USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 813 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 30 SER OG : rot -20:sc= 0.476 USER MOD Set 1.2: A 72 SER OG : rot -114:sc= 0.672 USER MOD Set 1.3: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 ASN : amide:sc= 0.44 K(o=1.3,f=-4!) USER MOD Set 2.2: A 59 HIS : no HE2:sc= 0.903 K(o=1.3,f=-5.7!) USER MOD Set 3.1: A 55 TYR OH : rot -159:sc= 0.676 USER MOD Set 3.2: A 84 THR OG1 : rot 171:sc= 0.561 USER MOD Set 4.1: A 13 THR OG1 : rot -10:sc= 0.773 USER MOD Set 4.2: A 16 THR OG1 : rot 93:sc= 1.18 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.98) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 133:sc= 1.24 (180deg=0.0972) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 0.871 (180deg=0.558) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0.578 (180deg=0.554) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 69 THR OG1 : rot -33:sc= 0.00593 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.218 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.0472 X(o=0.047,f=0) USER MOD Single : A 86 CYS SG : rot 0:sc= -0.027 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.1) USER MOD Single : A 105 THR OG1 : rot 69:sc= -0.44 USER MOD ----------------------------------------------------------------- ATOM 152 N THR A 13 12.833 4.715 3.968 1.00 0.00 N ATOM 153 CA THR A 13 13.465 3.428 4.084 1.00 0.00 C ATOM 154 C THR A 13 12.378 2.354 4.165 1.00 0.00 C ATOM 155 O THR A 13 11.277 2.656 4.636 1.00 0.00 O ATOM 156 CB THR A 13 14.386 3.478 5.319 1.00 0.00 C ATOM 157 OG1 THR A 13 14.067 4.534 6.224 1.00 0.00 O ATOM 158 CG2 THR A 13 15.785 3.782 4.818 1.00 0.00 C ATOM 0 HA THR A 13 14.081 3.177 3.221 1.00 0.00 H new ATOM 0 HB THR A 13 14.280 2.526 5.840 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.412 5.133 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.472 3.827 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.104 2.998 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.785 4.740 4.299 1.00 0.00 H new ATOM 166 N PRO A 14 12.639 1.128 3.697 1.00 0.00 N ATOM 167 CA PRO A 14 11.618 0.106 3.531 1.00 0.00 C ATOM 168 C PRO A 14 10.980 -0.227 4.876 1.00 0.00 C ATOM 169 O PRO A 14 9.766 -0.111 5.023 1.00 0.00 O ATOM 170 CB PRO A 14 12.290 -1.085 2.836 1.00 0.00 C ATOM 171 CG PRO A 14 13.789 -0.778 2.867 1.00 0.00 C ATOM 172 CD PRO A 14 13.904 0.721 3.133 1.00 0.00 C ATOM 0 HA PRO A 14 10.789 0.441 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.069 -2.018 3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.932 -1.196 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.289 -1.352 3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.262 -1.044 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.723 0.933 3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.113 1.265 2.212 1.00 0.00 H new ATOM 180 N SER A 15 11.774 -0.548 5.895 1.00 0.00 N ATOM 181 CA SER A 15 11.240 -0.971 7.185 1.00 0.00 C ATOM 182 C SER A 15 10.670 0.190 8.024 1.00 0.00 C ATOM 183 O SER A 15 10.335 -0.010 9.190 1.00 0.00 O ATOM 184 CB SER A 15 12.301 -1.790 7.925 1.00 0.00 C ATOM 185 OG SER A 15 12.982 -2.646 7.017 1.00 0.00 O ATOM 0 H SER A 15 12.793 -0.523 5.851 1.00 0.00 H new ATOM 0 HA SER A 15 10.375 -1.609 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.013 -1.122 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.832 -2.381 8.711 1.00 0.00 H new ATOM 0 HG SER A 15 13.659 -3.164 7.501 1.00 0.00 H new ATOM 191 N THR A 16 10.550 1.406 7.472 1.00 0.00 N ATOM 192 CA THR A 16 9.643 2.417 8.018 1.00 0.00 C ATOM 193 C THR A 16 8.224 1.810 8.128 1.00 0.00 C ATOM 194 O THR A 16 7.812 1.041 7.267 1.00 0.00 O ATOM 195 CB THR A 16 9.657 3.641 7.079 1.00 0.00 C ATOM 196 OG1 THR A 16 10.956 4.149 6.867 1.00 0.00 O ATOM 197 CG2 THR A 16 8.812 4.814 7.566 1.00 0.00 C ATOM 0 H THR A 16 11.070 1.710 6.649 1.00 0.00 H new ATOM 0 HA THR A 16 9.958 2.733 9.012 1.00 0.00 H new ATOM 0 HB THR A 16 9.233 3.243 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.338 3.744 6.061 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.877 5.632 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.773 4.498 7.663 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.181 5.151 8.535 1.00 0.00 H new ATOM 205 N TYR A 17 7.441 2.165 9.149 1.00 0.00 N ATOM 206 CA TYR A 17 6.018 1.807 9.262 1.00 0.00 C ATOM 207 C TYR A 17 5.172 2.697 8.339 1.00 0.00 C ATOM 208 O TYR A 17 5.509 3.867 8.162 1.00 0.00 O ATOM 209 CB TYR A 17 5.580 2.056 10.710 1.00 0.00 C ATOM 210 CG TYR A 17 5.713 0.906 11.687 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.875 0.112 11.737 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.659 0.655 12.585 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.949 -0.965 12.641 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.751 -0.376 13.531 1.00 0.00 C ATOM 215 CZ TYR A 17 5.880 -1.220 13.532 1.00 0.00 C ATOM 216 OH TYR A 17 5.920 -2.266 14.400 1.00 0.00 O ATOM 0 H TYR A 17 7.780 2.719 9.936 1.00 0.00 H new ATOM 0 HA TYR A 17 5.880 0.763 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.158 2.895 11.097 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.536 2.368 10.697 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.707 0.329 11.084 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.768 1.264 12.545 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.824 -1.598 12.654 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.962 -0.522 14.254 1.00 0.00 H new ATOM 0 HH TYR A 17 5.097 -2.281 14.932 1.00 0.00 H new ATOM 226 N ILE A 18 4.017 2.226 7.852 1.00 0.00 N ATOM 227 CA ILE A 18 3.112 3.054 7.042 1.00 0.00 C ATOM 228 C ILE A 18 2.648 4.255 7.860 1.00 0.00 C ATOM 229 O ILE A 18 2.728 5.384 7.390 1.00 0.00 O ATOM 230 CB ILE A 18 1.857 2.311 6.525 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.065 0.832 6.158 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.262 3.094 5.339 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.796 0.662 4.838 1.00 0.00 C ATOM 0 H ILE A 18 3.686 1.273 8.005 1.00 0.00 H new ATOM 0 HA ILE A 18 3.692 3.351 6.168 1.00 0.00 H new ATOM 0 HB ILE A 18 1.161 2.278 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.630 0.340 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.097 0.335 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.377 2.577 4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.986 4.096 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.002 3.164 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.918 -0.400 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.219 1.129 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.776 1.134 4.901 1.00 0.00 H new ATOM 245 N ARG A 19 2.206 4.035 9.105 1.00 0.00 N ATOM 246 CA ARG A 19 1.735 5.119 9.974 1.00 0.00 C ATOM 247 C ARG A 19 2.840 6.122 10.322 1.00 0.00 C ATOM 248 O ARG A 19 2.558 7.156 10.923 1.00 0.00 O ATOM 249 CB ARG A 19 1.095 4.560 11.258 1.00 0.00 C ATOM 250 CG ARG A 19 2.078 3.677 12.039 1.00 0.00 C ATOM 251 CD ARG A 19 1.792 3.627 13.536 1.00 0.00 C ATOM 252 NE ARG A 19 2.935 3.001 14.216 1.00 0.00 N ATOM 253 CZ ARG A 19 3.052 2.777 15.522 1.00 0.00 C ATOM 254 NH1 ARG A 19 2.149 3.226 16.373 1.00 0.00 N ATOM 255 NH2 ARG A 19 4.110 2.111 15.965 1.00 0.00 N ATOM 0 H ARG A 19 2.165 3.110 9.534 1.00 0.00 H new ATOM 0 HA ARG A 19 0.977 5.660 9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.764 5.385 11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.209 3.980 11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.044 2.665 11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.091 4.048 11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.628 4.633 13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.882 3.059 13.728 1.00 0.00 H new ATOM 0 HE ARG A 19 3.716 2.709 13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.345 3.754 16.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.255 3.045 17.371 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.816 1.780 15.308 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.217 1.930 16.963 1.00 0.00 H new ATOM 269 N ASN A 20 4.107 5.806 10.030 1.00 0.00 N ATOM 270 CA ASN A 20 5.202 6.744 10.230 1.00 0.00 C ATOM 271 C ASN A 20 5.244 7.760 9.091 1.00 0.00 C ATOM 272 O ASN A 20 5.734 8.873 9.301 1.00 0.00 O ATOM 273 CB ASN A 20 6.540 5.994 10.288 1.00 0.00 C ATOM 274 CG ASN A 20 7.599 6.780 11.044 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.535 7.324 10.461 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.491 6.811 12.361 1.00 0.00 N ATOM 0 H ASN A 20 4.393 4.902 9.653 1.00 0.00 H new ATOM 0 HA ASN A 20 5.038 7.265 11.173 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.393 5.027 10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.889 5.796 9.275 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.195 7.295 12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.704 6.351 12.819 1.00 0.00 H new ATOM 283 N LEU A 21 4.764 7.367 7.900 1.00 0.00 N ATOM 284 CA LEU A 21 4.752 8.199 6.710 1.00 0.00 C ATOM 285 C LEU A 21 3.915 9.425 6.992 1.00 0.00 C ATOM 286 O LEU A 21 2.741 9.321 7.351 1.00 0.00 O ATOM 287 CB LEU A 21 4.230 7.476 5.454 1.00 0.00 C ATOM 288 CG LEU A 21 5.126 6.342 4.918 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.704 5.997 3.486 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.598 6.776 4.893 1.00 0.00 C ATOM 0 H LEU A 21 4.367 6.440 7.746 1.00 0.00 H new ATOM 0 HA LEU A 21 5.784 8.469 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.246 7.063 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.095 8.213 4.662 1.00 0.00 H new ATOM 0 HG LEU A 21 5.015 5.479 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.336 5.195 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.663 5.673 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.812 6.877 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.212 5.960 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.710 7.647 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.920 7.030 5.903 1.00 0.00 H new ATOM 302 N ASN A 22 4.540 10.590 6.855 1.00 0.00 N ATOM 303 CA ASN A 22 3.918 11.844 7.241 1.00 0.00 C ATOM 304 C ASN A 22 2.683 12.103 6.383 1.00 0.00 C ATOM 305 O ASN A 22 2.619 11.642 5.238 1.00 0.00 O ATOM 306 CB ASN A 22 4.940 12.978 7.068 1.00 0.00 C ATOM 307 CG ASN A 22 4.920 13.966 8.221 1.00 0.00 C ATOM 308 OD1 ASN A 22 4.736 13.570 9.369 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.138 15.237 7.948 1.00 0.00 N ATOM 0 H ASN A 22 5.482 10.688 6.477 1.00 0.00 H new ATOM 0 HA ASN A 22 3.603 11.795 8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.939 12.551 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.735 13.508 6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.158 15.924 8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.287 15.533 6.983 1.00 0.00 H new ATOM 316 N VAL A 23 1.736 12.915 6.860 1.00 0.00 N ATOM 317 CA VAL A 23 0.554 13.265 6.084 1.00 0.00 C ATOM 318 C VAL A 23 0.933 13.890 4.732 1.00 0.00 C ATOM 319 O VAL A 23 0.227 13.672 3.752 1.00 0.00 O ATOM 320 CB VAL A 23 -0.383 14.135 6.944 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.169 15.543 7.209 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.780 14.189 6.325 1.00 0.00 C ATOM 0 H VAL A 23 1.770 13.342 7.786 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.001 12.364 5.824 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.450 13.656 7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.539 16.103 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.121 15.468 7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.318 16.060 6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.429 14.807 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.718 14.617 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.190 13.181 6.264 1.00 0.00 H new ATOM 332 N GLY A 24 2.071 14.588 4.631 1.00 0.00 N ATOM 333 CA GLY A 24 2.574 15.092 3.361 1.00 0.00 C ATOM 334 C GLY A 24 2.790 13.969 2.349 1.00 0.00 C ATOM 335 O GLY A 24 2.408 14.109 1.188 1.00 0.00 O ATOM 0 H GLY A 24 2.663 14.815 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.870 15.817 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.514 15.618 3.526 1.00 0.00 H new ATOM 339 N ILE A 25 3.376 12.849 2.770 1.00 0.00 N ATOM 340 CA ILE A 25 3.603 11.677 1.930 1.00 0.00 C ATOM 341 C ILE A 25 2.258 11.006 1.640 1.00 0.00 C ATOM 342 O ILE A 25 2.020 10.597 0.510 1.00 0.00 O ATOM 343 CB ILE A 25 4.606 10.729 2.600 