USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= 1.72 K(o=2.6,f=-5.8) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -137:sc= 0.868 (180deg=-0.202) USER MOD Set 2.1: A 35 GLN : amide:sc= -0.747! C(o=0.06!,f=-14!) USER MOD Set 2.2: A 40 HIS : +bothHN:sc= 0.807 K(o=0.06,f=-11!) USER MOD Set 3.1: A 23 THR OG1 : rot 126:sc= 1.16 USER MOD Set 3.2: A 25 SER OG : rot -109:sc= 2.31 USER MOD Set 4.1: A 21 SER OG : rot 180:sc= 0.115 USER MOD Set 4.2: A 22 LYS NZ :NH3+ 175:sc= 0.652 (180deg=0.519) USER MOD Single : A 15 ASN : amide:sc=-0.00868 X(o=-0.0087,f=-0.14) USER MOD Single : A 16 TYR OH : rot 80:sc= -0.61 USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.144 (180deg=-0.545) USER MOD Single : A 24 MET CE :methyl -145:sc= 0 (180deg=-0.738) USER MOD Single : A 30 GLN : amide:sc= 2.08 K(o=2.1,f=-7.2!) USER MOD Single : A 34 SER OG : rot -92:sc= 1.23 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : +bothHN:sc= -0.329 K(o=-0.33,f=-4.1!) USER MOD Single : A 42 TYR OH : rot -127:sc= 1.42 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.13) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.994) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.106 (180deg=-0.475) USER MOD Single : A 55 ASN : amide:sc= -0.454 K(o=-0.45,f=-3.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.083 K(o=-0.083,f=-10!) USER MOD Single : A 70 THR OG1 : rot -144:sc= 0 USER MOD Single : A 71 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 74 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.011) USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= 1.2 (180deg=-0.0485) USER MOD Single : A 79 TYR OH : rot 26:sc= 1.23 USER MOD Single : B 111 GLN : amide:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 115 ASN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : B 118 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.368 9.095 4.089 1.00 0.00 N ATOM 180 CA GLY A 13 -4.320 8.469 2.812 1.00 0.00 C ATOM 181 C GLY A 13 -5.056 7.171 2.806 1.00 0.00 C ATOM 182 O GLY A 13 -5.206 6.545 1.762 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.750 9.135 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.281 8.300 2.528 1.00 0.00 H new ATOM 186 N GLU A 14 -5.522 6.771 3.969 1.00 0.00 N ATOM 187 CA GLU A 14 -6.269 5.528 4.128 1.00 0.00 C ATOM 188 C GLU A 14 -7.563 5.582 3.345 1.00 0.00 C ATOM 189 O GLU A 14 -8.045 4.586 2.826 1.00 0.00 O ATOM 190 CB GLU A 14 -6.612 5.295 5.586 1.00 0.00 C ATOM 191 CG GLU A 14 -5.429 5.156 6.507 1.00 0.00 C ATOM 192 CD GLU A 14 -5.878 5.127 7.928 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.217 4.048 8.440 1.00 0.00 O ATOM 194 OE2 GLU A 14 -5.943 6.204 8.559 1.00 0.00 O ATOM 0 H GLU A 14 -5.397 7.294 4.836 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.641 4.718 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.229 6.123 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.219 4.392 5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.883 4.242 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.741 5.987 6.353 1.00 0.00 H new ATOM 201 N ASN A 15 -8.112 6.762 3.266 1.00 0.00 N ATOM 202 CA ASN A 15 -9.377 6.966 2.602 1.00 0.00 C ATOM 203 C ASN A 15 -9.139 7.695 1.272 1.00 0.00 C ATOM 204 O ASN A 15 -10.040 8.267 0.673 1.00 0.00 O ATOM 205 CB ASN A 15 -10.320 7.747 3.539 1.00 0.00 C ATOM 206 CG ASN A 15 -11.784 7.689 3.133 1.00 0.00 C ATOM 207 OD1 ASN A 15 -12.281 8.531 2.390 1.00 0.00 O ATOM 208 ND2 ASN A 15 -12.487 6.714 3.634 1.00 0.00 N ATOM 0 H ASN A 15 -7.700 7.609 3.657 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.854 6.013 2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.218 7.353 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.003 8.790 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.479 6.634 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.045 6.030 4.248 1.00 0.00 H new ATOM 215 N TYR A 16 -7.901 7.651 0.813 1.00 0.00 N ATOM 216 CA TYR A 16 -7.514 8.264 -0.450 1.00 0.00 C ATOM 217 C TYR A 16 -8.095 7.470 -1.598 1.00 0.00 C ATOM 218 O TYR A 16 -8.065 6.236 -1.595 1.00 0.00 O ATOM 219 CB TYR A 16 -5.971 8.359 -0.554 1.00 0.00 C ATOM 220 CG TYR A 16 -5.404 8.666 -1.935 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.453 9.943 -2.473 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.812 7.657 -2.693 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.933 10.208 -3.725 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.287 7.906 -3.946 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.348 9.187 -4.456 1.00 0.00 C ATOM 226 OH TYR A 16 -3.843 9.442 -5.703 1.00 0.00 O ATOM 0 H TYR A 16 -7.134 7.190 1.303 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.910 9.278 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.629 9.131 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.546 7.415 -0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.905 10.743 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.763 6.656 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.982 11.207 -4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.835 7.110 -4.519 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.959 9.857 -5.619 1.00 0.00 H new ATOM 236 N ASP A 17 -8.632 8.158 -2.556 1.00 0.00 N ATOM 237 CA ASP A 17 -9.184 7.514 -3.706 1.00 0.00 C ATOM 238 C ASP A 17 -8.712 8.215 -4.944 1.00 0.00 C ATOM 239 O ASP A 17 -9.382 9.086 -5.500 1.00 0.00 O ATOM 240 CB ASP A 17 -10.711 7.419 -3.669 1.00 0.00 C ATOM 241 CG ASP A 17 -11.233 6.539 -4.782 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.178 5.295 -4.645 1.00 0.00 O ATOM 243 OD2 ASP A 17 -11.699 7.054 -5.811 1.00 0.00 O ATOM 0 H ASP A 17 -8.700 9.176 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.827 6.484 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.030 7.019 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.142 8.416 -3.758 1.00 0.00 H new ATOM 248 N GLY A 18 -7.509 7.909 -5.299 1.00 0.00 N ATOM 249 CA GLY A 18 -6.905 8.471 -6.459 1.00 0.00 C ATOM 250 C GLY A 18 -6.766 7.438 -7.528 1.00 0.00 C ATOM 251 O GLY A 18 -6.807 6.240 -7.236 1.00 0.00 O ATOM 0 H GLY A 18 -6.913 7.257 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.508 9.302 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.925 8.876 -6.206 1.00 0.00 H new ATOM 255 N LYS A 19 -6.531 7.868 -8.722 1.00 0.00 N ATOM 256 CA LYS A 19 -6.537 6.998 -9.890 1.00 0.00 C ATOM 257 C LYS A 19 -5.120 6.634 -10.274 1.00 0.00 C ATOM 258 O LYS A 19 -4.875 6.064 -11.335 1.00 0.00 O ATOM 259 CB LYS A 19 -7.189 7.752 -11.041 1.00 0.00 C ATOM 260 CG LYS A 19 -8.486 8.410 -10.641 1.00 0.00 C ATOM 261 CD LYS A 19 -9.046 9.276 -11.734 1.00 0.00 C ATOM 262 CE LYS A 19 -10.214 10.094 -11.229 1.00 0.00 C ATOM 263 NZ LYS A 19 -9.835 11.014 -10.126 1.00 0.00 N ATOM 0 H LYS A 19 -6.325 8.844 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.087 6.084 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.499 8.511 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.374 7.062 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.215 7.643 -10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.324 9.014 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.268 9.940 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.367 8.653 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.630 10.673 -12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.000 9.423 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.562 11.750 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.756 10.478 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.921 11.459 -10.344 1.00 0.00 H new ATOM 277 N ILE A 20 -4.201 6.981 -9.428 1.00 0.00 N ATOM 278 CA ILE A 20 -2.803 6.739 -9.672 1.00 0.00 C ATOM 279 C ILE A 20 -2.476 5.249 -9.452 1.00 0.00 C ATOM 280 O ILE A 20 -2.964 4.636 -8.502 1.00 0.00 O ATOM 281 CB ILE A 20 -1.942 7.648 -8.758 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.476 7.638 -9.180 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.093 7.247 -7.297 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.373 8.625 -8.416 1.00 0.00 C ATOM 0 H ILE A 20 -4.396 7.444 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.569 6.983 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.307 8.669 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.071 6.636 -9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.410 7.861 -10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.479 7.899 -6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.138 7.340 -7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.770 6.214 -7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.404 8.566 -8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.007 9.634 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.337 8.389 -7.352 1.00 0.00 H new ATOM 296 N SER A 21 -1.711 4.677 -10.348 1.00 0.00 N ATOM 297 CA SER A 21 -1.350 3.277 -10.266 1.00 0.00 C ATOM 298 C SER A 21 0.154 3.101 -10.463 1.00 0.00 C ATOM 299 O SER A 21 0.646 2.001 -10.765 1.00 0.00 O ATOM 300 CB SER A 21 -2.096 2.530 -11.356 1.00 0.00 C ATOM 301 OG SER A 21 -1.771 3.046 -12.657 1.00 0.00 O ATOM 0 H SER A 21 -1.320 5.164 -11.154 1.00 0.00 H new ATOM 0 HA SER A 21 -1.615 2.887 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.847 1.470 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.170 2.612 -11.187 1.00 0.00 H new ATOM 0 HG SER A 21 -2.264 2.545 -13.340 1.00 0.00 H new ATOM 307 N LYS A 22 0.882 4.173 -10.284 1.00 0.00 N ATOM 308 CA LYS A 22 2.304 4.171 -10.524 1.00 0.00 C ATOM 309 C LYS A 22 3.007 4.684 -9.301 1.00 0.00 C ATOM 310 O LYS A 22 2.562 5.655 -8.684 1.00 0.00 O ATOM 311 CB LYS A 22 2.621 5.008 -11.759 1.00 0.00 C ATOM 312 CG LYS A 22 1.940 4.484 -13.022 1.00 0.00 C ATOM 313 CD LYS A 22 2.597 3.282 -13.619 1.00 0.00 C ATOM 314 CE LYS A 22 1.812 2.818 -14.835 1.00 0.00 C ATOM 315 NZ LYS A 22 0.404 2.456 -14.511 1.00 0.00 N ATOM 0 H LYS A 22 0.509 5.069 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 22 2.656 3.158 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.309 6.038 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.700 5.024 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.904 4.239 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.919 5.280 -13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.621 3.520 -13.905 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.650 2.481 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.815 3.607 -15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.311 1.956 -15.