.942 11.737 1.00 0.00 C ATOM 2301 CD ARG B 3 -4.957 9.427 11.962 1.00 0.00 C ATOM 2302 NE ARG B 3 -6.159 10.105 12.438 1.00 0.00 N ATOM 2303 CZ ARG B 3 -6.616 10.004 13.682 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -5.974 9.257 14.569 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -7.717 10.652 14.040 1.00 0.00 N ATOM 0 H ARG B 3 -5.960 9.875 9.400 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.011 7.108 9.126 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -7.100 8.428 10.903 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -6.738 6.714 10.915 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -5.441 7.464 12.684 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -4.272 7.478 11.379 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -4.154 9.562 12.687 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -4.626 9.887 11.031 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.676 10.688 11.780 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -5.127 8.758 14.298 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -6.327 9.181 15.523 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -8.213 11.228 13.360 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -8.067 10.574 14.995 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.797 6.241 7.663 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.806 5.726 6.744 1.00 0.00 C ATOM 2321 C LEU B 4 -8.686 4.685 7.428 1.00 0.00 C ATOM 2322 O LEU B 4 -8.342 4.170 8.492 1.00 0.00 O ATOM 2323 CB LEU B 4 -7.137 5.115 5.511 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.672 6.103 4.441 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.733 5.421 3.457 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.867 6.701 3.712 1.00 0.00 C ATOM 0 H LEU B 4 -5.952 5.673 7.723 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.437 6.559 6.432 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.275 4.535 5.840 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.836 4.416 5.052 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.129 6.911 4.931 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.412 6.139 2.703 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.861 5.041 3.990 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.252 4.594 2.973 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.517 7.402 2.954 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.438 5.905 3.234 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.503 7.225 4.425 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.821 4.378 6.809 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.749 3.397 7.358 1.00 0.00 C ATOM 2340 C ARG B 5 -10.573 2.042 6.678 1.00 0.00 C ATOM 2341 O ARG B 5 -10.636 0.997 7.327 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.191 3.879 7.192 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.675 4.756 8.335 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.155 5.081 8.200 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.436 5.863 6.999 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.496 6.653 6.868 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.370 6.766 7.858 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -15.683 7.333 5.744 1.00 0.00 N ATOM 0 H ARG B 5 -10.120 4.794 5.927 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.531 3.283 8.420 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.274 4.435 6.258 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.847 3.013 7.107 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.498 4.250 9.284 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.099 5.681 8.355 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.729 4.155 8.172 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.486 5.634 9.079 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.783 5.799 6.218 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -16.230 6.245 8.724 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -17.183 7.374 7.754 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -15.013 7.249 4.980 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.497 7.939 5.644 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.354 2.067 5.367 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.169 0.841 4.599 1.00 0.00 C ATOM 2364 C HIS B 6 -8.911 0.923 3.739 1.00 0.00 C ATOM 2365 O HIS B 6 -8.358 2.004 3.532 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.389 0.579 3.715 1.00 0.00 C ATOM 2367 CG HIS B 6 -12.610 0.179 4.484 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -13.048 -1.126 4.575 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -13.487 0.919 5.202 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -14.142 -1.170 5.314 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -14.429 0.058 5.707 1.00 0.00 N ATOM 0 H HIS B 6 -10.300 2.923 4.815 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.054 0.015 5.301 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.610 1.478 3.139 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -11.147 -0.206 2.999 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -13.452 1.988 5.350 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -14.706 -2.059 5.556 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -15.222 0.323 6.291 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.464 -0.225 3.241 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.271 -0.283 2.405 1.00 0.00 C ATOM 2382 C PHE B 7 -7.619 -0.025 0.942 1.00 0.00 C ATOM 2383 O PHE B 7 -8.429 -0.728 0.337 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.590 -1.646 2.546 1.00 0.00 C ATOM 2385 CG PHE B 7 -5.120 -1.616 2.237 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.306 -0.630 2.772 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.553 -2.573 1.411 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.953 -0.600 2.490 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -3.201 -2.548 1.125 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.400 -1.560 1.664 1.00 0.00 C ATOM 0 H PHE B 7 -8.910 -1.128 3.402 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.585 0.495 2.740 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.732 -2.011 3.563 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -7.079 -2.358 1.881 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.734 0.124 3.417 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -5.174 -3.347 0.986 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.329 0.173 2.915 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.771 -3.300 0.481 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.344 -1.538 