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.866 11.481 3.065 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.022 9.597 1.644 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.530 12.428 2.058 1.00 0.00 C ATOM 0 H ILE A 25 3.713 12.730 3.725 1.00 0.00 H new ATOM 0 HA ILE A 25 4.044 11.970 0.977 1.00 0.00 H new ATOM 0 HB ILE A 25 4.106 10.302 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.606 12.059 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.606 10.742 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.733 8.940 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.141 9.024 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.486 10.024 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.404 12.891 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.837 11.865 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.821 13.203 1.765 1.00 0.00 H new ATOM 358 N LEU A 26 1.346 10.951 2.616 1.00 0.00 N ATOM 359 CA LEU A 26 0.004 10.399 2.425 1.00 0.00 C ATOM 360 C LEU A 26 -0.783 11.186 1.370 1.00 0.00 C ATOM 361 O LEU A 26 -1.560 10.593 0.617 1.00 0.00 O ATOM 362 CB LEU A 26 -0.754 10.377 3.766 1.00 0.00 C ATOM 363 CG LEU A 26 -0.379 9.224 4.716 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.044 9.414 6.083 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.838 7.861 4.186 1.00 0.00 C ATOM 0 H LEU A 26 1.520 11.289 3.562 1.00 0.00 H new ATOM 0 HA LEU A 26 0.107 9.377 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.577 11.322 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.823 10.322 3.559 1.00 0.00 H new ATOM 0 HG LEU A 26 0.708 9.243 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.767 8.590 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.712 10.355 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.127 9.433 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.550 7.081 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.922 7.862 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.369 7.669 3.221 1.00 0.00 H new ATOM 377 N ARG A 27 -0.626 12.513 1.299 1.00 0.00 N ATOM 378 CA ARG A 27 -1.206 13.338 0.232 1.00 0.00 C ATOM 379 C ARG A 27 -0.597 12.946 -1.109 1.00 0.00 C ATOM 380 O ARG A 27 -1.332 12.765 -2.079 1.00 0.00 O ATOM 381 CB ARG A 27 -0.977 14.838 0.497 1.00 0.00 C ATOM 382 CG ARG A 27 -1.674 15.418 1.741 1.00 0.00 C ATOM 383 CD ARG A 27 -3.140 15.800 1.534 1.00 0.00 C ATOM 384 NE ARG A 27 -4.040 14.643 1.498 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.338 14.698 1.191 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.961 15.866 1.068 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.986 13.561 0.998 1.00 0.00 N ATOM 0 H ARG A 27 -0.091 13.048 1.983 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.281 13.162 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.095 15.010 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.313 15.396 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.614 14.688 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.126 16.301 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.451 16.469 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.236 16.355 0.601 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.646 13.730 1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.447 16.736 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.953 15.893 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.493 12.672 1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.978 13.573 0.762 1.00 0.00 H new ATOM 401 N LYS A 28 0.731 12.802 -1.161 1.00 0.00 N ATOM 402 CA LYS A 28 1.452 12.424 -2.373 1.00 0.00 C ATOM 403 C LYS A 28 0.940 11.088 -2.892 1.00 0.00 C ATOM 404 O LYS A 28 0.479 11.000 -4.021 1.00 0.00 O ATOM 405 CB LYS A 28 2.955 12.371 -2.129 1.00 0.00 C ATOM 406 CG LYS A 28 3.500 13.740 -1.727 1.00 0.00 C ATOM 407 CD LYS A 28 4.619 14.242 -2.632 1.00 0.00 C ATOM 408 CE LYS A 28 4.014 14.986 -3.828 1.00 0.00 C ATOM 409 NZ LYS A 28 5.022 15.772 -4.559 1.00 0.00 N ATOM 0 H LYS A 28 1.338 12.947 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 28 1.270 13.186 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.173 11.646 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.460 12.027 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.685 14.463 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.868 13.688 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.282 14.905 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.224 13.404 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.554 14.267 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.222 15.648 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.570 16.258 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.444 16.476 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.766 15.138 -4.915 1.00 0.00 H new ATOM 423 N LEU A 29 1.006 10.051 -2.059 1.00 0.00 N ATOM 424 CA LEU A 29 0.535 8.707 -2.369 1.00 0.00 C ATOM 425 C LEU A 29 -0.897 8.703 -2.872 1.00 0.00 C ATOM 426 O LEU A 29 -1.155 8.097 -3.912 1.00 0.00 O ATOM 427 CB LEU A 29 0.678 7.801 -1.134 1.00 0.00 C ATOM 428 CG LEU A 29 1.956 6.952 -1.156 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.827 5.815 -2.177 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.221 7.767 -1.445 1.00 0.00 C ATOM 0 H LEU A 29 1.401 10.128 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 29 1.157 8.317 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.674 8.418 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.188 7.142 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 29 2.065 6.541 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.742 5.223 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.984 5.179 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.663 6.234 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.088 7.106 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.130 8.247 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.347 8.529 -0.675 1.00 0.00 H new ATOM 442 N SER A 30 -1.823 9.374 -2.178 1.00 0.00 N ATOM 443 CA SER A 30 -3.206 9.380 -2.624 1.00 0.00 C ATOM 444 C SER A 30 -3.347 9.979 -4.013 1.00 0.00 C ATOM 445 O SER A 30 -4.272 9.585 -4.704 1.00 0.00 O ATOM 446 CB SER A 30 -4.142 10.074 -1.633 1.00 0.00 C ATOM 447 OG SER A 30 -5.488 9.788 -1.968 1.00 0.00 O ATOM 0 H SER A 30 -1.640 9.905 -1.327 1.00 0.00 H new ATOM 0 HA SER A 30 -3.512 8.335 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.930 9.735 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.973 11.151 -1.651 1.00 0.00 H new ATOM 0 HG SER A 30 -5.537 9.491 -2.901 1.00 0.00 H new ATOM 453 N ASP A 31 -2.457 10.866 -4.445 1.00 0.00 N ATOM 454 CA ASP A 31 -2.537 11.478 -5.763 1.00 0.00 C ATOM 455 C ASP A 31 -2.343 10.452 -6.888 1.00 0.00 C ATOM 456 O ASP A 31 -2.841 10.647 -7.995 1.00 0.00 O ATOM 457 CB ASP A 31 -1.490 12.595 -5.836 1.00 0.00 C ATOM 458 CG ASP A 31 -1.920 13.809 -6.654 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.929 13.766 -7.393 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.287 14.870 -6.450 1.00 0.00 O ATOM 0 H ASP A 31 -1.661 11.180 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.534 11.894 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.252 12.920 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.573 12.190 -6.264 1.00 0.00 H new ATOM 465 N PHE A 32 -1.632 9.350 -6.609 1.00 0.00 N ATOM 466 CA PHE A 32 -1.273 8.332 -7.596 1.00 0.00 C ATOM 467 C PHE A 32 -2.079 7.042 -7.413 1.00 0.00 C ATOM 468 O PHE A 32 -2.126 6.233 -8.335 1.00 0.00 O ATOM 469 CB PHE A 32 0.227 7.994 -7.491 1.00 0.00 C ATOM 470 CG PHE A 32 1.240 9.133 -7.506 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.925 10.426 -7.977 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.544 8.873 -7.042 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.890 11.449 -7.928 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.522 9.882 -7.043 1.00 0.00 C ATOM 475 CZ PHE A 32 3.190 11.177 -7.473 1.00 0.00 C ATOM 0 H PHE A 32 -1.286 9.141 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.503 8.748 -8.577 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.375 7.433 -6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.472 7.323 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.058 10.630 -8.375 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.795 7.887 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.629 12.449 -8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.527 9.662 -6.714 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.932 11.961 -7.454 1.00 0.00 H new ATOM 485 N ILE A 33 -2.641 6.825 -6.218 1.00 0.00 N ATOM 486 CA ILE A 33 -3.381 5.624 -5.821 1.00 0.00 C ATOM 487 C ILE A 33 -4.900 5.854 -5.878 1.00 0.00 C ATOM 488 O ILE A 33 -5.674 4.902 -5.967 1.00 0.00 O ATOM 489 CB ILE A 33 -2.887 5.210 -4.419 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.373 4.905 -4.377 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.641 4.038 -3.784 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.956 3.663 -5.165 1.00 0.00 C ATOM 0 H ILE A 33 -2.589 7.514 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.191 4.809 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.101 6.097 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.830 5.766 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.069 4.780 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.220 3.824 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.694 4.298 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.546 3.157 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.122 3.524 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.467 2.788 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.225 3.790 -6.214 1.00 0.00 H new ATOM 504 N ASP A 34 -5.346 7.107 -5.804 1.00 0.00 N ATOM 505 CA ASP A 34 -6.713 7.501 -6.127 1.00 0.00 C ATOM 506 C ASP A 34 -7.081 7.106 -7.568 1.00 0.00 C ATOM 507 O ASP A 34 -8.074 6.390 -7.740 1.00 0.00 O ATOM 508 CB ASP A 34 -6.882 8.998 -5.854 1.00 0.00 C ATOM 509 CG ASP A 34 -8.220 9.528 -6.318 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.163 9.477 -5.495 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.281 10.028 -7.461 1.00 0.00 O ATOM 0 H ASP A 34 -4.757 7.888 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.413 6.964 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.773 9.183 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.085 9.547 -6.355 1.00 0.00 H new ATOM 516 N PRO A 35 -6.311 7.495 -8.606 1.00 0.00 N ATOM 517 CA PRO A 35 -6.580 7.054 -9.967 1.00 0.00 C ATOM 518 C PRO A 35 -6.272 5.570 -10.164 1.00 0.00 C ATOM 519 O PRO A 35 -5.642 4.927 -9.321 1.00 0.00 O ATOM 520 CB PRO A 35 -5.711 7.940 -10.863 1.00 0.00 C ATOM 521 CG PRO A 35 -4.509 8.234 -9.975 1.00 0.00 C ATOM 522 CD PRO A 35 -5.174 8.408 -8.614 1.00 0.00 C ATOM 0 HA PRO A 35 -7.638 7.153 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.421 7.428 -11.781 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.230 8.852 -11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.787 7.417 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.976 9.131 -10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.480 8.174 -7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.499 9.438 -8.467 1.00 0.00 H new ATOM 530 N GLN A 36 -6.723 5.032 -11.304 1.00 0.00 N ATOM 531 CA GLN A 36 -6.627 3.617 -11.670 1.00 0.00 C ATOM 532 C GLN A 36 -7.246 2.689 -10.618 1.00 0.00 C ATOM 533 O GLN A 36 -6.994 1.480 -10.654 1.00 0.00 O ATOM 534 CB GLN A 36 -5.166 3.229 -11.984 1.00 0.00 C ATOM 535 CG GLN A 36 -4.568 3.998 -13.172 1.00 0.00 C ATOM 536 CD GLN A 36 -3.286 4.746 -12.812 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.316 4.169 -12.325 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.212 6.035 -13.093 1.00 0.00 N ATOM 0 H GLN A 36 -7.181 5.593 -12.022 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.217 3.482 -12.576 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.553 3.408 -11.100 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.119 2.160 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.360 3.299 -13.982 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.305 4.709 -13.546 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.016 6.516 -13.497 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.351 6.549 -12.906 1.00 0.00 H new ATOM 547 N GLU A 37 -8.047 3.215 -9.680 1.00 0.00 N ATOM 548 CA GLU A 37 -8.508 2.482 -8.511 