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.107 2.229 -15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.394 1.629 -13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.060 3.257 -14.038 1.00 0.00 H new ATOM 329 N THR A 23 4.107 4.072 -8.972 1.00 0.00 N ATOM 330 CA THR A 23 4.771 4.317 -7.714 1.00 0.00 C ATOM 331 C THR A 23 5.641 5.574 -7.772 1.00 0.00 C ATOM 332 O THR A 23 5.602 6.313 -8.756 1.00 0.00 O ATOM 333 CB THR A 23 5.613 3.095 -7.393 1.00 0.00 C ATOM 334 OG1 THR A 23 6.471 2.847 -8.512 1.00 0.00 O ATOM 335 CG2 THR A 23 4.711 1.883 -7.180 1.00 0.00 C ATOM 0 H THR A 23 4.574 3.387 -9.566 1.00 0.00 H new ATOM 0 HA THR A 23 4.029 4.488 -6.934 1.00 0.00 H new ATOM 0 HB THR A 23 6.193 3.268 -6.487 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.402 2.808 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.322 1.010 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.030 2.077 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.135 1.694 -8.086 1.00 0.00 H new ATOM 343 N MET A 24 6.422 5.829 -6.731 1.00 0.00 N ATOM 344 CA MET A 24 7.313 6.969 -6.717 1.00 0.00 C ATOM 345 C MET A 24 8.422 6.779 -7.760 1.00 0.00 C ATOM 346 O MET A 24 8.968 7.744 -8.295 1.00 0.00 O ATOM 347 CB MET A 24 7.856 7.237 -5.286 1.00 0.00 C ATOM 348 CG MET A 24 8.803 6.186 -4.681 1.00 0.00 C ATOM 349 SD MET A 24 10.482 6.266 -5.345 1.00 0.00 S ATOM 350 CE MET A 24 11.287 4.973 -4.398 1.00 0.00 C ATOM 0 H MET A 24 6.453 5.258 -5.887 1.00 0.00 H new ATOM 0 HA MET A 24 6.760 7.865 -6.998 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.378 8.194 -5.297 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.003 7.347 -4.617 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.841 6.321 -3.600 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.395 5.192 -4.864 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.318 5.260 -4.193 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.757 4.828 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.276 4.044 -4.968 1.00 0.00 H new ATOM 360 N SER A 25 8.706 5.525 -8.064 1.00 0.00 N ATOM 361 CA SER A 25 9.644 5.147 -9.081 1.00 0.00 C ATOM 362 C SER A 25 8.944 5.096 -10.458 1.00 0.00 C ATOM 363 O SER A 25 9.572 4.885 -11.498 1.00 0.00 O ATOM 364 CB SER A 25 10.201 3.792 -8.691 1.00 0.00 C ATOM 365 OG SER A 25 9.139 2.979 -8.187 1.00 0.00 O ATOM 0 H SER A 25 8.275 4.729 -7.593 1.00 0.00 H new ATOM 0 HA SER A 25 10.453 5.873 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.665 3.313 -9.554 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.978 3.908 -7.935 1.00 0.00 H new ATOM 0 HG SER A 25 9.246 2.864 -7.220 1.00 0.00 H new ATOM 371 N GLY A 26 7.632 5.294 -10.433 1.00 0.00 N ATOM 372 CA GLY A 26 6.827 5.299 -11.626 1.00 0.00 C ATOM 373 C GLY A 26 6.600 3.926 -12.168 1.00 0.00 C ATOM 374 O GLY A 26 6.325 3.755 -13.359 1.00 0.00 O ATOM 0 H GLY A 26 7.104 5.455 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.865 5.764 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.313 5.910 -12.386 1.00 0.00 H new ATOM 378 N LEU A 27 6.718 2.956 -11.307 1.00 0.00 N ATOM 379 CA LEU A 27 6.516 1.582 -11.656 1.00 0.00 C ATOM 380 C LEU A 27 5.050 1.266 -11.640 1.00 0.00 C ATOM 381 O LEU A 27 4.259 1.998 -11.057 1.00 0.00 O ATOM 382 CB LEU A 27 7.232 0.679 -10.668 1.00 0.00 C ATOM 383 CG LEU A 27 8.766 0.705 -10.695 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.336 -0.084 -9.533 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.277 0.127 -11.997 1.00 0.00 C ATOM 0 H LEU A 27 6.961 3.102 -10.327 1.00 0.00 H new ATOM 0 HA LEU A 27 6.918 1.412 -12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.905 0.947 -9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.906 -0.346 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 27 9.089 1.743 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.425 -0.053 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.993 0.352 -8.594 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.000 -1.119 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.367 0.151 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.937 -0.904 -12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.896 0.716 -12.831 1.00 0.00 H new ATOM 397 N GLU A 28 4.710 0.184 -12.252 1.00 0.00 N ATOM 398 CA GLU A 28 3.343 -0.273 -12.342 1.00 0.00 C ATOM 399 C GLU A 28 2.976 -0.925 -11.006 1.00 0.00 C ATOM 400 O GLU A 28 3.754 -1.753 -10.477 1.00 0.00 O ATOM 401 CB GLU A 28 3.277 -1.351 -13.432 1.00 0.00 C ATOM 402 CG GLU A 28 1.898 -1.890 -13.725 1.00 0.00 C ATOM 403 CD GLU A 28 1.036 -0.893 -14.423 1.00 0.00 C ATOM 404 OE1 GLU A 28 0.376 -0.077 -13.760 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.981 -0.928 -15.668 1.00 0.00 O ATOM 0 H GLU A 28 5.379 -0.429 -12.717 1.00 0.00 H new ATOM 0 HA GLU A 28 2.668 0.552 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.691 -0.939 -14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.919 -2.182 -13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.984 -2.786 -14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.421 -2.188 -12.791 1.00 0.00 H new ATOM 412 N CYS A 29 1.855 -0.569 -10.455 1.00 0.00 N ATOM 413 CA CYS A 29 1.404 -1.188 -9.237 1.00 0.00 C ATOM 414 C CYS A 29 0.680 -2.488 -9.501 1.00 0.00 C ATOM 415 O CYS A 29 0.010 -2.668 -10.545 1.00 0.00 O ATOM 416 CB CYS A 29 0.541 -0.253 -8.392 1.00 0.00 C ATOM 417 SG CYS A 29 -0.287 -1.064 -6.974 1.00 0.00 S ATOM 0 H CYS A 29 1.232 0.148 -10.827 1.00 0.00 H new ATOM 0 HA CYS A 29 2.302 -1.412 -8.662 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.165 0.558 -8.017 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.218 0.198 -9.031 1.00 0.00 H new ATOM 422 N GLN A 30 0.844 -3.380 -8.575 1.00 0.00 N ATOM 423 CA GLN A 30 0.216 -4.663 -8.571 1.00 0.00 C ATOM 424 C GLN A 30 -1.166 -4.520 -7.950 1.00 0.00 C ATOM 425 O GLN A 30 -1.296 -3.988 -6.848 1.00 0.00 O ATOM 426 CB GLN A 30 1.062 -5.654 -7.764 1.00 0.00 C ATOM 427 CG GLN A 30 0.398 -7.002 -7.553 1.00 0.00 C ATOM 428 CD GLN A 30 1.198 -7.930 -6.669 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.429 -7.900 -6.638 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.512 -8.751 -5.938 1.00 0.00 N ATOM 0 H GLN A 30 1.446 -3.226 -7.766 1.00 0.00 H new ATOM 0 HA GLN A 30 0.125 -5.041 -9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.013 -5.805 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.288 -5.216 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.586 -6.849 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.242 -7.478 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.507 -8.749 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.991 -9.399 -5.312 1.00 0.00 H new ATOM 439 N ALA A 31 -2.178 -4.990 -8.659 1.00 0.00 N ATOM 440 CA ALA A 31 -3.549 -4.899 -8.215 1.00 0.00 C ATOM 441 C ALA A 31 -3.725 -5.574 -6.874 1.00 0.00 C ATOM 442 O ALA A 31 -3.222 -6.676 -6.653 1.00 0.00 O ATOM 443 CB ALA A 31 -4.482 -5.515 -9.253 1.00 0.00 C ATOM 0 H ALA A 31 -2.066 -5.447 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.804 -3.846 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.513 -5.440 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.378 -4.982 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.223 -6.564 -9.398 1.00 0.00 H new ATOM 449 N TRP A 32 -4.453 -4.915 -5.998 1.00 0.00 N ATOM 450 CA TRP A 32 -4.670 -5.364 -4.635 1.00 0.00 C ATOM 451 C TRP A 32 -5.323 -6.744 -4.557 1.00 0.00 C ATOM 452 O TRP A 32 -5.160 -7.456 -3.570 1.00 0.00 O ATOM 453 CB TRP A 32 -5.509 -4.349 -3.875 1.00 0.00 C ATOM 454 CG TRP A 32 -4.888 -2.991 -3.774 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.223 -1.885 -4.492 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.822 -2.594 -2.903 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.449 -0.828 -4.106 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.574 -1.234 -3.147 1.00 0.00 C ATOM 459 CE3 TRP A 32 -3.057 -3.252 -1.939 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.593 -0.518 -2.468 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -2.086 -2.537 -1.266 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.864 -1.184 -1.535 1.00 0.00 C ATOM 0 H TRP A 32 -4.921 -4.035 -6.215 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.686 -5.452 -4.174 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.479 -4.257 -4.364 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.694 -4.727 -2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.987 -1.848 -5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.517 0.119 -4.479 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.221 -4.298 -1.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.418 0.527 -2.