1.440 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.993 1.008 0.359 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.220 1.383 -1.040 1.00 0.00 C ATOM 2402 C PRO B 8 -6.648 0.360 -2.015 1.00 0.00 C ATOM 2403 O PRO B 8 -7.340 -0.097 -2.926 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.482 2.718 -1.173 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.430 2.676 -0.120 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.015 1.888 1.020 1.00 0.00 C ATOM 0 HA PRO B 8 -8.282 1.441 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.045 2.831 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.158 3.560 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.522 2.204 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.158 3.682 0.200 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.251 1.316 1.547 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.491 2.537 1.755 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.384 0.004 -1.818 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.719 -0.967 -2.681 1.00 0.00 C ATOM 2416 C CYS B 9 -5.384 -2.335 -2.573 1.00 0.00 C ATOM 2417 O CYS B 9 -5.948 -2.683 -1.537 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.238 -1.076 -2.315 1.00 0.00 C ATOM 2419 SG CYS B 9 -2.354 0.501 -2.341 1.00 0.00 S ATOM 0 H CYS B 9 -4.798 0.373 -1.069 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.806 -0.621 -3.711 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.152 -1.512 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.753 -1.764 -3.008 1.00 0.00 H new ATOM 0 HG CYS B 9 -1.110 0.307 -2.016 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.315 -3.108 -3.653 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.916 -4.428 -3.660 1.00 0.00 C ATOM 2427 C GLY B 10 -4.884 -5.536 -3.583 1.00 0.00 C ATOM 2428 O GLY B 10 -4.728 -6.176 -2.544 1.00 0.00 O ATOM 0 H GLY B 10 -4.853 -2.843 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.602 -4.516 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.508 -4.549 -4.567 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.178 -5.763 -4.686 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.157 -6.802 -4.739 1.00 0.00 C ATOM 2434 C ASN B 11 -2.098 -6.580 -3.664 1.00 0.00 C ATOM 2435 O ASN B 11 -1.192 -5.762 -3.829 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.499 -6.830 -6.120 1.00 0.00 C ATOM 2437 CG ASN B 11 -3.414 -7.406 -7.184 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -4.238 -8.277 -6.905 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -3.272 -6.921 -8.412 1.00 0.00 N ATOM 0 H ASN B 11 -4.294 -5.241 -5.555 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.641 -7.761 -4.555 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.210 -5.818 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.585 -7.421 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -3.859 -7.270 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.576 -6.199 -8.598 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.218 -7.313 -2.562 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.270 -7.197 -1.459 1.00 0.00 C ATOM 2448 C VAL B 12 -0.568 -8.525 -1.197 1.00 0.00 C ATOM 2449 O VAL B 12 -1.156 -9.593 -1.360 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.967 -6.733 -0.167 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -3.070 -7.704 0.224 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.954 -6.582 0.959 1.00 0.00 C ATOM 0 H VAL B 12 -2.962 -7.994 -2.409 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.532 -6.451 -1.752 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.422 -5.759 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.551 -7.359 1.139 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.808 -7.757 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.642 -8.693 0.389 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.463 -6.253 1.865 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.469 -7.541 1.143 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.203 -5.844 0.677 1.00 0.00 H new ATOM 2462 N ASN B 13 0.694 -8.450 -0.788 1.00 0.00 N ATOM 2463 CA ASN B 13 1.478 -9.646 -0.502 1.00 0.00 C ATOM 2464 C ASN B 13 1.829 -9.725 0.981 1.00 0.00 C ATOM 2465 O ASN B 13 2.952 -9.416 1.380 1.00 0.00 O ATOM 2466 CB ASN B 13 2.757 -9.656 -1.342 1.00 0.00 C ATOM 2467 CG ASN B 13 3.524 -8.352 -1.243 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.016 -7.358 -0.723 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.754 -8.350 -1.743 1.00 0.00 N ATOM 0 H ASN B 13 1.196 -7.573 -0.647 1.00 0.00 H new ATOM 0 HA ASN B 13 0.875 -10.516 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.396 -10.476 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.502 -9.846 -2.385 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.318 -7.501 -1.705 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.134 -9.197 -2.165 1.00 0.00 H new ATOM 2476 N TYR B 14 0.862 -10.141 1.791 1.00 0.00 N ATOM 2477 CA TYR B 14 1.068 -10.259 3.229 1.00 0.00 C ATOM 2478 C TYR B 14 2.468 -10.782 3.538 1.00 0.00 C ATOM 2479 O TYR B 14 2.899 -11.796 2.990 1.00 0.00 O ATOM 2480 CB TYR B 14 0.018 -11.187 3.842 1.00 0.00 C ATOM 2481 CG TYR B 14 -1.401 -10.829 3.462 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.932 -9.583 3.773 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -2.211 -11.737 2.791 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -3.228 -9.253 3.428 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -3.508 -11.415 2.441 1.00 0.00 C ATOM 2486 CZ TYR B 14 -4.012 -10.172 2.763 1.00 0.00 C ATOM 2487 OH TYR B 14 -5.304 -9.846 2.416 1.00 0.00 O ATOM 0 H TYR B 14 -0.072 -10.402 1.476 1.00 0.00 H new ATOM 0 HA TYR B 14 0.966 -9.266 3.667 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.222 -12.211 3.528 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.112 -11.162 4.928 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.321 -8.860 4.293 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.820 -12.712 2.539 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.625 -8.280 3.678 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -4.124 -12.132 1.918 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.719 -10.603 1.952 1.00 0.00 H new ATOM 2497 N GLY B 15 3.173 -10.083 4.422 1.00 0.00 N ATOM 2498 CA GLY B 15 4.515 -10.491 4.790 1.00 0.00 C ATOM 2499 C GLY B 15 4.549 -11.271 6.090 1.00 0.00 C ATOM 2500 O GLY B 15 4.320 -12.480 6.102 1.00 0.00 O ATOM 0 H GLY B 15 2.838 -9.241 4.890 1.00 0.00 H new ATOM 0 HA2 GLY B 15 4.937 -11.102 3.992 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.147 -9.608 4.883 1.00 0.00 H new