1.00 0.00 C ATOM 549 C GLU A 37 -7.323 1.789 -7.807 1.00 0.00 C ATOM 550 O GLU A 37 -7.437 0.670 -7.302 1.00 0.00 O ATOM 551 CB GLU A 37 -9.669 1.569 -8.952 1.00 0.00 C ATOM 552 CG GLU A 37 -11.001 2.317 -8.911 1.00 0.00 C ATOM 553 CD GLU A 37 -12.030 1.671 -9.837 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.721 0.723 -9.394 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.154 2.090 -11.007 1.00 0.00 O ATOM 0 H GLU A 37 -8.392 4.174 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.912 3.137 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.485 1.203 -9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.718 0.697 -8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.383 2.327 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.846 3.355 -9.204 1.00 0.00 H new ATOM 562 N GLY A 38 -6.168 2.465 -7.761 1.00 0.00 N ATOM 563 CA GLY A 38 -4.958 1.998 -7.100 1.00 0.00 C ATOM 564 C GLY A 38 -5.236 1.564 -5.662 1.00 0.00 C ATOM 565 O GLY A 38 -4.665 0.583 -5.193 1.00 0.00 O ATOM 0 H GLY A 38 -6.054 3.379 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.537 1.162 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.211 2.792 -7.103 1.00 0.00 H new ATOM 569 N TRP A 39 -6.132 2.250 -4.953 1.00 0.00 N ATOM 570 CA TRP A 39 -6.546 1.897 -3.616 1.00 0.00 C ATOM 571 C TRP A 39 -7.293 0.561 -3.572 1.00 0.00 C ATOM 572 O TRP A 39 -7.052 -0.244 -2.671 1.00 0.00 O ATOM 573 CB TRP A 39 -7.411 3.019 -3.051 1.00 0.00 C ATOM 574 CG TRP A 39 -8.762 3.231 -3.670 1.00 0.00 C ATOM 575 CD1 TRP A 39 -9.077 3.987 -4.747 1.00 0.00 C ATOM 576 CD2 TRP A 39 -10.010 2.625 -3.237 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.433 3.863 -5.012 1.00 0.00 N ATOM 578 CE2 TRP A 39 -11.052 2.996 -4.126 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.323 1.729 -2.202 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.353 2.475 -3.981 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.605 1.145 -2.092 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.636 1.565 -2.948 1.00 0.00 C ATOM 0 H TRP A 39 -6.595 3.085 -5.311 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.653 1.772 -3.003 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.554 2.830 -1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.852 3.951 -3.137 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.382 4.592 -5.311 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.915 4.351 -5.767 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.566 1.480 -1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -13.134 2.775 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.791 0.379 -1.353 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.640 1.191 -2.813 1.00 0.00 H new ATOM 593 N LYS A 40 -8.203 0.298 -4.521 1.00 0.00 N ATOM 594 CA LYS A 40 -8.873 -0.999 -4.624 1.00 0.00 C ATOM 595 C LYS A 40 -7.839 -2.079 -4.901 1.00 0.00 C ATOM 596 O LYS A 40 -7.958 -3.163 -4.333 1.00 0.00 O ATOM 597 CB LYS A 40 -10.014 -0.993 -5.667 1.00 0.00 C ATOM 598 CG LYS A 40 -11.362 -0.665 -5.012 1.00 0.00 C ATOM 599 CD LYS A 40 -12.625 -1.096 -5.781 1.00 0.00 C ATOM 600 CE LYS A 40 -13.471 0.083 -6.286 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.332 -0.269 -7.438 1.00 0.00 N ATOM 0 H LYS A 40 -8.490 0.973 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.357 -1.217 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.796 -0.260 -6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.070 -1.967 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.386 -1.133 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.411 0.412 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.330 -1.711 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.239 -1.721 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.096 0.448 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.809 0.901 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.294 0.090 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.946 0.159 -8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.362 -1.303 -7.546 1.00 0.00 H new ATOM 615 N LYS A 41 -6.809 -1.787 -5.701 1.00 0.00 N ATOM 616 CA LYS A 41 -5.761 -2.735 -6.046 1.00 0.00 C ATOM 617 C LYS A 41 -4.896 -3.048 -4.831 1.00 0.00 C ATOM 618 O LYS A 41 -4.654 -4.214 -4.531 1.00 0.00 O ATOM 619 CB LYS A 41 -4.907 -2.144 -7.159 1.00 0.00 C ATOM 620 CG LYS A 41 -5.470 -2.362 -8.558 1.00 0.00 C ATOM 621 CD LYS A 41 -4.789 -1.340 -9.477 1.00 0.00 C ATOM 622 CE LYS A 41 -4.973 -1.625 -10.963 1.00 0.00 C ATOM 623 NZ LYS A 41 -4.009 -2.612 -11.511 1.00 0.00 N ATOM 0 H LYS A 41 -6.684 -0.870 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.216 -3.666 -6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.795 -1.074 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.910 -2.581 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.274 -3.379 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.552 -2.227 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.183 -0.348 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.723 -1.317 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.986 -1.990 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.876 -0.691 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.907 -2.466 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.085 -2.488 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.358 -3.575 -11.332 1.00 0.00 H new ATOM 637 N LEU A 42 -4.376 -2.021 -4.159 1.00 0.00 N ATOM 638 CA LEU A 42 -3.481 -2.163 -3.031 1.00 0.00 C ATOM 639 C LEU A 42 -4.195 -2.929 -1.924 1.00 0.00 C ATOM 640 O LEU A 42 -3.697 -3.959 -1.483 1.00 0.00 O ATOM 641 CB LEU A 42 -3.021 -0.749 -2.646 1.00 0.00 C ATOM 642 CG LEU A 42 -1.848 -0.626 -1.662 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.324 -0.211 -0.269 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.897 -1.827 -1.601 1.00 0.00 C ATOM 0 H LEU A 42 -4.575 -1.049 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.589 -2.748 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.748 -0.224 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.875 -0.223 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.235 0.172 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.467 -0.134 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.826 0.755 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.019 -0.958 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.108 -1.630 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.452 -2.716 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.453 -1.990 -2.583 1.00 0.00 H new ATOM 656 N ALA A 43 -5.397 -2.494 -1.537 1.00 0.00 N ATOM 657 CA ALA A 43 -6.188 -3.189 -0.535 1.00 0.00 C ATOM 658 C ALA A 43 -6.412 -4.667 -0.858 1.00 0.00 C ATOM 659 O ALA A 43 -6.205 -5.499 0.020 1.00 0.00 O ATOM 660 CB ALA A 43 -7.512 -2.477 -0.345 1.00 0.00 C ATOM 0 H ALA A 43 -5.841 -1.655 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.618 -3.167 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.102 -3.001 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.331 -1.454 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.057 -2.463 -1.289 1.00 0.00 H new ATOM 666 N VAL A 44 -6.835 -5.023 -2.077 1.00 0.00 N ATOM 667 CA VAL A 44 -7.111 -6.392 -2.432 1.00 0.00 C ATOM 668 C VAL A 44 -5.824 -7.224 -2.562 1.00 0.00 C ATOM 669 O VAL A 44 -5.878 -8.447 -2.433 1.00 0.00 O ATOM 670 CB VAL A 44 -8.029 -6.340 -3.670 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.350 -6.112 -5.018 1.00 0.00 C ATOM 672 CG2 VAL A 44 -8.880 -7.582 -3.741 1.00 0.00 C ATOM 0 H VAL A 44 -6.991 -4.359 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.641 -6.934 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.630 -5.445 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.103 -6.096 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.821 -5.159 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.641 -6.918 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.523 -7.533 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.238 -8.460 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.495 -7.653 -2.844 1.00 0.00 H new ATOM 682 N ALA A 45 -4.662 -6.585 -2.739 1.00 0.00 N ATOM 683 CA ALA A 45 -3.370 -7.260 -2.731 1.00 0.00 C ATOM 684 C ALA A 45 -2.953 -7.623 -1.302 1.00 0.00 C ATOM 685 O ALA A 45 -2.306 -8.648 -1.097 1.00 0.00 O ATOM 686 CB ALA A 45 -2.316 -6.344 -3.370 1.00 0.00 C ATOM 0 H ALA A 45 -4.597 -5.579 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.451 -8.183 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.348 -6.845 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.604 -6.119 -4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.247 -5.417 -2.801 1.00 0.00 H new ATOM 692 N ILE A 46 -3.291 -6.779 -0.324 1.00 0.00 N ATOM 693 CA ILE A 46 -2.919 -6.944 1.075 1.00 0.00 C ATOM 694 C ILE A 46 -3.690 -8.139 1.645 1.00 0.00 C ATOM 695 O ILE A 46 -4.915 -8.099 1.800 1.00 0.00 O ATOM 696 CB ILE A 46 -3.168 -5.624 1.841 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.167 -4.545 1.382 1.00 0.00 C ATOM 698 CG2 ILE A 46 -3.004 -5.814 3.350 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.640 -3.120 1.671 1.00 0.00 C ATOM 0 H ILE A 46 -3.846 -5.940 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.856 -7.160 1.182 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.191 -5.314 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.211 -4.711 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.993 -4.653 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.186 -4.867 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.718 -6.558 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.991 -6.153 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.890 -2.410 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.581 -2.937 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.787 -2.996 2.744 1.00 0.00 H new ATOM 711 N LYS A 47 -2.968 -9.208 1.986 1.00 0.00 N ATOM 712 CA LYS A 47 -3.550 -10.398 2.597 1.00 0.00 C ATOM 713 C LYS A 47 -3.171 -10.484 4.067 1.00 0.00 C ATOM 714 O LYS A 47 -2.176 -9.893 4.502 1.00 0.00 O ATOM 715 CB LYS A 47 -3.124 -11.661 1.832 1.00 0.00 C ATOM 716 CG LYS A 47 -3.575 -11.673 0.365 1.00 0.00 C ATOM 717 CD LYS A 47 -5.093 -11.807 0.231 1.00 0.00 C ATOM 718 CE LYS A 47 -5.500 -11.830 -1.238 1.00 0.00 C ATOM 719 NZ LYS A 47 -6.857 -12.389 -1.396 1.00 0.00 N ATOM 0 H LYS A 47 -1.960 -9.270 1.844 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.636 -10.324 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.038 -11.750 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.533 -12.536 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.248 -10.754 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.091 -12.499 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.428 -12.721 0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.583 -10.976 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.468 -10.819 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.787 -12.426 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.168 -12.272 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.846 -13.400 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.514 -11.889 -0.764 1.00 0.00 H new ATOM 733 N LYS A 48 -3.989 -11.173 4.860 1.00 0.00 N ATOM 734 CA LYS A 48 -3.657 -11.516 6.235 1.00 0.00 C ATOM 735 C LYS A 48 -2.421 -12.407 6.240 1.00 0.00 C ATOM 736 O LYS A 48 -2.090 -12.979 5.205 1.00 0.00 O ATOM 737 CB LYS A 48 -4.854 -12.208 6.899 1.00 0.00 C ATOM 738 CG LYS A 48 -5.885 -11.178 7.350 1.00 0.00 C ATOM 739 CD LYS A 48 -6.757 -11.691 8.490 1.00 0.00 C ATOM 740 CE LYS A 48 -7.612 -10.502 8.918 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.391 -10.771 10.137 1.00 0.00 N ATOM 0 H LYS A 48 -4.905 -11.509 4.562 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.435 -10.615 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.312 -12.907 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.515 -12.791 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.373 -10.270 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.518 -10.907 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.379 -12.524 8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.147 -12.054 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.968 -9.639 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.292 -10.239 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.953 -9.931 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.027 -11.577 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.744 -10.996 10.920 1.00 0.00 H new ATOM 755 N PRO A 49 -1.777 -12.598 7.397 1.00 0.00 N ATOM 756 CA PRO A 49 -0.584 -13.416 7.483 1.00 0.00 C ATOM 757 C PRO A 49 -0.902 -14.919 7.403 1.00 0.00 C ATOM 758 O PRO A 49 0.020 -15.728 7.302 1.00 0.00 O ATOM 759 CB PRO A 49 0.092 -12.977 8.782 1.00 0.00 C ATOM 760 CG PRO A 49 -1.013 -12.372 9.648 1.00 0.00 C ATOM 761 CD PRO A 49 -2.172 -12.098 8.702 1.00 0.00 C ATOM 0 HA PRO A 49 0.089 -13.272 6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.561 -13.824 9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.878 -12.247 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.309 -13.058 10.441 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.675 -11.454 10.130 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.079 -12.595 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.390 -11.031 8.657 1.00 0.00 H new ATOM 769 N SER A 50 -2.179 -15.317 7.432 1.00 0.00 N ATOM 770 CA SER A 50 -2.615 -16.653 7.028 1.00 0.00 C ATOM 771 C SER A 50 -2.841 -16.734 5.507 1.00 0.00 C ATOM 772 O SER A 50 -2.791 -17.825 4.945 1.00 0.00 O ATOM 773 CB SER A 50 -3.914 -17.018 7.758 1.00 0.00 C ATOM 774 OG SER A 50 -3.907 -16.549 9.098 1.00 0.00 O ATOM 0 H SER A 50 -2.942 -14.714 7.739 1.00 0.00 H new ATOM 0 HA SER A 50 -1.828 -17.358 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.764 -16.590 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.045 -18.100 7.751 1.00 0.00 H new ATOM 0 HG SER A 50 -4.749 -16.796 9.535 1.00 0.00 H new ATOM 780 N GLY A 51 -3.054 -15.596 4.837 1.00 0.00 N ATOM 781 CA GLY A 51 -3.294 -15.475 3.405 1.00 0.00 C ATOM 782 C GLY A 51 -4.699 -14.972 3.053 1.00 0.00 C ATOM 783 O GLY A 51 -5.032 -14.955 1.868 1.00 0.00 O ATOM 0 H GLY A 51 -3.063 -14.691 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.557 -14.794 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.138 -16.447 2.937 1.00 0.00 H new ATOM 787 N ASP A 52 -5.546 -14.609 4.024 1.00 0.00 N ATOM 788 CA ASP A 52 -6.955 -14.214 3.815 1.00 0.00 C ATOM 789 C ASP A 52 -7.060 -12.812 3.203 1.00 0.00 C ATOM 790 O ASP A 52 -6.104 -12.042 3.280 1.00 0.00 O ATOM 791 CB ASP A 52 -7.742 -14.194 5.141 1.00 0.00 C ATOM 792 CG ASP A 52 -7.339 -15.310 6.094 1.00 0.00 C ATOM 793 OD1 ASP A 52 -7.728 -16.471 5.833 1.00 0.00 O ATOM 794 OD2 ASP A 52 -6.550 -15.002 7.014 1.00 0.00 O ATOM 0 H ASP A 52 -5.268 -14.579 5.005 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.376 -14.957 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.590 -13.233 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.807 -14.276 4.925 1.00 0.00 H new ATOM 799 N ASP A 53 -8.227 -12.417 2.682 1.00 0.00 N ATOM 800 CA ASP A 53 -8.490 -11.029 2.281 1.00 0.00 C ATOM 801 C ASP A 53 -8.446 -10.153 3.543 1.00 0.00 C ATOM 802 O ASP A 53 -9.319 -10.300 4.407 1.00 0.00 O ATOM 803 CB ASP A 53 -9.900 -10.842 1.666 1.00 0.00 C ATOM 804 CG ASP A 53 -10.152 -11.238 0.206 1.00 0.00 C ATOM 805 OD1 ASP A 53 -9.430 -12.073 -0.386 1.00 0.00 O ATOM 806 OD2 ASP A 53 -11.154 -10.729 -0.358 1.00 0.00 O ATOM 0 H ASP A 53 -9.014 -13.047 2.527 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.741 -10.758 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.601 -11.406 2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.162 -9.789 1.767 1.00 0.00 H new ATOM 811 N ARG A 54 -7.493 -9.212 3.678 1.00 0.00 N ATOM 812 CA ARG A 54 -7.570 -8.238 4.783 1.00 0.00 C ATOM 813 C ARG A 54 -8.812 -7.377 4.630 1.00 0.00 C ATOM 814 O ARG A 54 -9.570 -7.206 5.583 1.00 0.00 O ATOM 815 CB ARG A 54 -6.338 -7.317 4.882 1.00 0.00 C ATOM 816 CG ARG A 54 -5.094 -8.058 5.378 1.00 0.00 C ATOM 817 CD ARG A 54 -4.135 -7.213 6.237 1.00 0.00 C ATOM 818 NE ARG A 54 -4.046 -7.726 7.616 1.00 0.00 N ATOM 819 CZ ARG A 54 -4.762 -7.323 8.673 1.00 0.00 C ATOM 820 NH1 ARG A 54 -5.542 -6.250 8.590 1.00 0.00 N ATOM 821 NH2 ARG A 54 -4.707 -7.988 9.822 1.00 0.00 N ATOM 0 H ARG A 54 -6.688 -9.106 3.061 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.609 -8.826 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.133 -6.883 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.559 -6.491 5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.412 -8.923 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.547 -8.437 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.144 -7.213 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.477 -6.178 6.255 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.366 -8.468 7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.598 -5.727 7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.084 -5.950 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.115 -8.814 9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.257 -7.672 10.621 1.00 0.00 H new ATOM 835 N TYR A 55 -9.032 -6.839 3.435 1.00 0.00 N ATOM 836 CA TYR A 55 -10.030 -5.808 3.210 1.00 0.00 C ATOM 837 C TYR A 55 -10.948 -6.322 2.120 1.00 0.00 C ATOM 838 O TYR A 55 -10.880 -5.873 0.973 1.00 0.00 O ATOM 839 CB TYR A 55 -9.340 -4.473 2.885 1.00 0.00 C ATOM 840 CG TYR A 55 -8.262 -4.092 3.884 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.576 -3.957 5.253 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.926 -3.959 3.456 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.557 -3.737 6.196 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.907 -3.706 4.390 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.215 -3.621 5.767 1.00 0.00 C ATOM 846 OH TYR A 55 -5.209 -3.506 6.676 1.00 0.00 O ATOM 0 H TYR A 55 -8.520 -7.109 2.595 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.634 -5.602 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.898 -4.534 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.090 -3.683 2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.604 -4.023 5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.685 -4.052 2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.799 -3.657 7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.888 -3.576 4.056 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.423 -3.111 6.245 1.00 0.00 H new ATOM 856 N ASN A 56 -11.750 -7.338 2.453 1.00 0.00 N ATOM 857 CA ASN A 56 -12.714 -7.883 1.502 1.00 0.00 C ATOM 858 C ASN A 56 -13.786 -6.855 1.145 1.00 0.00 C ATOM 859 O ASN A 56 -13.795 -5.736 1.663 1.00 0.00 O ATOM 860 CB ASN A 56 -13.365 -9.195 1.958 1.00 0.00 C ATOM 861 CG ASN A 56 -14.442 -9.027 3.017 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.464 -8.040 3.736 1.00 0.00 O ATOM 863 ND2 ASN A 56 -15.352 -9.978 3.140 1.00 0.00 N ATOM 0 H ASN A 56 -11.749 -7.794 3.366 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.133 -8.121 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.800 -9.691 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.590 -9.855 2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.086 -9.893 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.320 -10.796 2.532 1.00 0.00 H new ATOM 870 N GLN A 57 -14.718 -7.249 0.274 1.00 0.00 N ATOM 871 CA GLN A 57 -15.659 -6.331 -0.340 1.00 0.00 C ATOM 872 C GLN A 57 -16.453 -5.514 0.699 1.00 0.00 C ATOM 873 O GLN A 57 -16.679 -4.320 0.498 1.00 0.00 O ATOM 874 CB GLN A 57 -16.564 -7.067 -1.340 1.00 0.00 C ATOM 875 CG GLN A 57 -15.774 -7.685 -2.513 1.00 0.00 C ATOM 876 CD GLN A 57 -16.691 -8.228 -3.609 1.00 0.00 C ATOM 877 OE1 GLN A 57 -17.860 -8.507 -3.378 1.00 0.00 O ATOM 878 NE2 GLN A 57 -16.194 -8.403 -4.824 1.00 0.00 N ATOM 0 H GLN A 57 -14.835 -8.218 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.084 -5.596 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.109 -7.854 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.306 -6.372 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.111 -6.932 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.143 -8.491 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.219 -8.170 -5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.786 -8.771 -5.569 1.00 0.00 H new ATOM 887 N PHE A 58 -16.786 -6.109 1.847 1.00 0.00 N ATOM 888 CA PHE A 58 -17.405 -5.461 3.000 1.00 0.00 C ATOM 889 C PHE A 58 -16.643 -4.202 3.439 1.00 0.00 C ATOM 890 O PHE A 58 -17.266 -3.173 3.708 1.00 0.00 O ATOM 891 CB PHE A 58 -17.492 -6.496 4.133 1.00 0.00 C ATOM 892 CG PHE A 58 -18.085 -6.058 5.458 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.404 -5.574 5.532 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.346 -6.240 6.645 1.00 0.00 C ATOM 895 CE1 PHE A 58 -19.982 -5.280 6.780 1.00 0.00 C ATOM 896 CE2 PHE A 58 -17.925 -5.953 7.892 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.246 -5.477 7.961 1.00 0.00 C ATOM 0 H PHE A 58 -16.622 -7.104 2.003 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.404 -5.117 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.077 -7.340 3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.485 -6.866 4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.975 -5.428 4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.330 -6.602 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -20.993 -4.902 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.355 -6.098 8.798 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.694 -5.263 8.920 1.00 0.00 H new ATOM 907 N HIS A 59 -15.311 -4.254 3.505 1.00 0.00 N ATOM 908 CA HIS A 59 -14.446 -3.140 3.876 1.00 0.00 C ATOM 909 C HIS A 59 -14.324 -2.166 2.704 1.00 0.00 C ATOM 910 O HIS A 59 -14.389 -0.953 2.880 1.00 0.00 O ATOM 911 CB HIS A 59 -13.059 -3.679 4.256 1.00 0.00 C ATOM 912 CG HIS A 59 -13.078 -4.682 5.384 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.352 -6.031 5.290 1.00 0.00 N ATOM 914 CD2 HIS A 59 -12.819 -4.407 6.697 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.246 -6.558 6.519 1.00 0.00 C ATOM 916 NE2 HIS A 59 -12.928 -5.606 7.411 1.00 0.00 N ATOM 0 H HIS A 59 -14.790 -5.105 3.293 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.875 -2.614 4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.608 -4.143 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.420 -2.842 4.538 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -13.592 -6.537 4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.574 -3.439 7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.395 -7.601 6.757 1.00 0.00 H new ATOM 924 N ILE A 60 -14.187 -2.682 1.481 1.00 0.00 N ATOM 925 CA ILE A 60 -14.072 -1.877 0.265 1.00 0.00 C ATOM 926 C ILE A 60 -15.258 -0.927 0.136 1.00 0.00 C ATOM 927 O ILE A 60 -15.092 0.214 -0.275 1.00 0.00 O ATOM 928 CB ILE A 60 -13.941 -2.805 -0.959 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.684 -3.690 -0.863 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.975 -2.052 -2.293 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.360 -2.954 -0.967 1.00 0.00 C ATOM 0 H ILE A 60 -14.152 -3.686 1.306 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.174 -1.261 0.320 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.820 -3.449 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.709 -4.226 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.727 -4.440 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.878 -2.762 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.920 -1.517 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.150 -1.340 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.540 -3.668 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.303 -2.441 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.285 -2.224 -0.161 1.00 0.00 H new ATOM 943 N ARG A 61 -16.453 -1.375 0.504 1.00 0.00 N ATOM 944 CA ARG A 61 -17.672 -0.581 0.443 1.00 0.00 C ATOM 945 C ARG A 61 -17.648 0.619 1.389 1.00 0.00 C ATOM 946 O ARG A 61 -18.223 1.656 1.059 1.00 0.00 O ATOM 947 CB ARG A 61 -18.820 -1.520 0.789 1.00 0.00 C ATOM 948 CG ARG A 61 -19.158 -2.448 -0.390 1.00 0.00 C ATOM 949 CD ARG A 61 -19.986 -1.740 -1.459 1.00 0.00 C ATOM 950 NE ARG A 61 -21.351 -1.457 -1.004 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.103 -0.433 -1.413 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.621 0.498 -2.233 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.352 -0.356 -0.974 1.00 0.00 N ATOM 0 H ARG A 61 -16.603 -2.319 0.860 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.783 -0.158 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.553 -2.118 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.700 -0.937 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.235 -2.820 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.707 -3.315 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.496 -0.807 -1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.024 -2.359 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.759 -2.094 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.658 0.438 -2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.215 1.271 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.715 -1.068 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.950 0.416 -1.270 1.00 0.00 H new ATOM 967 N ARG A 62 -17.009 0.503 2.555 1.00 0.00 N ATOM 968 CA ARG A 62 -16.701 1.644 3.405 1.00 0.00 C ATOM 969 C ARG A 62 -15.713 2.554 2.691 1.00 0.00 C ATOM 970 O ARG A 62 -16.006 3.734 2.541 1.00 0.00 O ATOM 971 CB ARG A 62 -16.131 1.161 4.744 1.00 0.00 C ATOM 972 CG ARG A 62 -17.208 0.719 5.726 1.00 0.00 C ATOM 973 CD ARG A 62 -17.765 1.922 6.497 1.00 0.00 C ATOM 974 NE ARG A 62 -17.291 1.917 7.893 1.00 0.00 N ATOM 975 CZ ARG A 62 -18.041 2.022 8.996 1.00 0.00 C ATOM 976 NH1 ARG A 62 -19.305 2.424 8.939 1.00 0.00 N ATOM 977 NH2 ARG A 62 -17.520 1.696 10.173 1.00 0.00 N ATOM 0 H ARG A 62 -16.692 -0.390 2.933 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.612 2.207 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.449 0.330 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.545 1.963 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.014 0.220 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.794 -0.007 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.458 2.846 6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.855 1.898 6.479 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.285 1.824 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.725 2.661 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.856 2.496 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.556 1.369 10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.084 1.773 11.019 1.00 0.00 H new ATOM 991 N PHE A 63 -14.595 2.018 2.192 1.00 0.00 N ATOM 992 CA PHE A 63 -13.596 2.847 1.519 1.00 0.00 C ATOM 993 C PHE A 63 -14.169 3.591 0.300 1.00 0.00 C ATOM 994 O PHE A 63 -13.821 4.745 0.075 1.00 0.00 O ATOM 995 CB PHE A 63 -12.384 1.996 1.133 1.00 0.00 C ATOM 996 CG PHE A 63 -11.519 1.516 2.287 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.772 2.446 3.034 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.350 0.138 2.536 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.854 2.006 4.001 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.410 -0.301 3.486 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.647 0.633 4.203 1.00 0.00 C ATOM 0 H PHE A 63 -14.362 1.026 2.241 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.279 3.617 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.736 1.125 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.760 2.574 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.906 3.504 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.945 -0.583 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.306 2.726 4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.276 -1.358 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.902 0.296 4.909 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.090 2.989 -0.453 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.854 3.648 -1.500 1.00 0.00 C ATOM 1013 C GLU A 64 -16.554 4.873 -0.923 1.00 0.00 C ATOM 1014 O GLU A 64 -16.440 5.943 -1.497 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.949 2.744 -2.070 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.594 1.668 -3.092 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.876 1.006 -3.636 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.972 1.138 -3.026 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -17.782 0.343 -4.693 1.00 0.00 O ATOM 0 H GLU A 64 -15.328 2.003 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.148 3.909 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.429 2.246 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.698 3.391 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.027 2.108 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.955 0.915 -2.631 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.292 4.749 0.186 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.067 5.858 0.739 1.00 0.00 C ATOM 1028 C ALA A 65 -17.208 7.118 0.904 1.00 0.00 C ATOM 1029 O ALA A 65 -17.699 8.212 0.638 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.724 5.444 2.058 1.00 0.00 C ATOM 0 H ALA A 65 -17.367 3.883 0.720 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.858 6.107 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.297 6.281 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.389 4.598 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.954 5.158 2.774 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.922 6.952 1.238 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.923 8.014 1.292 1.00 0.00 C ATOM 1038 C LEU A 66 -14.780 8.690 -0.071 1.00 0.00 C ATOM 1039 O LEU A 66 -15.010 9.891 -0.176 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.556 7.484 1.759 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.605 6.651 3.047 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.224 6.045 3.274 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.004 7.513 4.251 1.00 0.00 C ATOM 0 H LEU A 66 -15.540 6.039 1.486 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.269 8.747 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.125 6.876 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.886 8.329 1.913 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.355 5.867 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.234 5.447 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.961 5.411 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.488 6.843 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.030 6.895 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.276 8.313 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.990 7.944 4.079 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.404 7.953 -1.120 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.181 8.522 -2.445 1.00 0.00 C ATOM 1057 C LEU A 67 -15.457 9.119 -3.026 1.00 0.00 C ATOM 1058 O LEU A 67 -15.385 10.057 -3.817 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.547 7.470 -3.367 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.491 6.525 -4.141 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.038 7.093 -5.457 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.747 5.241 -4.465 1.00 0.00 C ATOM 0 H LEU A 67 -14.247 6.946 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.480 9.352 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.927 7.993 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.879 6.855 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.348 6.367 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.690 6.357 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.604 8.002 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.209 7.324 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.406 4.567 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.874 5.471 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.426 4.763 -3.539 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.621 8.596 -2.637 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.919 9.080 -3.071 1.00 0.00 C ATOM 1076 C GLN A 68 -18.065 10.511 -2.556 1.00 0.00 C ATOM 1077 O GLN A 68 -18.219 11.436 -3.354 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.037 8.147 -2.568 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.872 6.685 -3.028 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.740 6.303 -4.216 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -19.621 6.869 -5.294 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -20.623 5.328 -4.061 1.00 0.00 N ATOM 0 H GLN A 68 -16.681 7.805 -1.996 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.001 9.083 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.061 8.176 -1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.998 8.523 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.827 6.513 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.107 6.025 -2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.715 4.862 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.211 5.043 -4.844 1.00 0.00 H new ATOM 1091 N THR A 69 -17.950 10.716 -1.240 1.00 0.00 N ATOM 1092 CA THR A 69 -18.010 12.044 -0.635 1.00 0.00 C ATOM 1093 C THR A 69 -16.767 12.893 -0.980 1.00 0.00 C ATOM 1094 O THR A 69 -16.801 14.111 -0.812 1.00 0.00 O ATOM 1095 CB THR A 69 -18.295 11.883 0.874 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.679 13.095 1.485 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.120 11.295 1.651 1.00 0.00 C ATOM 0 H THR A 69 -17.813 9.963 -0.566 1.00 0.00 H new ATOM 0 HA THR A 69 -18.833 12.621 -1.057 1.00 0.00 H new ATOM 0 HB THR A 69 -19.126 11.179 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.217 13.842 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.387 11.209 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 69 -16.880 10.308 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.253 11.948 1.549 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.687 12.299 -1.501 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.490 12.988 -1.977 1.00 0.00 C ATOM 1107 C GLY A 70 -13.302 12.912 -1.015 1.00 0.00 C ATOM 1108 O GLY A 70 -12.263 13.524 -1.273 1.00 0.00 O ATOM 0 H GLY A 70 -15.624 11.286 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.195 12.562 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.733 14.035 -2.155 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.418 12.192 0.102 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.298 11.904 0.980 1.00 0.00 C ATOM 1114 C LYS A 71 -11.442 10.824 0.335 1.00 0.00 C ATOM 1115 O LYS A 71 -11.968 9.896 -0.270 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.834 11.418 2.324 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.436 12.601 3.096 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.993 12.171 4.450 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.873 11.634 5.347 1.00 0.00 C ATOM 1120 NZ LYS A 71 -12.607 12.482 6.528 1.00 0.00 N ATOM 0 H LYS A 71 -14.301 11.792 0.419 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.695 12.798 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.591 10.649 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.031 10.963 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.673 13.365 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.231 13.055 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.480 13.017 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.754 11.403 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.136 10.630 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.959 11.545 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.840 12.062 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.327 13.434 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.467 12.547 7.109 1.00 0.00 H new ATOM 1134 N SER A 72 -10.129 10.877 0.532 1.00 0.00 N ATOM 1135 CA SER A 72 -9.241 9.830 0.065 1.00 0.00 C ATOM 1136 C SER A 72 -9.531 8.512 0.773 1.00 0.00 C ATOM 1137 O SER A 72 -9.350 8.466 1.997 1.00 0.00 O ATOM 1138 CB SER A 72 -7.793 10.215 0.352 1.00 0.00 C ATOM 1139 OG SER A 72 -7.427 11.289 -0.460 1.00 0.00 O ATOM 0 H SER A 72 -9.658 11.642 1.016 1.00 0.00 H new ATOM 0 HA SER A 72 -9.402 9.710 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.678 10.484 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.136 9.365 0.167 1.00 0.00 H new ATOM 0 HG SER A 72 -6.735 11.001 -1.092 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.837 7.436 0.027 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.719 6.089 0.548 1.00 0.00 C ATOM 1147 C PRO A 73 -8.252 5.758 0.788 1.00 0.00 C ATOM 1148 O PRO A 73 -7.971 5.127 1.794 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.329 5.180 -0.522 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.089 5.950 -1.822 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.171 7.410 -1.396 1.00 0.00 C ATOM 0 HA PRO A 73 -10.231 5.964 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.848 4.202 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.391 5.010 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.117 5.713 -2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.840 5.709 