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.487 -3.033 -0.517 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.096 -0.656 -0.989 1.00 0.00 H new ATOM 473 N ASP A 33 -6.060 -7.115 -5.582 1.00 0.00 N ATOM 474 CA ASP A 33 -6.713 -8.432 -5.619 1.00 0.00 C ATOM 475 C ASP A 33 -5.763 -9.494 -6.179 1.00 0.00 C ATOM 476 O ASP A 33 -5.936 -10.694 -5.944 1.00 0.00 O ATOM 477 CB ASP A 33 -8.000 -8.377 -6.460 1.00 0.00 C ATOM 478 CG ASP A 33 -8.709 -9.724 -6.571 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.459 -10.106 -5.639 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.555 -10.420 -7.607 1.00 0.00 O ATOM 0 H ASP A 33 -6.229 -6.535 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.976 -8.706 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.683 -7.651 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.757 -8.019 -7.460 1.00 0.00 H new ATOM 485 N SER A 34 -4.732 -9.042 -6.856 1.00 0.00 N ATOM 486 CA SER A 34 -3.814 -9.919 -7.528 1.00 0.00 C ATOM 487 C SER A 34 -2.767 -10.416 -6.535 1.00 0.00 C ATOM 488 O SER A 34 -2.092 -9.624 -5.880 1.00 0.00 O ATOM 489 CB SER A 34 -3.155 -9.175 -8.701 1.00 0.00 C ATOM 490 OG SER A 34 -2.497 -10.065 -9.603 1.00 0.00 O ATOM 0 H SER A 34 -4.510 -8.051 -6.954 1.00 0.00 H new ATOM 0 HA SER A 34 -4.348 -10.782 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.913 -8.608 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.434 -8.455 -8.313 1.00 0.00 H new ATOM 0 HG SER A 34 -1.558 -10.164 -9.339 1.00 0.00 H new ATOM 496 N GLN A 35 -2.636 -11.723 -6.433 1.00 0.00 N ATOM 497 CA GLN A 35 -1.713 -12.358 -5.499 1.00 0.00 C ATOM 498 C GLN A 35 -0.378 -12.656 -6.214 1.00 0.00 C ATOM 499 O GLN A 35 0.540 -13.265 -5.661 1.00 0.00 O ATOM 500 CB GLN A 35 -2.377 -13.645 -4.949 1.00 0.00 C ATOM 501 CG GLN A 35 -1.664 -14.358 -3.786 1.00 0.00 C ATOM 502 CD GLN A 35 -1.515 -13.503 -2.529 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.358 -12.285 -2.590 1.00 0.00 O ATOM 504 NE2 GLN A 35 -1.595 -14.122 -1.389 1.00 0.00 N ATOM 0 H GLN A 35 -3.169 -12.384 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.493 -11.698 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.386 -13.393 -4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.475 -14.354 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.218 -15.262 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.675 -14.672 -4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.725 -15.133 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.527 -13.596 -0.517 1.00 0.00 H new ATOM 513 N SER A 36 -0.282 -12.181 -7.427 1.00 0.00 N ATOM 514 CA SER A 36 0.873 -12.333 -8.254 1.00 0.00 C ATOM 515 C SER A 36 1.132 -10.977 -8.899 1.00 0.00 C ATOM 516 O SER A 36 0.178 -10.289 -9.276 1.00 0.00 O ATOM 517 CB SER A 36 0.623 -13.404 -9.333 1.00 0.00 C ATOM 518 OG SER A 36 0.236 -14.655 -8.748 1.00 0.00 O ATOM 0 H SER A 36 -1.035 -11.660 -7.877 1.00 0.00 H new ATOM 0 HA SER A 36 1.734 -12.657 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.157 -13.062 -10.014 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.526 -13.542 -9.927 1.00 0.00 H new ATOM 0 HG SER A 36 0.083 -15.314 -9.457 1.00 0.00 H new ATOM 524 N PRO A 37 2.398 -10.538 -8.973 1.00 0.00 N ATOM 525 CA PRO A 37 3.582 -11.418 -8.774 1.00 0.00 C ATOM 526 C PRO A 37 3.881 -11.658 -7.298 1.00 0.00 C ATOM 527 O PRO A 37 4.385 -12.707 -6.912 1.00 0.00 O ATOM 528 CB PRO A 37 4.721 -10.578 -9.366 1.00 0.00 C ATOM 529 CG PRO A 37 4.232 -9.192 -9.198 1.00 0.00 C ATOM 530 CD PRO A 37 2.803 -9.263 -9.587 1.00 0.00 C ATOM 0 HA PRO A 37 3.439 -12.401 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.660 -10.742 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.898 -10.819 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.349 -8.850 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.783 -8.496 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.230 -8.420 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.672 -9.268 -10.669 1.00 0.00 H new ATOM 538 N HIS A 38 3.566 -10.684 -6.490 1.00 0.00 N ATOM 539 CA HIS A 38 3.891 -10.739 -5.094 1.00 0.00 C ATOM 540 C HIS A 38 2.727 -11.145 -4.224 1.00 0.00 C ATOM 541 O HIS A 38 1.648 -10.546 -4.276 1.00 0.00 O ATOM 542 CB HIS A 38 4.479 -9.416 -4.639 1.00 0.00 C ATOM 543 CG HIS A 38 5.816 -9.152 -5.231 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.049 -8.179 -6.170 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.998 -9.781 -5.045 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.304 -8.232 -6.538 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.904 -9.189 -5.870 1.00 0.00 N ATOM 0 H HIS A 38 3.080 -9.835 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 38 4.638 -11.524 -4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.800 -8.608 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.560 -9.413 -3.552 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.356 -7.520 -6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.188 -10.601 -4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.770 -7.592 -7.272 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.887 -9.447 -5.955 1.00 0.00 H new ATOM 556 N ALA A 39 2.948 -12.166 -3.434 1.00 0.00 N ATOM 557 CA ALA A 39 1.975 -12.634 -2.491 1.00 0.00 C ATOM 558 C ALA A 39 1.898 -11.640 -1.351 1.00 0.00 C ATOM 559 O ALA A 39 2.926 -11.210 -0.815 1.00 0.00 O ATOM 560 CB ALA A 39 2.345 -14.018 -1.983 1.00 0.00 C ATOM 0 H ALA A 39 3.818 -12.698 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 39 1.000 -12.715 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.595 -14.356 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.387 -14.714 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.319 -13.978 -1.495 1.00 0.00 H new ATOM 566 N HIS A 40 0.709 -11.252 -1.001 1.00 0.00 N ATOM 567 CA HIS A 40 0.508 -10.239 -0.014 1.00 0.00 C ATOM 568 C HIS A 40 -0.742 -10.573 0.789 1.00 0.00 C ATOM 569 O HIS A 40 -1.713 -11.067 0.227 1.00 0.00 O ATOM 570 CB HIS A 40 0.357 -8.871 -0.733 1.00 0.00 C ATOM 571 CG HIS A 40 -0.916 -8.698 -1.552 1.00 0.00 C ATOM 572 ND1 HIS A 40 -1.370 -9.598 -2.479 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.857 -7.756 -1.488 1.00 0.00 C ATOM 574 CE1 HIS A 40 -2.529 -9.210 -2.927 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.843 -8.097 -2.344 1.00 0.00 N ATOM 0 H HIS A 40 -0.152 -11.632 -1.395 1.00 0.00 H new ATOM 0 HA HIS A 40 1.356 -10.187 0.669 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.397 -8.080 0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.214 -8.730 -1.391 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.877 -10.441 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.834 -6.876 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.128 -9.729 -3.661 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.698 -7.564 -2.506 1.00 0.00 H new ATOM 584 N GLY A 41 -0.731 -10.293 2.072 1.00 0.00 N ATOM 585 CA GLY A 41 -1.885 -10.575 2.892 1.00 0.00 C ATOM 586 C GLY A 41 -2.854 -9.426 2.978 1.00 0.00 C ATOM 587 O GLY A 41 -3.639 -9.344 3.915 1.00 0.00 O ATOM 0 H GLY A 41 0.057 -9.874 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.402 -11.447 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.552 -10.836 3.897 1.00 0.00 H new ATOM 591 N TYR A 42 -2.819 -8.546 2.009 1.00 0.00 N ATOM 592 CA TYR A 42 -3.731 -7.433 2.003 1.00 0.00 C ATOM 593 C TYR A 42 -4.831 -7.737 1.058 1.00 0.00 C ATOM 594 O TYR A 42 -4.813 -7.332 -0.107 1.00 0.00 O ATOM 595 CB TYR A 42 -3.073 -6.087 1.674 1.00 0.00 C ATOM 596 CG TYR A 42 -2.181 -5.528 2.755 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.846 -5.875 2.835 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.679 -4.620 3.683 1.00 0.00 C ATOM 599 CE1 TYR A 42 -0.031 -5.335 3.803 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.867 -4.079 4.660 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.546 -4.435 4.714 1.00 0.00 C ATOM 602 OH TYR A 42 0.280 -3.882 5.681 1.00 0.00 O ATOM 0 H TYR A 42 -2.173 -8.579 1.220 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.114 -7.312 3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.486 -6.201 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.857 -5.360 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.436 -6.580 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.719 -4.333 3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.011 -5.615 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.271 -3.380 5.377 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.120 -4.013 6.566 1.00 0.00 H new ATOM 612 N ILE A 43 -5.698 -8.575 1.517 1.00 0.00 N ATOM 613 CA ILE A 43 -6.841 -8.987 0.746 1.00 0.00 C ATOM 614 C ILE A 43 -7.912 -7.885 0.836 1.00 0.00 C ATOM 615 O ILE A 43 -8.387 -7.577 1.933 1.00 0.00 O ATOM 616 CB ILE A 43 -7.416 -10.297 1.351 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.298 -11.343 1.572 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.533 -10.870 0.477 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.608 -11.832 0.306 1.00 0.00 C ATOM 0 H ILE A 43 -5.641 -9.001 2.442 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.554 -9.155 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.846 -10.051 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.546 -10.913 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.724 -12.203 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.914 -11.786 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.341 -10.143 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.141 -11.090 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.842 -12.561 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.342 -12.297 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.146 -10.988 -0.206 1.00 0.00 H new ATOM 631 N PRO A 44 -8.378 -7.340 -0.305 1.00 0.00 N ATOM 632 CA PRO A 44 -9.357 -6.231 -0.318 1.00 0.00 C ATOM 633 C PRO A 44 -10.742 -6.665 0.145 1.00 0.00 C ATOM 634 O PRO A 44 -11.610 -5.838 0.430 1.00 0.00 O ATOM 635 CB PRO A 44 -9.420 -5.808 -1.793 1.00 0.00 C ATOM 636 CG PRO A 44 -8.272 -6.479 -2.459 1.00 0.00 C ATOM 637 CD PRO A 44 -7.979 -7.716 -1.669 1.00 0.00 C ATOM 0 HA PRO A 44 -9.054 -5.434 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.365 -6.109 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.350 -4.725 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.516 -6.728 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.403 -5.822 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.547 -8.572 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.925 -7.987 -1.721 1.00 0.00 H new ATOM 645 N SER A 45 -10.940 -7.958 0.235 1.00 0.00 N ATOM 646 CA SER A 45 -12.200 -8.497 0.623 1.00 0.00 C ATOM 647 C SER A 45 -12.331 -8.473 2.146 1.00 0.00 C ATOM 648 O SER A 45 -13.431 -8.323 2.685 1.00 0.00 O ATOM 649 CB SER A 45 -12.307 -9.925 0.091 1.00 0.00 C ATOM 650 OG SER A 45 -11.961 -9.956 -1.293 1.00 0.00 O ATOM 0 H SER A 45 -10.225 -8.658 0.039 1.00 0.00 H new ATOM 0 HA SER A 45 -13.009 -7.897 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.645 -10.583 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.322 -10.299 0.229 1.00 0.00 H new ATOM 0 HG SER A 45 -12.030 -10.875 -1.627 1.00 0.00 H new ATOM 656 N LYS A 46 -11.203 -8.597 2.842 1.00 0.00 N ATOM 657 CA LYS A 46 -11.229 -8.633 4.252 1.00 0.00 C ATOM 658 C LYS A 46 -10.790 -7.293 4.839 1.00 0.00 C ATOM 659 O LYS A 46 -10.985 -7.026 6.033 1.00 0.00 O ATOM 660 CB LYS A 46 -10.420 -9.819 4.755 1.00 0.00 C ATOM 661 CG LYS A 46 -8.902 -9.687 4.729 1.00 0.00 C ATOM 662 CD LYS A 46 -8.302 -9.729 6.143 1.00 0.00 C ATOM 663 CE LYS A 46 -8.575 -11.055 6.856 1.00 0.00 C ATOM 664 NZ LYS A 46 -7.999 -11.101 8.215 1.00 0.00 N ATOM 0 H LYS A 46 -10.274 -8.672 2.428 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.251 -8.783 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.724 -10.024 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.694 -10.691 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.477 -10.492 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.627 -8.750 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.226 -9.568 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.714 -8.911 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.651 -11.215 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.164 -11.873 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.094 -12.062 8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.993 -10.842 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.504 -10.431 8.829 1.00 0.00 H new ATOM 678 N PHE A 47 -10.193 -6.458 3.996 1.00 0.00 N ATOM 679 CA PHE A 47 -9.877 -5.080 4.360 1.00 0.00 C ATOM 680 C PHE A 47 -10.628 -4.152 3.382 1.00 0.00 C ATOM 681 O PHE A 47 -10.042 -3.650 2.443 1.00 0.00 O ATOM 682 CB PHE A 47 -8.354 -4.762 4.267 1.00 0.00 C ATOM 683 CG PHE A 47 -7.424 -5.673 5.035 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.239 -5.537 6.400 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.724 -6.666 4.374 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.377 -6.378 7.077 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.864 -7.499 5.051 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.693 -7.358 6.404 1.00 0.00 C ATOM 0 H PHE A 47 -9.916 -6.713 3.048 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.178 -4.928 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.064 -4.787 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.197 -3.742 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.772 -4.768 6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.855 -6.789 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.241 -6.263 8.142 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.323 -8.265 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.023 -8.016 6.937 1.00 0.00 H new ATOM 698 N PRO A 48 -11.951 -3.976 3.536 1.00 0.00 N ATOM 699 CA PRO A 48 -12.741 -3.155 2.601 1.00 0.00 C ATOM 700 C PRO A 48 -12.598 -1.658 2.885 1.00 0.00 C ATOM 701 O PRO A 48 -12.632 -0.822 1.977 1.00 0.00 O ATOM 702 CB PRO A 48 -14.164 -3.614 2.895 1.00 0.00 C ATOM 703 CG PRO A 48 -14.131 -3.920 4.349 1.00 0.00 C ATOM 704 CD PRO A 48 -12.800 -4.559 4.599 1.00 0.00 C ATOM 0 HA PRO A 48 -12.429 -3.278 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.893 -2.837 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.434 -4.490 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.248 -3.013 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.945 -4.590 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.420 -4.326 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.852 -5.645 4.524 1.00 0.00 H new ATOM 712 N ASN A 49 -12.375 -1.363 4.145 1.00 0.00 N ATOM 713 CA ASN A 49 -12.299 -0.007 4.694 1.00 0.00 C ATOM 714 C ASN A 49 -11.161 0.812 4.098 1.00 0.00 C ATOM 715 O ASN A 49 -11.285 2.019 3.925 1.00 0.00 O ATOM 716 CB ASN A 49 -12.105 -0.131 6.215 1.00 0.00 C ATOM 717 CG ASN A 49 -11.876 1.181 6.953 1.00 0.00 C ATOM 718 OD1 ASN A 49 -12.406 2.231 6.595 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.086 1.112 8.003 1.00 0.00 N ATOM 0 H ASN A 49 -12.234 -2.083 4.854 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.220 0.519 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.984 -0.618 6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.256 -0.787 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.894 1.949 8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.665 0.221 8.267 1.00 0.00 H new ATOM 726 N LYS A 50 -10.103 0.154 3.702 1.00 0.00 N ATOM 727 CA LYS A 50 -8.904 0.844 3.273 1.00 0.00 C ATOM 728 C LYS A 50 -8.910 1.182 1.784 1.00 0.00 C ATOM 729 O LYS A 50 -7.886 1.580 1.221 1.00 0.00 O ATOM 730 CB LYS A 50 -7.700 0.027 3.664 1.00 0.00 C ATOM 731 CG LYS A 50 -7.626 -0.260 5.162 1.00 0.00 C ATOM 732 CD LYS A 50 -7.639 1.023 5.994 1.00 0.00 C ATOM 733 CE LYS A 50 -7.624 0.701 7.468 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.679 1.898 8.307 1.00 0.00 N ATOM 0 H LYS A 50 -10.043 -0.864 3.666 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.865 1.808 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.718 -0.918 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.797 0.554 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.468 -0.889 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.718 -0.823 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.773 1.635 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.526 1.610 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.472 0.057 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.721 0.138 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.397 1.655 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.031 2.617 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.649 2.274 8.312 1.00 0.00 H new ATOM 748 N ASN A 51 -10.069 0.998 1.169 1.00 0.00 N ATOM 749 CA ASN A 51 -10.345 1.416 -0.210 1.00 0.00 C ATOM 750 C ASN A 51 -9.361 0.818 -1.233 1.00 0.00 C ATOM 751 O ASN A 51 -8.932 1.496 -2.171 1.00 0.00 O ATOM 752 CB ASN A 51 -10.343 2.959 -0.308 1.00 0.00 C ATOM 753 CG ASN A 51 -10.920 3.445 -1.624 1.00 0.00 C ATOM 754 OD1 ASN A 51 -11.801 2.803 -2.195 1.00 0.00 O ATOM 755 ND2 ASN A 51 -10.421 4.537 -2.128 1.00 0.00 N ATOM 0 H ASN A 51 -10.865 0.545 1.619 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.332 1.029 -0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.921 3.376 0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.323 3.328 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.760 4.886 -3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.691 5.043 -1.626 1.00 0.00 H new ATOM 762 N LEU A 52 -9.060 -0.448 -1.111 1.00 0.00 N ATOM 763 CA LEU A 52 -8.161 -1.082 -2.030 1.00 0.00 C ATOM 764 C LEU A 52 -8.851 -1.287 -3.384 1.00 0.00 C ATOM 765 O LEU A 52 -9.603 -2.249 -3.584 1.00 0.00 O ATOM 766 CB LEU A 52 -7.617 -2.415 -1.487 1.00 0.00 C ATOM 767 CG LEU A 52 -6.763 -2.394 -0.192 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.745 -1.270 -0.182 1.00 0.00 C ATOM 769 CD2 LEU A 52 -7.613 -2.377 1.049 1.00 0.00 C ATOM 0 H LEU A 52 -9.427 -1.059 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.304 -0.421 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.468 -3.074 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.016 -2.872 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.201 -3.328 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.176 -1.303 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.067 -1.386 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.260 -0.312 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.971 -2.363 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.244 -1.488 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.241 -3.268 1.072 1.00 0.00 H new ATOM 781 N LYS A 53 -8.659 -0.327 -4.271 1.00 0.00 N ATOM 782 CA LYS A 53 -9.245 -0.359 -5.592 1.00 0.00 C ATOM 783 C LYS A 53 -8.165 -0.592 -6.605 1.00 0.00 C ATOM 784 O LYS A 53 -7.070 -0.030 -6.487 1.00 0.00 O ATOM 785 CB LYS A 53 -9.918 0.961 -5.955 1.00 0.00 C ATOM 786 CG LYS A 53 -11.032 1.486 -5.029 1.00 0.00 C ATOM 787 CD LYS A 53 -12.332 0.675 -5.127 1.00 0.00 C ATOM 788 CE LYS A 53 -12.402 -0.453 -4.118 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.566 0.063 -2.737 1.00 0.00 N ATOM 0 H LYS A 53 -8.089 0.499 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.990 -1.155 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.143 1.726 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.337 0.857 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.677 1.469 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.241 2.527 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.182 1.341 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.422 0.263 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.236 -1.111 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.494 -1.053 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.944 -0.466 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.314 1.072 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.555 -0.054 -2.438 1.00 0.00 H new ATOM 803 N LYS A 54 -8.528 -1.337 -7.612 1.00 0.00 N ATOM 804 CA LYS A 54 -7.664 -1.745 -8.731 1.00 0.00 C ATOM 805 C LYS A 54 -6.220 -2.042 -8.303 1.00 0.00 C ATOM 806 O LYS A 54 -5.945 -3.007 -7.581 1.00 0.00 O ATOM 807 CB LYS A 54 -7.696 -0.700 -9.875 1.00 0.00 C ATOM 808 CG LYS A 54 -9.052 -0.485 -10.521 1.00 0.00 C ATOM 809 CD LYS A 54 -9.542 -1.746 -11.202 1.00 0.00 C ATOM 810 CE LYS A 54 -10.843 -1.510 -11.938 1.00 0.00 C ATOM 811 NZ LYS A 54 -10.731 -0.434 -12.948 1.00 0.00 N ATOM 0 H LYS A 54 -9.476 -1.704 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.076 -2.683 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.344 0.254 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.990 -1.008 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.773 -0.174 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.986 0.323 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.786 -2.100 -11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.680 -2.531 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.154 -2.433 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.622 -1.252 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.519 -0.507 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.765 