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.477 8.023 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.170 7.811 -1.569 1.00 0.00 H new ATOM 1159 N THR A 74 -7.309 6.214 -0.050 1.00 0.00 N ATOM 1160 CA THR A 74 -5.905 5.871 0.091 1.00 0.00 C ATOM 1161 C THR A 74 -5.377 6.287 1.460 1.00 0.00 C ATOM 1162 O THR A 74 -4.682 5.510 2.100 1.00 0.00 O ATOM 1163 CB THR A 74 -5.088 6.555 -1.009 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.657 6.251 -2.267 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.609 6.154 -0.906 1.00 0.00 C ATOM 0 H THR A 74 -7.508 6.829 -0.839 1.00 0.00 H new ATOM 0 HA THR A 74 -5.806 4.789 -0.002 1.00 0.00 H new ATOM 0 HB THR A 74 -5.120 7.638 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.139 6.688 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.042 6.649 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.217 6.455 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.516 5.073 -1.016 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.656 7.517 1.892 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.129 8.040 3.136 1.00 0.00 C ATOM 1175 C CYS A 75 -5.591 7.174 4.303 1.00 0.00 C ATOM 1176 O CYS A 75 -4.758 6.750 5.094 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.595 9.495 3.267 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.517 10.403 4.404 1.00 0.00 S ATOM 0 H CYS A 75 -6.253 8.171 1.385 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.039 8.018 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.589 9.975 2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.623 9.523 3.629 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.926 11.633 4.500 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.895 6.898 4.364 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.518 6.051 5.369 1.00 0.00 C ATOM 1186 C GLU A 76 -6.932 4.641 5.339 1.00 0.00 C ATOM 1187 O GLU A 76 -6.494 4.133 6.373 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.032 6.017 5.101 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.733 7.294 5.603 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.570 7.594 7.095 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -9.777 6.665 7.911 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.350 8.774 7.463 1.00 0.00 O ATOM 0 H GLU A 76 -7.564 7.273 3.691 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.325 6.458 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.209 5.902 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.468 5.147 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.352 8.143 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.797 7.214 5.381 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.915 4.031 4.149 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.420 2.688 3.893 1.00 0.00 C ATOM 1201 C LEU A 77 -5.030 2.554 4.479 1.00 0.00 C ATOM 1202 O LEU A 77 -4.791 1.668 5.288 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.414 2.410 2.375 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.685 1.127 1.910 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.308 -0.173 2.422 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.583 1.126 0.377 1.00 0.00 C ATOM 0 H LEU A 77 -7.263 4.486 3.305 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.072 1.953 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.448 2.357 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.956 3.263 1.874 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.690 1.153 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.735 -1.022 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.296 -0.178 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.337 -0.247 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.070 0.223 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.584 1.153 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.023 2.002 0.049 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.131 3.444 4.065 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.740 3.464 4.462 1.00 0.00 C ATOM 1220 C LEU A 78 -2.585 3.706 5.967 1.00 0.00 C ATOM 1221 O LEU A 78 -1.682 3.135 6.575 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.019 4.567 3.666 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.716 4.201 2.198 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.968 5.364 1.541 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.872 2.930 2.062 1.00 0.00 C ATOM 0 H LEU A 78 -4.369 4.197 3.419 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.297 2.492 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.630 5.469 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.082 4.807 4.168 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.671 4.012 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.749 5.115 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.586 6.261 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.035 5.545 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.692 2.724 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.081 3.070 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.404 2.091 2.510 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.417 4.556 6.576 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.345 4.843 8.010 1.00 0.00 C ATOM 1239 C PHE A 79 -3.663 3.585 8.828 1.00 0.00 C ATOM 1240 O PHE A 79 -2.922 3.219 9.744 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.302 5.996 8.380 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.689 7.053 9.274 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -3.162 6.696 10.527 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -3.628 8.394 8.847 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.548 7.667 11.331 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -3.025 9.369 9.661 1.00 0.00 C ATOM 1247 CZ PHE A 79 -2.470 9.003 10.898 1.00 0.00 C ATOM 0 H PHE A 79 -4.157 5.063 6.090 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.328 5.155 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.651 6.471 7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.178 5.580 8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.230 5.674 10.870 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.046 8.674 7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.133 7.388 12.288 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.989 10.398 9.335 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.985 9.745 11.515 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.778 2.942 8.490 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.325 1.748 9.130 1.00 0.00 C ATOM 1259 C ASP A 80 -4.445 0.531 8.833 1.00 0.00 C ATOM 1260 O ASP A 80 -4.098 -0.238 9.724 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.752 1.594 8.597 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.484 0.298 8.945 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.133 -0.438 9.891 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.472 0.022 8.225 1.00 0.00 O ATOM 0 H ASP A 80 -5.359 3.260 7.715 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.344 1.835 10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.345 2.429 8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.720 1.685 7.511 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.953 0.384 7.605 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.973 -0.648 7.290 1.00 0.00 C ATOM 1271 C TRP A 81 -1.633 -0.372 7.998 1.00 0.00 C ATOM 1272 O TRP A 81 -0.872 -1.285 8.324 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.827 -0.762 5.776 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.949 -1.882 5.334 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.971 -3.145 5.814 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.896 -1.851 4.339 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.977 -3.883 5.211 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.276 -3.133 4.298 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.421 -0.864 3.455 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.805 -3.416 3.459 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.631 -1.154 2.574 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.254 -2.414 2.592 1.00 0.00 C ATOM 0 H TRP A 81 -4.218 0.968 6.812 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.320 -1.611 7.665 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.815 -0.893 5.335 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.426 0.175 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.661 -3.518 6.556 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.785 -4.864 5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.868 0.119 3.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.282 -4.385 3.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.966 -0.402 1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.086 -2.610 1.931 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.371 0.886 8.348 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.343 1.258 9.295 1.00 0.00 C ATOM 1295 C GLY A 82 -0.564 0.577 10.636 1.00 0.00 C ATOM 1296 O GLY A 82 0.347 -0.080 11.153 1.00 0.00 O ATOM 0 H GLY A 82 -1.881 1.684 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.636 0.984 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.341 2.340 9.429 1.00 0.00 H new ATOM 1300 N THR A 83 -1.765 0.732 11.183 1.00 0.00 N ATOM 1301 CA THR A 83 -2.189 0.168 12.455 1.00 0.00 C ATOM 1302 C THR A 83 -2.260 -1.375 12.409 1.00 0.00 C ATOM 1303 O THR A 83 -2.082 -2.016 13.443 1.00 0.00 O ATOM 1304 CB THR A 83 -3.494 0.893 12.877 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.330 1.499 14.142 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.759 0.042 12.910 1.00 0.00 C ATOM 0 H THR A 83 -2.499 1.278 10.731 1.00 0.00 H new ATOM 0 HA THR A 83 -1.452 0.346 13.238 1.00 0.00 H new ATOM 0 HB THR A 83 -3.651 1.625 12.085 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.159 1.955 14.396 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.604 0.658 13.219 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.950 -0.365 11.917 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.629 -0.776 13.618 1.00 0.00 H new ATOM 1314 N THR A 84 -2.423 -2.000 11.237 1.00 0.00 N ATOM 1315 CA THR A 84 -2.335 -3.437 11.027 1.00 0.00 C ATOM 1316 C THR A 84 -0.905 -3.975 11.260 1.00 0.00 C ATOM 1317 O THR A 84 -0.735 -5.180 11.447 1.00 0.00 O ATOM 1318 CB THR A 84 -2.834 -3.667 9.589 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.237 -3.516 9.476 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.450 -5.003 8.982 1.00 0.00 C ATOM 0 H THR A 84 -2.628 -1.491 10.377 1.00 0.00 H new ATOM 0 HA THR A 84 -2.942 -3.988 11.745 1.00 0.00 H new ATOM 0 HB THR A 84 -2.319 -2.890 9.024 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.491 -3.519 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.847 -5.070 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.364 -5.091 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.863 -5.810 9.588 1.00 0.00 H new ATOM 1328 N ASN A 85 0.114 -3.107 11.298 1.00 0.00 N ATOM 1329 CA ASN A 85 1.545 -3.408 11.379 1.00 0.00 C ATOM 1330 C ASN A 85 2.071 -3.987 10.060 1.00 0.00 C ATOM 1331 O ASN A 85 2.443 -5.161 10.000 1.00 0.00 O ATOM 1332 CB ASN A 85 1.963 -4.311 12.566 1.00 0.00 C ATOM 1333 CG ASN A 85 1.594 -3.793 13.938 1.00 0.00 C ATOM 1334 OD1 ASN A 85 0.771 -4.394 14.626 1.00 0.00 O ATOM 1335 ND2 ASN A 85 2.215 -2.711 14.380 1.00 0.00 N ATOM 0 H ASN A 85 -0.055 -2.102 11.271 1.00 0.00 H new ATOM 0 HA ASN A 85 2.011 -2.441 11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.507 -5.292 12.432 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.043 -4.454 12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.016 -2.355 15.315 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.893 -2.234 13.786 1.00 0.00 H new ATOM 1342 N CYS A 86 2.172 -3.160 9.017 1.00 0.00 N ATOM 1343 CA CYS A 86 3.029 -3.420 7.857 1.00 0.00 C ATOM 1344 C CYS A 86 3.971 -2.220 7.646 1.00 0.00 C ATOM 1345 O CYS A 86 3.970 -1.289 8.462 1.00 0.00 O ATOM 1346 CB CYS A 86 2.169 -3.769 6.635 1.00 0.00 C ATOM 1347 SG CYS A 86 1.234 -5.300 6.954 1.00 0.00 S ATOM 0 H CYS A 86 1.656 -2.282 8.953 1.00 0.00 H new ATOM 0 HA CYS A 86 3.665 -4.289 8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.482 -2.951 6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.803 -3.895 5.757 1.00 0.00 H new ATOM 0 HG CYS A 86 1.509 -5.736 8.147 1.00 0.00 H new ATOM 1353 N THR A 87 4.814 -2.239 6.611 1.00 0.00 N ATOM 1354 CA THR A 87 5.912 -1.287 6.426 1.00 0.00 C ATOM 1355 C THR A 87 5.883 -0.664 5.027 1.00 0.00 C ATOM 1356 O THR A 87 5.191 -1.150 4.136 1.00 0.00 O ATOM 1357 CB THR A 87 7.258 -2.006 6.663 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.387 -3.184 5.884 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.457 -2.399 8.121 1.00 0.00 C ATOM 0 H THR A 87 4.751 -2.930 5.863 1.00 0.00 H new ATOM 0 HA THR A 87 5.794 -0.479 7.148 1.00 0.00 H new ATOM 0 HB THR A 87 8.015 -1.280 6.367 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.254 -3.603 6.066 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.418 -2.901 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.439 -1.505 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.657 -3.072 8.429 1.00 0.00 H new ATOM 1367 N VAL A 88 6.649 0.401 4.799 1.00 0.00 N ATOM 1368 CA VAL A 88 6.699 1.089 3.515 1.00 0.00 C ATOM 1369 C VAL A 88 7.277 0.176 2.431 1.00 0.00 C ATOM 1370 O VAL A 88 6.829 0.222 1.290 1.00 0.00 O ATOM 1371 CB VAL A 88 7.541 2.367 3.631 1.00 0.00 C ATOM 1372 CG1 VAL A 88 7.452 3.146 2.320 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.063 3.299 4.747 1.00 0.00 C ATOM 0 H VAL A 88 7.257 0.812 5.507 1.00 0.00 H new ATOM 0 HA VAL A 88 5.681 1.358 3.232 1.00 0.00 H new ATOM 0 HB VAL A 88 8.559 2.050 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.048 4.055 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.831 2.530 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.413 3.409 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.698 4.184 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.033 3.598 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.118 2.779 5.703 1.00 0.00 H new ATOM 1383 N GLY A 89 8.252 -0.656 2.782 1.00 0.00 N ATOM 1384 CA GLY A 89 8.802 -1.652 1.887 1.00 0.00 C ATOM 1385 C GLY A 89 7.719 -2.649 1.510 1.00 0.00 C ATOM 1386 O GLY A 89 7.690 -3.093 0.374 1.00 0.00 O ATOM 0 H GLY A 89 8.683 -0.653 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.197 -1.173 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.634 -2.167 2.367 1.00 0.00 H new ATOM 1390 N ASP A 90 6.814 -2.982 2.443 1.00 0.00 N ATOM 1391 CA ASP A 90 5.627 -3.796 2.147 1.00 0.00 C ATOM 1392 C ASP A 90 4.768 -3.091 1.101 1.00 0.00 C ATOM 1393 O ASP A 90 4.372 -3.702 0.114 1.00 0.00 O ATOM 1394 CB ASP A 90 4.796 -4.057 3.418 1.00 0.00 C ATOM 1395 CG ASP A 90 4.467 -5.528 3.626 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.598 -6.104 2.941 1.00 0.00 O ATOM 1397 OD2 ASP A 90 5.067 -6.114 4.555 1.00 0.00 O ATOM 0 H ASP A 90 6.884 -2.696 3.419 1.00 0.00 H new ATOM 0 HA ASP A 90 5.962 -4.758 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.344 -3.688 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.868 -3.488 3.361 1.00 0.00 H new ATOM 1402 N LEU A 91 4.494 -1.798 1.324 1.00 0.00 N ATOM 1403 CA LEU A 91 3.709 -0.958 0.429 1.00 0.00 C ATOM 1404 C LEU A 91 4.313 -0.989 -0.969 1.00 0.00 C ATOM 1405 O LEU A 91 3.617 -1.388 -1.891 1.00 0.00 O ATOM 1406 CB LEU A 91 3.530 0.457 1.020 1.00 0.00 C ATOM 1407 CG LEU A 91 2.883 1.489 0.082 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.523 1.070 -0.486 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.703 2.807 0.848 1.00 0.00 C ATOM 0 H LEU A 91 4.823 -1.302 2.153 1.00 0.00 H new ATOM 0 HA LEU A 91 2.698 -1.353 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.923 0.381 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.508 0.831 1.324 1.00 0.00 H new ATOM 0 HG LEU A 91 3.556 1.588 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.142 1.858 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.636 0.150 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.822 0.904 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.245 3.548 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.061 2.640 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.675 3.169 1.182 1.00 0.00 H new ATOM 1421 N VAL A 92 5.582 -0.621 -1.127 1.00 0.00 N ATOM 1422 CA VAL A 92 6.310 -0.695 -2.391 1.00 0.00 C ATOM 1423 C VAL A 92 6.115 -2.063 -3.042 1.00 0.00 C ATOM 1424 O VAL A 92 5.761 -2.115 -4.217 1.00 0.00 O ATOM 1425 CB VAL A 92 7.794 -0.386 -2.122 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.770 -0.962 -3.156 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.004 1.114 -1.940 1.00 0.00 C ATOM 0 H VAL A 92 6.146 -0.254 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 92 5.923 0.043 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 92 8.036 -0.904 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.790 -0.693 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.675 -2.048 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.539 -0.555 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.059 1.313 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.692 1.637 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.411 1.465 -1.095 1.00 0.00 H new ATOM 1437 N ASP A 93 6.347 -3.143 -2.296 1.00 0.00 N ATOM 1438 CA ASP A 93 6.352 -4.501 -2.825 1.00 0.00 C ATOM 1439 C ASP A 93 5.028 -4.786 -3.543 1.00 0.00 C ATOM 1440 O ASP A 93 5.009 -5.166 -4.714 1.00 0.00 O ATOM 1441 CB ASP A 93 6.590 -5.505 -1.683 1.00 0.00 C ATOM 1442 CG ASP A 93 7.767 -6.448 -1.915 1.00 0.00 C ATOM 1443 OD1 ASP A 93 7.893 -6.992 -3.039 1.00 0.00 O ATOM 1444 OD2 ASP A 93 8.540 -6.697 -0.959 1.00 0.00 O ATOM 0 H ASP A 93 6.539 -3.096 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 93 7.161 -4.607 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.758 -4.953 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.686 -6.098 -1.541 1.00 0.00 H new ATOM 1449 N LEU A 94 3.917 -4.540 -2.839 1.00 0.00 N ATOM 1450 CA LEU A 94 2.551 -4.686 -3.312 1.00 0.00 C ATOM 1451 C LEU A 94 2.252 -3.715 -4.443 1.00 0.00 C ATOM 1452 O LEU A 94 1.558 -4.091 -5.382 1.00 0.00 O ATOM 1453 CB LEU A 94 1.575 -4.421 -2.157 1.00 0.00 C ATOM 1454 CG LEU A 94 1.615 -5.527 -1.089 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.257 -4.949 0.273 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.637 -6.641 -1.440 1.00 0.00 C ATOM 0 H LEU A 94 3.958 -4.217 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 94 2.431 -5.703 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.816 -3.464 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.563 -4.338 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 94 2.624 -5.938 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.288 -5.739 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.972 -4.170 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.254 -4.523 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.678 -7.416 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.373 -6.235 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.906 -7.070 -2.405 1.00 0.00 H new ATOM 1468 N LEU A 95 2.727 -2.469 -4.353 1.00 0.00 N ATOM 1469 CA LEU A 95 2.510 -1.439 -5.367 1.00 0.00 C ATOM 1470 C LEU A 95 3.061 -1.880 -6.719 1.00 0.00 C ATOM 1471 O LEU A 95 2.359 -1.781 -7.722 1.00 0.00 O ATOM 1472 CB LEU A 95 3.128 -0.091 -4.968 1.00 0.00 C ATOM 1473 CG LEU A 95 2.369 0.707 -3.904 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.184 1.963 -3.577 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.950 1.069 -4.331 1.00 0.00 C ATOM 0 H LEU A 95 3.281 -2.145 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 95 1.432 -1.302 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.140 -0.271 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.215 0.525 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 95 2.256 0.083 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.662 2.548 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.164 1.672 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.306 2.563 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.464 1.634 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.986 1.675 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.385 0.158 -4.527 1.00 0.00 H new ATOM 1487 N VAL A 96 4.287 -2.395 -6.768 1.00 0.00 N ATOM 1488 CA VAL A 96 4.853 -2.951 -7.994 1.00 0.00 C ATOM 1489 C VAL A 96 3.990 -4.127 -8.479 1.00 0.00 C ATOM 1490 O VAL A 96 3.776 -4.299 -9.686 1.00 0.00 O ATOM 1491 CB VAL A 96 6.319 -3.354 -7.729 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.992 -3.973 -8.956 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.160 -2.135 -7.321 1.00 0.00 C ATOM 0 H VAL A 96 4.913 -2.439 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 96 4.852 -2.210 -8.793 1.00 0.00 H new ATOM 0 HB VAL A 96 6.277 -4.091 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.021 -4.237 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.449 -4.869 -9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.986 -3.254 -9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.189 -2.447 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.140 -1.395 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.748 -1.697 -6.412 1.00 0.00 H new ATOM 1503 N GLN A 97 3.440 -4.910 -7.551 1.00 0.00 N ATOM 1504 CA GLN A 97 2.682 -6.104 -7.860 1.00 0.00 C ATOM 1505 C GLN A 97 1.380 -5.746 -8.587 1.00 0.00 C ATOM 1506 O GLN A 97 0.981 -6.461 -9.505 1.00 0.00 O ATOM 1507 CB GLN A 97 2.554 -6.921 -6.559 1.00 0.00 C ATOM 1508 CG GLN A 97 1.153 -7.318 -6.100 1.00 0.00 C ATOM 1509 CD GLN A 97 1.231 -8.222 -4.862 1.00 0.00 C ATOM 1510 OE1 GLN A 97 2.203 -8.196 -4.109 1.00 0.00 O ATOM 1511 NE2 GLN A 97 0.237 -9.050 -4.596 1.00 0.00 N ATOM 0 H GLN A 97 3.514 -4.723 -6.551 1.00 0.00 H new ATOM 0 HA GLN A 97 3.184 -6.753 -8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.138 -7.834 -6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.019 -6.348 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.572 -6.425 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.633 -7.837 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.577 -9.084 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.283 -9.655 -3.776 1.00 0.00 H new ATOM 1520 N ILE A 98 0.751 -4.618 -8.250 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.492 -4.134 -8.858 1.00 0.00 C ATOM 1522 C ILE A 98 -0.272 -3.233 -10.089 1.00 0.00 C ATOM 1523 O ILE A 98 -1.267 -2.699 -10.595 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.369 -3.429 -7.809 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.623 -2.245 -7.188 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.874 -4.405 -6.733 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.494 -1.359 -6.316 1.00 0.00 C ATOM 0 H ILE A 98 1.104 -3.996 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.013 -5.017 -9.227 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.250 -3.043 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.206 -2.624 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.191 -1.641 -7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.489 -3.866 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.468 -5.189 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.023 -4.853 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.894 -0.543 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.309 -0.950 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.905 -1.947 -5.496 1.00 0.00 H new ATOM 1539 N GLU A 99 0.982 -3.044 -10.537 1.00 0.00 N ATOM 1540 CA GLU A 99 1.406 -2.261 -11.714 1.00 0.00 C ATOM 1541 C GLU A 99 1.617 -0.768 -11.361 1.00 0.00 C ATOM 1542 O GLU A 99 1.782 0.076 -12.240 1.00 0.00 O ATOM 1543 CB GLU A 99 0.445 -2.479 -12.915 1.00 0.00 C ATOM 1544 CG GLU A 99 1.098 -2.335 -14.299 1.00 0.00 C ATOM 1545 CD GLU A 99 0.083 -2.400 -15.451 1.00 0.00 C ATOM 1546 OE1 GLU A 99 -0.951 -3.104 -15.364 1.00 0.00 O ATOM 1547 OE2 GLU A 99 0.291 -1.722 -16.484 1.00 0.00 O ATOM 0 H GLU A 99 1.779 -3.461 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 99 2.380 -2.632 -12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.009 -3.475 -12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.375 -1.765 -12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.632 -1.386 -14.346 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.838 -3.124 -14.429 1.00 0.00 H new ATOM 1554 N LEU A 100 1.612 -0.401 -10.072 1.00 0.00 N ATOM 1555 CA LEU A 100 1.686 0.990 -9.620 1.00 0.00 C ATOM 1556 C LEU A 100 3.130 1.343 -9.268 1.00 0.00 C ATOM 1557 O LEU A 100 3.506 1.561 -8.114 1.00 0.00 O ATOM 1558 CB LEU A 100 0.710 1.268 -8.464 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.694 1.761 -8.870 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.638 