0.491 -12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.830 -0.529 -13.458 1.00 0.00 H new ATOM 825 N ASN A 55 -5.342 -1.176 -8.730 1.00 0.00 N ATOM 826 CA ASN A 55 -3.933 -1.193 -8.418 1.00 0.00 C ATOM 827 C ASN A 55 -3.564 0.251 -8.141 1.00 0.00 C ATOM 828 O ASN A 55 -2.472 0.721 -8.431 1.00 0.00 O ATOM 829 CB ASN A 55 -3.112 -1.746 -9.613 1.00 0.00 C ATOM 830 CG ASN A 55 -3.123 -0.867 -10.864 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.113 -0.185 -11.183 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.032 -0.868 -11.576 1.00 0.00 N ATOM 0 H ASN A 55 -5.600 -0.398 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.717 -1.838 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.079 -1.884 -9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.498 -2.731 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.974 -0.299 -12.420 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.236 -1.438 -11.289 1.00 0.00 H new ATOM 839 N TYR A 56 -4.513 0.941 -7.583 1.00 0.00 N ATOM 840 CA TYR A 56 -4.377 2.325 -7.281 1.00 0.00 C ATOM 841 C TYR A 56 -3.715 2.481 -5.936 1.00 0.00 C ATOM 842 O TYR A 56 -3.978 1.687 -5.036 1.00 0.00 O ATOM 843 CB TYR A 56 -5.748 2.983 -7.307 1.00 0.00 C ATOM 844 CG TYR A 56 -6.404 3.067 -8.682 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.701 2.780 -9.864 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.734 3.445 -8.797 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.314 2.872 -11.094 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.348 3.538 -10.030 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.635 3.252 -11.173 1.00 0.00 C ATOM 850 OH TYR A 56 -8.245 3.350 -12.404 1.00 0.00 O ATOM 0 H TYR A 56 -5.417 0.547 -7.322 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.750 2.815 -8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.410 2.432 -6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.657 3.992 -6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.664 2.483 -9.807 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.300 3.671 -7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.760 2.647 -11.993 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.384 3.834 -10.098 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.177 3.628 -12.286 1.00 0.00 H new ATOM 860 N CYS A 57 -2.895 3.517 -5.778 1.00 0.00 N ATOM 861 CA CYS A 57 -2.116 3.670 -4.555 1.00 0.00 C ATOM 862 C CYS A 57 -3.041 3.933 -3.402 1.00 0.00 C ATOM 863 O CYS A 57 -3.894 4.826 -3.471 1.00 0.00 O ATOM 864 CB CYS A 57 -1.093 4.795 -4.671 1.00 0.00 C ATOM 865 SG CYS A 57 0.028 4.668 -6.114 1.00 0.00 S ATOM 0 H CYS A 57 -2.754 4.252 -6.471 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.566 2.744 -4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.624 5.746 -4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.492 4.815 -3.762 1.00 0.00 H new ATOM 870 N ARG A 58 -2.916 3.153 -2.373 1.00 0.00 N ATOM 871 CA ARG A 58 -3.792 3.236 -1.234 1.00 0.00 C ATOM 872 C ARG A 58 -2.986 3.155 0.041 1.00 0.00 C ATOM 873 O ARG A 58 -1.775 2.916 -0.007 1.00 0.00 O ATOM 874 CB ARG A 58 -4.846 2.113 -1.292 1.00 0.00 C ATOM 875 CG ARG A 58 -5.838 2.224 -2.444 1.00 0.00 C ATOM 876 CD ARG A 58 -6.569 3.559 -2.417 1.00 0.00 C ATOM 877 NE ARG A 58 -7.586 3.665 -3.471 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.470 4.402 -4.577 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.313 4.988 -4.874 1.00 0.00 N ATOM 880 NH2 ARG A 58 -8.509 4.556 -5.401 1.00 0.00 N ATOM 0 H ARG A 58 -2.198 2.433 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.314 4.193 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.331 1.155 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.400 2.106 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.311 2.114 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.560 1.410 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.043 3.690 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.847 4.367 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.448 3.134 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.510 4.875 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.229 5.551 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.400 4.108 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.412 5.121 -6.244 1.00 0.00 H new ATOM 894 N ASN A 59 -3.631 3.378 1.151 1.00 0.00 N ATOM 895 CA ASN A 59 -2.986 3.325 2.443 1.00 0.00 C ATOM 896 C ASN A 59 -3.858 2.513 3.391 1.00 0.00 C ATOM 897 O ASN A 59 -4.870 2.981 3.873 1.00 0.00 O ATOM 898 CB ASN A 59 -2.748 4.746 3.003 1.00 0.00 C ATOM 899 CG ASN A 59 -2.035 4.788 4.358 1.00 0.00 C ATOM 900 OD1 ASN A 59 -2.097 3.871 5.142 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.430 5.900 4.660 1.00 0.00 N ATOM 0 H ASN A 59 -4.625 3.603 1.191 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.011 2.849 2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.161 5.313 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.710 5.250 3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.995 6.011 5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.391 6.660 3.981 1.00 0.00 H new ATOM 908 N PRO A 60 -3.542 1.258 3.571 1.00 0.00 N ATOM 909 CA PRO A 60 -4.249 0.418 4.518 1.00 0.00 C ATOM 910 C PRO A 60 -3.614 0.423 5.919 1.00 0.00 C ATOM 911 O PRO A 60 -4.304 0.390 6.933 1.00 0.00 O ATOM 912 CB PRO A 60 -4.095 -0.957 3.878 1.00 0.00 C ATOM 913 CG PRO A 60 -2.738 -0.908 3.253 1.00 0.00 C ATOM 914 CD PRO A 60 -2.530 0.511 2.802 1.00 0.00 C ATOM 0 HA PRO A 60 -5.275 0.745 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.166 -1.753 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.871 -1.142 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.970 -1.205 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.673 -1.597 2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.520 0.859 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.680 0.619 1.728 1.00 0.00 H new ATOM 922 N ASP A 61 -2.317 0.524 5.930 1.00 0.00 N ATOM 923 CA ASP A 61 -1.464 0.330 7.088 1.00 0.00 C ATOM 924 C ASP A 61 -1.264 1.564 7.952 1.00 0.00 C ATOM 925 O ASP A 61 -0.594 1.492 8.996 1.00 0.00 O ATOM 926 CB ASP A 61 -0.128 -0.188 6.612 1.00 0.00 C ATOM 927 CG ASP A 61 0.638 0.772 5.706 1.00 0.00 C ATOM 928 OD1 ASP A 61 0.020 1.563 5.006 1.00 0.00 O ATOM 929 OD2 ASP A 61 1.885 0.675 5.655 1.00 0.00 O ATOM 0 H ASP A 61 -1.788 0.756 5.090 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.973 -0.385 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.489 -0.417 7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.286 -1.124 6.077 1.00 0.00 H new ATOM 934 N ARG A 62 -1.819 2.665 7.530 1.00 0.00 N ATOM 935 CA ARG A 62 -1.771 3.950 8.234 1.00 0.00 C ATOM 936 C ARG A 62 -0.370 4.561 8.207 1.00 0.00 C ATOM 937 O ARG A 62 -0.065 5.421 9.042 1.00 0.00 O ATOM 938 CB ARG A 62 -2.259 3.898 9.714 1.00 0.00 C ATOM 939 CG ARG A 62 -3.670 3.368 9.973 1.00 0.00 C ATOM 940 CD ARG A 62 -3.661 1.908 10.394 1.00 0.00 C ATOM 941 NE ARG A 62 -2.815 1.733 11.585 1.00 0.00 N ATOM 942 CZ ARG A 62 -2.756 0.662 12.370 1.00 0.00 C ATOM 943 NH1 ARG A 62 -3.644 -0.315 12.254 1.00 0.00 N ATOM 944 NH2 ARG A 62 -1.858 0.623 13.344 1.00 0.00 N ATOM 0 H ARG A 62 -2.341 2.711 6.655 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.471 4.576 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.559 3.281 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.198 4.906 10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.145 3.967 10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.271 3.482 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.677 1.576 10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.288 1.288 9.579 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.210 2.516 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.385 -0.251 11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.587 -1.131 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.223 1.409 13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.802 -0.193 13.954 1.00 0.00 H new ATOM 958 N ASP A 63 0.492 4.133 7.271 1.00 0.00 N ATOM 959 CA ASP A 63 1.838 4.719 7.134 1.00 0.00 C ATOM 960 C ASP A 63 1.747 6.234 6.743 1.00 0.00 C ATOM 961 O ASP A 63 0.647 6.822 6.710 1.00 0.00 O ATOM 962 CB ASP A 63 2.673 3.932 6.101 1.00 0.00 C ATOM 963 CG ASP A 63 4.157 4.223 6.228 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.801 3.707 7.178 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.705 4.977 5.427 1.00 0.00 O ATOM 0 H ASP A 63 0.285 3.390 6.603 1.00 0.00 H new ATOM 0 HA ASP A 63 2.341 4.650 8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.501 2.864 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.339 4.186 5.095 1.00 0.00 H new ATOM 970 N LEU A 64 2.862 6.850 6.422 1.00 0.00 N ATOM 971 CA LEU A 64 2.902 8.284 6.177 1.00 0.00 C ATOM 972 C LEU A 64 2.344 8.627 4.819 1.00 0.00 C ATOM 973 O LEU A 64 1.749 9.694 4.631 1.00 0.00 O ATOM 974 CB LEU A 64 4.333 8.861 6.307 1.00 0.00 C ATOM 975 CG LEU A 64 5.013 8.810 7.691 1.00 0.00 C ATOM 976 CD1 LEU A 64 4.126 9.394 8.772 1.00 0.00 C ATOM 977 CD2 LEU A 64 5.493 7.410 8.049 1.00 0.00 C ATOM 0 H LEU A 64 3.762 6.381 6.323 1.00 0.00 H new ATOM 0 HA LEU A 64 2.278 8.740 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.972 8.330 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.303 9.903 5.988 1.00 0.00 H new ATOM 0 HG LEU A 64 5.902 9.437 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.639 9.340 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.903 10.435 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.196 8.827 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.964 7.427 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.643 6.727 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.215 7.072 7.306 1.00 0.00 H new ATOM 989 N ARG A 65 2.531 7.742 3.880 1.00 0.00 N ATOM 990 CA ARG A 65 2.095 7.964 2.546 1.00 0.00 C ATOM 991 C ARG A 65 1.515 6.717 1.973 1.00 0.00 C ATOM 992 O ARG A 65 1.990 5.629 2.284 1.00 0.00 O ATOM 993 CB ARG A 65 3.250 8.384 1.657 1.00 0.00 C ATOM 994 CG ARG A 65 3.599 