3.151 -9.520 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.443 0.792 -9.791 1.00 0.00 C ATOM 0 H LEU A 100 1.556 -1.073 -9.306 1.00 0.00 H new ATOM 0 HA LEU A 100 1.371 1.641 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.598 0.354 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.159 2.012 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.255 1.818 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.645 3.466 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.213 3.865 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.016 3.110 -10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.422 1.205 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.872 0.647 -10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.569 -0.166 -9.286 1.00 0.00 H new ATOM 1573 N PHE A 101 3.951 1.440 -10.302 1.00 0.00 N ATOM 1574 CA PHE A 101 5.368 1.700 -10.173 1.00 0.00 C ATOM 1575 C PHE A 101 5.618 3.132 -9.700 1.00 0.00 C ATOM 1576 O PHE A 101 6.418 3.335 -8.799 1.00 0.00 O ATOM 1577 CB PHE A 101 6.084 1.397 -11.499 1.00 0.00 C ATOM 1578 CG PHE A 101 5.692 0.073 -12.137 1.00 0.00 C ATOM 1579 CD1 PHE A 101 6.020 -1.145 -11.511 1.00 0.00 C ATOM 1580 CD2 PHE A 101 4.967 0.059 -13.345 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.610 -2.364 -12.083 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.570 -1.159 -13.921 1.00 0.00 C ATOM 1583 CZ PHE A 101 4.887 -2.372 -13.288 1.00 0.00 C ATOM 0 H PHE A 101 3.642 1.338 -11.269 1.00 0.00 H new ATOM 0 HA PHE A 101 5.782 1.038 -9.413 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.874 2.202 -12.203 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.160 1.398 -11.325 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.586 -1.144 -10.591 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.715 0.990 -13.831 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.852 -3.296 -11.594 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.021 -1.163 -14.851 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.576 -3.309 -13.726 1.00 0.00 H new ATOM 1593 N ALA A 102 4.899 4.126 -10.229 1.00 0.00 N ATOM 1594 CA ALA A 102 5.069 5.531 -9.861 1.00 0.00 C ATOM 1595 C ALA A 102 5.103 5.778 -8.338 1.00 0.00 C ATOM 1596 O ALA A 102 6.063 6.388 -7.855 1.00 0.00 O ATOM 1597 CB ALA A 102 4.016 6.390 -10.575 1.00 0.00 C ATOM 0 H ALA A 102 4.176 3.974 -10.932 1.00 0.00 H new ATOM 0 HA ALA A 102 6.058 5.837 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.149 7.435 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.131 6.285 -11.654 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.019 6.061 -10.283 1.00 0.00 H new ATOM 1603 N PRO A 103 4.104 5.343 -7.546 1.00 0.00 N ATOM 1604 CA PRO A 103 4.147 5.484 -6.094 1.00 0.00 C ATOM 1605 C PRO A 103 5.193 4.578 -5.429 1.00 0.00 C ATOM 1606 O PRO A 103 5.779 5.008 -4.437 1.00 0.00 O ATOM 1607 CB PRO A 103 2.727 5.195 -5.602 1.00 0.00 C ATOM 1608 CG PRO A 103 2.131 4.333 -6.705 1.00 0.00 C ATOM 1609 CD PRO A 103 2.824 4.801 -7.969 1.00 0.00 C ATOM 0 HA PRO A 103 4.464 6.490 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.733 4.673 -4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.158 6.114 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.312 3.274 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.051 4.465 -6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.961 3.975 -8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.230 5.557 -8.482 1.00 0.00 H new ATOM 1617 N ALA A 104 5.468 3.378 -5.960 1.00 0.00 N ATOM 1618 CA ALA A 104 6.561 2.520 -5.496 1.00 0.00 C ATOM 1619 C ALA A 104 7.872 3.321 -5.571 1.00 0.00 C ATOM 1620 O ALA A 104 8.604 3.401 -4.589 1.00 0.00 O ATOM 1621 CB ALA A 104 6.605 1.247 -6.356 1.00 0.00 C ATOM 0 H ALA A 104 4.933 2.975 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 104 6.410 2.209 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.417 0.605 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.659 0.714 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.771 1.518 -7.399 1.00 0.00 H new ATOM 1627 N THR A 105 8.137 3.998 -6.692 1.00 0.00 N ATOM 1628 CA THR A 105 9.365 4.738 -6.907 1.00 0.00 C ATOM 1629 C THR A 105 9.429 5.950 -5.968 1.00 0.00 C ATOM 1630 O THR A 105 10.501 6.278 -5.460 1.00 0.00 O ATOM 1631 CB THR A 105 9.422 5.189 -8.383 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.291 4.117 -9.297 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.694 5.933 -8.768 1.00 0.00 C ATOM 0 H THR A 105 7.491 4.043 -7.480 1.00 0.00 H new ATOM 0 HA THR A 105 10.222 4.101 -6.689 1.00 0.00 H new ATOM 0 HB THR A 105 8.571 5.866 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.379 3.762 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.648 6.212 -9.821 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.788 6.832 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.557 5.289 -8.600 1.00 0.00 H new ATOM 1641 N LEU A 106 8.300 6.627 -5.708 1.00 0.00 N ATOM 1642 CA LEU A 106 8.264 7.812 -4.851 1.00 0.00 C ATOM 1643 C LEU A 106 8.725 7.452 -3.443 1.00 0.00 C ATOM 1644 O LEU A 106 9.415 8.232 -2.779 1.00 0.00 O ATOM 1645 CB LEU A 106 6.828 8.349 -4.805 1.00 0.00 C ATOM 1646 CG LEU A 106 6.618 9.495 -3.798 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.487 10.728 -4.076 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.152 9.925 -3.807 1.00 0.00 C ATOM 0 H LEU A 106 7.390 6.365 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 106 8.931 8.574 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.550 8.698 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.153 7.531 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 106 6.915 9.101 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.284 11.493 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.540 10.448 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.256 11.120 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.006 10.736 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.879 10.267 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.523 9.079 -3.528 1.00 0.00 H new ATOM 1660 N LEU A 107 8.318 6.266 -2.994 1.00 0.00 N ATOM 1661 CA LEU A 107 8.673 5.746 -1.694 1.00 0.00 C ATOM 1662 C LEU A 107 10.121 5.280 -1.705 1.00 0.00 C ATOM 1663 O LEU A 107 10.890 5.707 -0.845 1.00 0.00 O ATOM 1664 CB LEU A 107 7.731 4.599 -1.328 1.00 0.00 C ATOM 1665 CG LEU A 107 6.285 5.071 -1.109 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.373 3.850 -1.115 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.125 5.891 0.180 1.00 0.00 C ATOM 0 H LEU A 107 7.725 5.638 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 107 8.572 6.529 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.749 3.851 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.092 4.112 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 107 6.006 5.744 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.341 4.166 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.456 3.338 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.668 3.171 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.085 6.200 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.413 5.282 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.763 6.774 0.131 1.00 0.00 H new ATOM 1679 N LEU A 108 10.489 4.420 -2.659 1.00 0.00 N ATOM 1680 CA LEU A 108 11.768 3.727 -2.668 1.00 0.00 C ATOM 1681 C LEU A 108 12.161 3.482 -4.138 1.00 0.00 C ATOM 1682 O LEU A 108 11.804 2.458 -4.720 1.00 0.00 O ATOM 1683 CB LEU A 108 11.620 2.436 -1.841 1.00 0.00 C ATOM 1684 CG LEU A 108 12.844 2.049 -1.005 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.505 0.739 -0.285 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.136 1.890 -1.817 1.00 0.00 C ATOM 0 H LEU A 108 9.895 4.187 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 108 12.570 4.307 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.766 2.548 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.389 1.614 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 108 13.049 2.862 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.354 0.428 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.636 0.890 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.284 -0.034 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.953 1.616 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.001 1.110 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.373 2.832 -2.312 1.00 0.00 H new ATOM 1698 N PRO A 109 12.872 4.419 -4.785 1.00 0.00 N ATOM 1699 CA PRO A 109 13.086 4.419 -6.230 1.00 0.00 C ATOM 1700 C PRO A 109 14.012 3.282 -6.659 1.00 0.00 C ATOM 1701 O PRO A 109 13.899 2.780 -7.773 1.00 0.00 O ATOM 1702 CB PRO A 109 13.679 5.794 -6.549 1.00 0.00 C ATOM 1703 CG PRO A 109 14.398 6.188 -5.264 1.00 0.00 C ATOM 1704 CD PRO A 109 13.552 5.536 -4.168 1.00 0.00 C ATOM 0 HA PRO A 109 12.159 4.250 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.367 5.747 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.903 6.514 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.425 5.822 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.444 7.271 -5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.179 5.200 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.836 6.247 -3.756 1.00 0.00 H new ATOM 1712 N ASP A 110 14.909 2.866 -5.763 1.00 0.00 N ATOM 1713 CA ASP A 110 15.876 1.807 -6.002 1.00 0.00 C ATOM 1714 C ASP A 110 15.194 0.442 -6.086 1.00 0.00 C ATOM 1715 O ASP A 110 15.646 -0.412 -6.850 1.00 0.00 O ATOM 1716 CB ASP A 110 16.908 1.778 -4.865 1.00 0.00 C ATOM 1717 CG ASP A 110 18.035 2.785 -5.056 1.00 0.00 C ATOM 1718 OD1 ASP A 110 17.788 4.011 -5.129 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.217 2.370 -5.050 1.00 0.00 O ATOM 0 H ASP A 110 14.980 3.270 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 110 16.368 2.013 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.404 1.980 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.332 0.776 -4.792 1.00 0.00 H new ATOM 1724 N ALA A 111 14.147 0.233 -5.278 1.00 0.00 N ATOM 1725 CA ALA A 111 13.510 -1.060 -5.049 1.00 0.00 C ATOM 1726 C ALA A 111 12.832 -1.562 -6.315 1.00 0.00 C ATOM 1727 O ALA A 111 13.125 -2.656 -6.799 1.00 0.00 O ATOM 1728 CB ALA A 111 12.458 -0.916 -3.943 1.00 0.00 C ATOM 0 H ALA A 111 13.709 0.988 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 111 14.277 -1.776 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.979 -1.880 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.939 -0.578 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.707 -0.188 -4.248 1.00 0.00 H new ATOM 1734 N VAL A 112 11.892 -0.759 -6.799 1.00 0.00 N ATOM 1735 CA VAL A 112 11.052 -1.056 -7.937 1.00 0.00 C ATOM 1736 C VAL A 112 11.949 -1.319 -9.152 1.00 0.00 C ATOM 1737 O VAL A 112 12.844 -0.516 -9.439 1.00 0.00 O ATOM 1738 CB VAL A 112 10.028 0.078 -8.114 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.607 1.495 -8.042 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.215 -0.046 -9.411 1.00 0.00 C ATOM 0 H VAL A 112 11.692 0.153 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 112 10.464 -1.963 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 112 9.377 -0.057 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.807 2.222 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.075 1.648 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.352 1.624 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.510 0.782 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.889 -0.020 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.668 -0.989 -9.409 1.00 0.00 H new ATOM 1750 N PRO A 113 11.748 -2.436 -9.869 1.00 0.00 N ATOM 1751 CA PRO A 113 12.536 -2.743 -11.043 1.00 0.00 C ATOM 1752 C PRO A 113 12.284 -1.686 -12.119 1.00 0.00 C ATOM 1753 O PRO A 113 11.144 -1.427 -12.519 1.00 0.00 O ATOM 1754 CB PRO A 113 12.121 -4.155 -11.471 1.00 0.00 C ATOM 1755 CG PRO A 113 10.724 -4.322 -10.882 1.00 0.00 C ATOM 1756 CD PRO A 113 10.785 -3.494 -9.604 1.00 0.00 C ATOM 0 HA PRO A 113 13.610 -2.723 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.112 -4.257 -12.556 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.809 -4.907 -11.086 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.954 -3.957 -11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.497 -5.368 -10.674 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.807 -3.081 -9.357 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.096 -4.104 -8.756 1.00 0.00 H new