9.852 1.670 1.00 0.00 C ATOM 995 CD ARG A 65 4.659 10.133 0.624 1.00 0.00 C ATOM 996 NE ARG A 65 4.908 11.563 0.455 1.00 0.00 N ATOM 997 CZ ARG A 65 5.381 12.130 -0.663 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.796 11.379 -1.683 1.00 0.00 N ATOM 999 NH2 ARG A 65 5.475 13.446 -0.735 1.00 0.00 N ATOM 0 H ARG A 65 2.993 6.845 4.028 1.00 0.00 H new ATOM 0 HA ARG A 65 1.346 8.755 2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.134 7.819 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.016 8.096 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.709 10.449 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.962 10.141 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.587 9.636 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.348 9.706 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 65 4.707 12.174 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.755 10.362 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.154 11.821 -2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.189 14.022 0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.834 13.886 -1.582 1.00 0.00 H new ATOM 1013 N PRO A 66 0.442 6.840 1.166 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.075 5.727 0.397 1.00 0.00 C ATOM 1015 C PRO A 66 0.994 5.138 -0.497 1.00 0.00 C ATOM 1016 O PRO A 66 1.908 5.834 -0.985 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.172 6.355 -0.446 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.651 7.450 0.410 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.400 8.035 1.002 1.00 0.00 C ATOM 0 HA PRO A 66 -0.426 4.912 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.790 6.723 -1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.965 5.643 -0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.203 8.193 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.324 7.083 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.059 8.771 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.592 8.534 1.952 1.00 0.00 H new ATOM 1027 N TRP A 67 0.849 3.911 -0.749 1.00 0.00 N ATOM 1028 CA TRP A 67 1.805 3.151 -1.446 1.00 0.00 C ATOM 1029 C TRP A 67 1.083 2.139 -2.286 1.00 0.00 C ATOM 1030 O TRP A 67 -0.152 2.182 -2.375 1.00 0.00 O ATOM 1031 CB TRP A 67 2.775 2.488 -0.443 1.00 0.00 C ATOM 1032 CG TRP A 67 2.092 1.726 0.651 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.726 2.214 1.866 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.695 0.351 0.633 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.120 1.242 2.596 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.084 0.081 1.861 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.793 -0.669 -0.308 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.571 -1.180 2.170 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.290 -1.906 -0.002 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.685 -2.154 1.227 1.00 0.00 C ATOM 0 H TRP A 67 0.027 3.377 -0.466 1.00 0.00 H new ATOM 0 HA TRP A 67 2.403 3.783 -2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.436 1.812 -0.985 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.404 3.259 0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.893 3.227 2.202 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.750 1.356 3.540 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.259 -0.488 -1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.101 -1.375 3.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.364 -2.703 -0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.298 -3.140 1.436 1.00 0.00 H new ATOM 1051 N CYS A 68 1.805 1.261 -2.896 1.00 0.00 N ATOM 1052 CA CYS A 68 1.206 0.270 -3.713 1.00 0.00 C ATOM 1053 C CYS A 68 2.179 -0.892 -3.836 1.00 0.00 C ATOM 1054 O CYS A 68 3.364 -0.731 -3.513 1.00 0.00 O ATOM 1055 CB CYS A 68 0.898 0.883 -5.072 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.718 0.430 -5.716 1.00 0.00 S ATOM 0 H CYS A 68 2.822 1.213 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 68 0.274 -0.096 -3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.957 1.969 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.663 0.573 -5.783 1.00 0.00 H new ATOM 1061 N PHE A 69 1.706 -2.056 -4.234 1.00 0.00 N ATOM 1062 CA PHE A 69 2.590 -3.180 -4.425 1.00 0.00 C ATOM 1063 C PHE A 69 3.254 -3.088 -5.772 1.00 0.00 C ATOM 1064 O PHE A 69 2.665 -2.582 -6.723 1.00 0.00 O ATOM 1065 CB PHE A 69 1.870 -4.513 -4.246 1.00 0.00 C ATOM 1066 CG PHE A 69 1.663 -4.898 -2.811 1.00 0.00 C ATOM 1067 CD1 PHE A 69 2.719 -5.397 -2.066 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.435 -4.758 -2.204 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.554 -5.750 -0.748 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.263 -5.112 -0.880 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.324 -5.607 -0.152 1.00 0.00 C ATOM 0 H PHE A 69 0.723 -2.244 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 69 3.359 -3.140 -3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.901 -4.462 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.443 -5.295 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.688 -5.511 -2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.400 -4.368 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.388 -6.138 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.705 -5.001 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.189 -5.882 0.884 1.00 0.00 H new ATOM 1081 N THR A 70 4.465 -3.530 -5.861 1.00 0.00 N ATOM 1082 CA THR A 70 5.184 -3.414 -7.062 1.00 0.00 C ATOM 1083 C THR A 70 5.040 -4.665 -7.914 1.00 0.00 C ATOM 1084 O THR A 70 5.067 -5.807 -7.408 1.00 0.00 O ATOM 1085 CB THR A 70 6.657 -3.200 -6.772 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.806 -2.577 -5.500 1.00 0.00 O ATOM 1087 CG2 THR A 70 7.235 -2.286 -7.805 1.00 0.00 C ATOM 0 H THR A 70 4.973 -3.979 -5.099 1.00 0.00 H new ATOM 0 HA THR A 70 4.777 -2.561 -7.604 1.00 0.00 H new ATOM 0 HB THR A 70 7.167 -4.163 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.559 -1.951 -5.529 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.294 -2.129 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.118 -2.733 -8.792 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.714 -1.329 -7.776 1.00 0.00 H new ATOM 1095 N THR A 71 4.891 -4.448 -9.193 1.00 0.00 N ATOM 1096 CA THR A 71 4.836 -5.490 -10.154 1.00 0.00 C ATOM 1097 C THR A 71 6.288 -5.891 -10.547 1.00 0.00 C ATOM 1098 O THR A 71 6.516 -6.868 -11.271 1.00 0.00 O ATOM 1099 CB THR A 71 4.073 -4.956 -11.383 1.00 0.00 C ATOM 1100 OG1 THR A 71 2.897 -4.290 -10.924 1.00 0.00 O ATOM 1101 CG2 THR A 71 3.638 -6.068 -12.290 1.00 0.00 C ATOM 0 H THR A 71 4.803 -3.514 -9.595 1.00 0.00 H new ATOM 0 HA THR A 71 4.327 -6.369 -9.757 1.00 0.00 H new ATOM 0 HB THR A 71 4.737 -4.290 -11.934 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.131 -3.391 -10.611 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.104 -5.653 -13.144 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.513 -6.615 -12.640 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.980 -6.746 -11.745 1.00 0.00 H new ATOM 1109 N ASP A 72 7.273 -5.147 -10.013 1.00 0.00 N ATOM 1110 CA ASP A 72 8.655 -5.364 -10.333 1.00 0.00 C ATOM 1111 C ASP A 72 9.187 -6.482 -9.455 1.00 0.00 C ATOM 1112 O ASP A 72 9.072 -6.398 -8.245 1.00 0.00 O ATOM 1113 CB ASP A 72 9.434 -4.067 -10.120 1.00 0.00 C ATOM 1114 CG ASP A 72 10.897 -4.210 -10.394 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.278 -4.434 -11.566 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.681 -4.096 -9.456 1.00 0.00 O ATOM 0 H ASP A 72 7.112 -4.387 -9.352 1.00 0.00 H new ATOM 0 HA ASP A 72 8.769 -5.656 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.023 -3.293 -10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.294 -3.731 -9.093 1.00 0.00 H new ATOM 1121 N PRO A 73 9.753 -7.544 -10.071 1.00 0.00 N ATOM 1122 CA PRO A 73 10.197 -8.781 -9.395 1.00 0.00 C ATOM 1123 C PRO A 73 10.849 -8.619 -8.016 1.00 0.00 C ATOM 1124 O PRO A 73 10.484 -9.323 -7.063 1.00 0.00 O ATOM 1125 CB PRO A 73 11.184 -9.384 -10.384 1.00 0.00 C ATOM 1126 CG PRO A 73 10.709 -8.955 -11.709 1.00 0.00 C ATOM 1127 CD PRO A 73 10.002 -7.634 -11.528 1.00 0.00 C ATOM 0 HA PRO A 73 9.328 -9.395 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.198 -9.030 -10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 73 11.206 -10.471 -10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.544 -8.852 -12.401 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.033 -9.697 -12.133 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.616 -6.804 -11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.070 -7.602 -12.093 1.00 0.00 H new ATOM 1135 N ASN A 74 11.760 -7.703 -7.894 1.00 0.00 N ATOM 1136 CA ASN A 74 12.513 -7.556 -6.675 1.00 0.00 C ATOM 1137 C ASN A 74 11.828 -6.659 -5.646 1.00 0.00 C ATOM 1138 O ASN A 74 12.078 -6.794 -4.438 1.00 0.00 O ATOM 1139 CB ASN A 74 13.926 -7.045 -6.959 1.00 0.00 C ATOM 1140 CG ASN A 74 13.975 -5.661 -7.566 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.039 -4.655 -6.850 1.00 0.00 O ATOM 1142 ND2 ASN A 74 13.997 -5.596 -8.866 1.00 0.00 N ATOM 0 H ASN A 74 12.005 -7.038 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 74 12.571 -8.553 -6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.493 -7.041 -6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.424 -7.743 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.069 -4.691 -9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.942 -6.450 -9.420 1.00 0.00 H new ATOM 1149 N LYS A 75 10.951 -5.787 -6.080 1.00 0.00 N ATOM 1150 CA LYS A 75 10.354 -4.848 -5.170 1.00 0.00 C ATOM 1151 C LYS A 75 9.006 -5.352 -4.750 1.00 0.00 C ATOM 1152 O LYS A 75 8.178 -5.635 -5.588 1.00 0.00 O ATOM 1153 CB LYS A 75 10.203 -3.485 -5.829 1.00 0.00 C ATOM 1154 CG LYS A 75 10.237 -2.311 -4.836 1.00 0.00 C ATOM 1155 CD LYS A 75 11.439 -2.403 -3.886 1.00 0.00 C ATOM 1156 CE LYS A 75 11.569 -1.195 -2.963 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.009 0.030 -3.654 1.00 0.00 N ATOM 0 H LYS A 75 10.639 -5.710 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 75 11.000 -4.744 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.001 -3.354 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.261 -3.459 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.279 -1.371 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.315 -2.299 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.348 -3.306 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.352 -2.503 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.607 -1.008 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.278 -1.429 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.895 0.369 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.165 -0.177 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.277 0.763 -3.561 1.00 0.00 H new ATOM 1171 N ARG A 76 8.767 -5.430 -3.475 1.00 0.00 N ATOM 1172 CA ARG A 76 7.509 -5.979 -3.010 1.00 0.00 C ATOM 1173 C ARG A 76 6.470 -4.886 -3.013 1.00 0.00 C ATOM 1174 O ARG A 76 5.415 -5.019 -3.627 1.00 0.00 O ATOM 1175 CB ARG A 76 7.644 -6.605 -1.625 1.00 0.00 C ATOM 1176 CG ARG A 76 6.492 -7.526 -1.280 1.00 0.00 C ATOM 1177 CD ARG A 76 6.660 -8.177 0.078 1.00 0.00 C ATOM 1178 NE ARG A 76 5.629 -9.196 0.295 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.111 -9.565 1.472 1.00 0.00 C ATOM 1180 NH1 ARG A 76 5.560 -9.045 2.602 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.162 -10.480 1.510 1.00 0.00 N ATOM 0 H ARG A 76 9.408 -5.129 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 76 7.201 -6.778 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.578 -7.165 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.706 -5.813 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.561 -6.960 -1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.408 -8.300 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.648 -8.631 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.600 -7.420 0.860 1.00 0.00 H new ATOM 0 HE ARG A 76 5.271 -9.671 -0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.310 -8.354 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.156 -9.335 3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.826 -10.903 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.764 -10.765 2.405 1.00 0.00 H new ATOM 1195 N TRP A 77 6.789 -3.800 -2.360 1.00 0.00 N ATOM 1196 CA TRP A 77 5.934 -2.642 -2.355 1.00 0.00 C ATOM 1197 C TRP A 77 6.761 -1.410 -2.563 1.00 0.00 C ATOM 1198 O TRP A 77 7.988 -1.432 -2.387 1.00 0.00 O ATOM 1199 CB TRP A 77 5.075 -2.517 -1.079 1.00 0.00 C ATOM 1200 CG TRP A 77 5.851 -2.308 0.185 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.483 -3.250 0.928 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.057 -1.062 0.861 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.096 -2.661 2.002 1.00 0.00 N ATOM 1204 CE2 TRP A 77 6.847 -1.325 1.985 1.00 0.00 C ATOM 1205 CE3 TRP A 77 5.657 0.253 0.614 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.246 -0.331 2.867 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.050 1.238 1.488 1.00 0.00 C ATOM 1208 CH2 TRP A 77 6.839 0.943 2.604 1.00 0.00 C ATOM 0 H TRP A 77 7.646 -3.693 -1.818 1.00 0.00 H new ATOM 0 HA TRP A 77 5.227 -2.760 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.382 -1.685 -1.205 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.473 -3.420 -0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.500 -4.307 0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.652 -3.149 2.704 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.051 0.491 -0.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.856 -0.558 3.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.744 2.258 1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.132 1.740 3.271 1.00 0.00 H new ATOM 1219 N GLU A 78 6.099 -0.368 -2.907 1.00 0.00 N ATOM 1220 CA GLU A 78 6.709 0.893 -3.231 1.00 0.00 C ATOM 1221 C GLU A 78 5.818 2.026 -2.786 1.00 0.00 C ATOM 1222 O GLU A 78 4.586 1.917 -2.874 1.00 0.00 O ATOM 1223 CB GLU A 78 6.881 0.972 -4.737 1.00 0.00 C ATOM 1224 CG GLU A 78 8.267 0.690 -5.252 1.00 0.00 C ATOM 1225 CD GLU A 78 9.193 1.817 -4.958 1.00 0.00 C ATOM 1226 OE1 GLU A 78 9.090 2.855 -5.623 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.040 1.681 -4.066 1.00 0.00 O ATOM 0 H GLU A 78 5.081 -0.356 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 78 7.672 0.972 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.191 0.267 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.587 1.969 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.647 -0.224 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.230 0.518 -6.328 1.00 0.00 H new ATOM 1234 N TYR A 79 6.424 3.100 -2.307 1.00 0.00 N ATOM 1235 CA TYR A 79 5.698 4.295 -1.951 1.00 0.00 C ATOM 1236 C TYR A 79 5.143 4.939 -3.183 1.00 0.00 C ATOM 1237 O TYR A 79 5.703 4.805 -4.283 1.00 0.00 O ATOM 1238 CB TYR A 79 6.587 5.315 -1.236 1.00 0.00 C ATOM 1239 CG TYR A 79 6.727 5.128 0.250 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.826 5.732 1.115 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.758 4.381 0.793 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.949 5.600 2.478 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.884 4.239 2.156 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.976 4.853 2.993 1.00 0.00 C ATOM 1245 OH TYR A 79 7.095 4.713 4.358 1.00 0.00 O ATOM 0 H TYR A 79 7.431 3.162 -2.156 1.00 0.00 H new ATOM 0 HA TYR A 79 4.898 3.994 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.580 5.281 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.188 6.312 -1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.013 6.317 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.473 3.904 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.242 6.081 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.690 3.650 2.568 1.00 0.00 H new ATOM 0 HH TYR A 79 6.215 4.823 4.776 1.00 0.00 H new ATOM 1255 N CYS A 80 4.062 5.610 -3.031 1.00 0.00 N ATOM 1256 CA CYS A 80 3.493 6.320 -4.120 1.00 0.00 C ATOM 1257 C CYS A 80 3.648 7.799 -3.804 1.00 0.00 C ATOM 1258 O CYS A 80 3.546 8.202 -2.637 1.00 0.00 O ATOM 1259 CB CYS A 80 2.030 5.955 -4.248 1.00 0.00 C ATOM 1260 SG CYS A 80 1.300 6.242 -5.883 1.00 0.00 S ATOM 0 H CYS A 80 3.547 5.684 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 80 3.984 6.075 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.912 4.901 -3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.464 6.525 -3.511 1.00 0.00 H new ATOM 1265 N ASP A 81 3.905 8.603 -4.796 1.00 0.00 N ATOM 1266 CA ASP A 81 4.102 10.021 -4.545 1.00 0.00 C ATOM 1267 C ASP A 81 2.787 10.718 -4.706 1.00 0.00 C ATOM 1268 O ASP A 81 2.392 11.109 -5.804 1.00 0.00 O ATOM 1269 CB ASP A 81 5.172 10.653 -5.443 1.00 0.00 C ATOM 1270 CG ASP A 81 5.505 12.072 -5.003 1.00 0.00 C ATOM 1271 OD1 ASP A 81 6.366 12.238 -4.121 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.901 13.044 -5.511 1.00 0.00 O ATOM 0 H ASP A 81 3.984 8.318 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 81 4.474 10.136 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.075 10.043 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.822 10.664 -6.475 1.00 0.00 H new ATOM 1277 N ILE A 82 2.067 10.767 -3.636 1.00 0.00 N ATOM 1278 CA ILE A 82 0.754 11.316 -3.631 1.00 0.00 C ATOM 1279 C ILE A 82 0.791 12.793 -3.286 1.00 0.00 C ATOM 1280 O ILE A 82 1.515 13.192 -2.365 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.110 10.584 -2.578 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.046 9.072 -2.798 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.558 11.065 -2.616 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.642 8.599 -4.109 1.00 0.00 C ATOM 0 H ILE A 82 2.379 10.422 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 82 0.327 11.190 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 82 0.294 10.816 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.996 8.755 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.566 8.576 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.139 10.531 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.592 12.135 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.979 10.874 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.553 7.515 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.694 8.880 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.108 9.062 -4.939 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.574 -4.547 13.038 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.431 -4.912 13.857 1.00 0.00 C ATOM 1496 C ALA B 108 -3.525 -5.880 13.086 1.00 0.00 C ATOM 1497 O ALA B 108 -2.296 -5.801 13.166 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.886 -5.531 15.166 1.00 0.00 C ATOM 0 HA ALA B 108 -3.864 -4.011 14.090 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -4.015 -5.797 15.765 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -5.498 -4.814 15.714 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.473 -6.426 14.961 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.142 -6.779 12.334 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.420 -7.733 11.499 1.00 0.00 C ATOM 1506 C GLU B 109 -2.628 -6.994 10.411 1.00 0.00 C ATOM 1507 O GLU B 109 -1.438 -7.263 10.187 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.396 -8.754 10.872 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.730 -9.744 9.927 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.664 -10.814 9.408 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.374 -10.594 8.387 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.677 -11.924 9.969 1.00 0.00 O ATOM 0 H GLU B 109 -5.157 -6.869 12.284 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.715 -8.281 12.125 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.891 -9.306 11.671 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.172 -8.214 10.329 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.311 -9.199 9.081 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.897 -10.221 10.443 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.270 -6.017 9.787 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.665 -5.250 8.719 1.00 0.00 C ATOM 1521 C LEU B 110 -1.491 -4.437 9.222 1.00 0.00 C ATOM 1522 O LEU B 110 -0.564 -4.120 8.472 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.739 -4.414 8.008 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.396 -3.205 8.706 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -3.501 -2.016 8.729 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -5.698 -2.846 8.025 1.00 0.00 C ATOM 0 H LEU B 110 -4.225 -5.737 10.010 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.245 -5.926 7.974 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.296 -4.046 7.082 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -4.542 -5.096 7.729 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.589 -3.499 9.738 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -4.006 -1.190 9.230 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -2.585 -2.261 9.266 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -3.256 -1.725 7.707 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -6.149 -1.991 8.529 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -5.505 -2.592 6.983 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -6.379 -3.696 8.072 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.551 -4.108 10.483 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.463 -3.417 11.176 1.00 0.00 C ATOM 1540 C GLN B 111 0.801 -4.283 11.233 1.00 0.00 C ATOM 1541 O GLN B 111 1.908 -3.796 10.999 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.885 -2.993 12.577 1.00 0.00 C ATOM 1543 CG GLN B 111 0.224 -2.352 13.390 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.242 -1.891 14.745 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -1.400 -1.525 14.920 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.625 -1.904 15.706 1.00 0.00 N ATOM 0 H GLN B 111 -2.357 -4.307 11.076 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.231 -2.519 10.604 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.715 -2.291 12.498 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.256 -3.867 13.113 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.038 -3.066 13.514 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.627 -1.502 12.840 1.00 0.00 H new ATOM 0 HE21 GLN B 111 1.580 -2.214 15.527 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.353 -1.604 16.642 1.00 0.00 H new ATOM 1555 N ARG B 112 0.637 -5.558 11.513 1.00 0.00 N ATOM 1556 CA ARG B 112 1.775 -6.480 11.549 1.00 0.00 C ATOM 1557 C ARG B 112 2.290 -6.666 10.157 1.00 0.00 C ATOM 1558 O ARG B 112 3.481 -6.723 9.932 1.00 0.00 O ATOM 1559 CB ARG B 112 1.368 -7.813 12.113 1.00 0.00 C ATOM 1560 CG ARG B 112 2.523 -8.760 12.336 1.00 0.00 C ATOM 1561 CD ARG B 112 3.534 -8.141 13.237 1.00 0.00 C ATOM 1562 NE ARG B 112 4.665 -9.015 13.531 1.00 0.00 N ATOM 1563 CZ ARG B 112 5.632 -8.741 14.414 1.00 0.00 C ATOM 1564 NH1 ARG B 112 5.602 -7.607 15.102 1.00 0.00 N ATOM 1565 NH2 ARG B 112 6.633 -9.594 14.595 1.00 0.00 N ATOM 0 H ARG B 112 -0.265 -5.988 11.720 1.00 0.00 H new ATOM 0 HA ARG B 112 2.551 -6.059 12.189 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.853 -7.654 13.060 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.653 -8.280 11.436 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.160 -9.691 12.771 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.984 -9.013 11.381 1.00 0.00 H new ATOM 0 HD2 ARG B 112 3.904 -7.223 12.779 1.00 0.00 H new ATOM 0 HD3 ARG B 112 3.051 -7.858 14.172 1.00 0.00 H new ATOM 0 HE ARG B 112 4.722 -9.900 13.026 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.841 -6.943 14.958 1.00 0.00 H new ATOM 0 HH12 ARG B 112 6.340 -7.399 15.775 1.00 0.00 H new ATOM 0 HH21 ARG B 112 6.667 -10.462 14.060 1.00 0.00 H new ATOM 0 HH22 ARG B 112 7.368 -9.382 15.269 1.00 0.00 H new ATOM 1579 N LEU B 113 1.380 -6.744 9.229 1.00 0.00 N ATOM 1580 CA LEU B 113 1.737 -6.813 7.816 1.00 0.00 C ATOM 1581 C LEU B 113 2.496 -5.538 7.398 1.00 0.00 C ATOM 1582 O LEU B 113 3.363 -5.577 6.516 1.00 0.00 O ATOM 1583 CB LEU B 113 0.496 -7.001 6.949 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.347 -8.246 7.219 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.580 -8.235 6.344 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.459 -9.509 6.968 1.00 0.00 C ATOM 0 H LEU B 113 0.377 -6.762 9.413 1.00 0.00 H new ATOM 0 HA LEU B 113 2.387 -7.676 7.668 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.141 -6.125 7.072 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.810 -7.022 5.905 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.650 -8.236 8.266 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.175 -9.126 6.543 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.173 -7.347 6.562 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.282 -8.224 5.296 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.162 -10.382 7.167 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.791 -9.528 5.930 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.327 -9.524 7.627 1.00 0.00 H new ATOM 1598 N LYS B 114 2.171 -4.409 8.045 1.00 0.00 N ATOM 1599 CA LYS B 114 2.876 -3.164 7.816 1.00 0.00 C ATOM 1600 C LYS B 114 4.278 -3.339 8.291 1.00 0.00 C ATOM 1601 O LYS B 114 5.206 -3.056 7.576 1.00 0.00 O ATOM 1602 CB LYS B 114 2.237 -1.986 8.567 1.00 0.00 C ATOM 1603 CG LYS B 114 2.882 -0.637 8.224 1.00 0.00 C ATOM 1604 CD LYS B 114 2.324 0.554 9.008 1.00 0.00 C ATOM 1605 CE LYS B 114 2.869 0.631 10.409 1.00 0.00 C ATOM 1606 NZ LYS B 114 2.360 1.816 11.137 1.00 0.00 N ATOM 0 H LYS B 114 1.419 -4.345 8.732 1.00 0.00 H new ATOM 0 HA LYS B 114 2.834 -2.933 6.752 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.174 -1.945 8.330 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.318 -2.159 9.640 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.954 -0.705 8.407 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.751 -0.447 7.159 1.00 0.00 H new ATOM 0 HD2 LYS B 114 2.562 1.476 8.478 1.00 0.00 H new ATOM 0 HD3 LYS B 114 1.237 0.481 9.048 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.598 -0.273 10.954 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.958 0.667 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 2.759 1.832 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 2.640 2.681 10.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 1.323 1.769 11.194 1.00 0.00 H new ATOM 1620 N ASN B 115 4.393 -3.858 9.495 1.00 0.00 N ATOM 1621 CA ASN B 115 5.671 -4.145 10.151 1.00 0.00 C ATOM 1622 C ASN B 115 6.509 -5.076 9.269 1.00 0.00 C ATOM 1623 O ASN B 115 7.663 -4.797 9.001 1.00 0.00 O ATOM 1624 CB ASN B 115 5.405 -4.788 11.550 1.00 0.00 C ATOM 1625 CG ASN B 115 5.021 -3.824 12.684 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.359 -4.063 13.843 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.272 -2.791 12.397 1.00 0.00 N ATOM 0 H ASN B 115 3.585 -4.102 10.068 1.00 0.00 H new ATOM 0 HA ASN B 115 6.228 -3.219 10.295 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.607 -5.523 11.442 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.300 -5.331 11.852 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.958 -2.167 13.140 1.00 0.00 H new ATOM 0 HD22 ASN B 115 4.002 -2.609 11.430 1.00 0.00 H new ATOM 1634 N GLU B 116 5.871 -6.123 8.769 1.00 0.00 N ATOM 1635 CA GLU B 116 6.475 -7.122 7.881 1.00 0.00 C ATOM 1636 C GLU B 116 7.062 -6.459 6.658 1.00 0.00 C ATOM 1637 O GLU B 116 8.245 -6.588 6.364 1.00 0.00 O ATOM 1638 CB GLU B 116 5.399 -8.122 7.434 1.00 0.00 C ATOM 1639 CG GLU B 116 5.887 -9.110 6.396 1.00 0.00 C ATOM 1640 CD GLU B 116 4.811 -10.026 5.873 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.554 -11.088 6.483 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.233 -9.718 4.804 1.00 0.00 O ATOM 0 H GLU B 116 4.890 -6.313 8.972 1.00 0.00 H new ATOM 0 HA GLU B 116 7.268 -7.636 8.424 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.039 -8.670 8.305 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.549 -7.572 7.030 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.320 -8.560 5.561 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.685 -9.713 6.829 1.00 0.00 H new ATOM 1649 N ARG B 117 6.215 -5.785 5.937 1.00 0.00 N ATOM 1650 CA ARG B 117 6.611 -5.058 4.749 1.00 0.00 C ATOM 1651 C ARG B 117 7.609 -3.967 5.053 1.00 0.00 C ATOM 1652 O ARG B 117 8.425 -3.624 4.217 1.00 0.00 O ATOM 1653 CB ARG B 117 5.449 -4.420 4.085 1.00 0.00 C ATOM 1654 CG ARG B 117 4.447 -5.338 3.465 1.00 0.00 C ATOM 1655 CD ARG B 117 3.384 -4.490 2.818 1.00 0.00 C ATOM 1656 NE ARG B 117 2.707 -3.662 3.819 1.00 0.00 N ATOM 1657 CZ ARG B 117 2.834 -2.356 4.005 1.00 0.00 C ATOM 1658 NH1 ARG B 117 3.670 -1.616 3.271 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.109 -1.801 4.918 1.00 0.00 N ATOM 0 H ARG B 117 5.220 -5.719 6.152 1.00 0.00 H new ATOM 0 HA ARG B 117 7.064 -5.802 4.093 1.00 0.00 H new ATOM 0 HB2 ARG B 117 4.935 -3.800 4.819 1.00 0.00 H new ATOM 0 HB3 ARG B 117 5.824 -3.751 3.310 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.924 -5.982 2.726 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.008 -5.990 4.220 1.00 0.00 H new ATOM 0 HD2 ARG B 117 3.833 -3.854 2.055 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.658 -5.128 2.314 1.00 0.00 H new ATOM 0 HE ARG B 117 2.064 -4.146 4.445 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.234 -2.054 2.543 1.00 0.00 H new ATOM 0 HH12 ARG B 117 3.745 -0.613 3.439 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.463 -2.366 5.470 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.182 -0.798 5.087 1.00 0.00 H new ATOM 1673 N HIS B 118 7.499 -3.382 6.210 1.00 0.00 N ATOM 1674 CA HIS B 118 8.426 -2.359 6.634 1.00 0.00 C ATOM 1675 C HIS B 118 9.782 -2.967 6.858 1.00 0.00 C ATOM 1676 O HIS B 118 10.795 -2.386 6.484 1.00 0.00 O ATOM 1677 CB HIS B 118 7.865 -1.567 7.828 1.00 0.00 C ATOM 1678 CG HIS B 118 6.887 -0.487 7.402 1.00 0.00 C ATOM 1679 ND1 HIS B 118 6.227 -0.507 6.183 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.461 0.645 8.016 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.456 0.552 6.082 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.580 1.253 7.170 1.00 0.00 N ATOM 0 H HIS B 118 6.768 -3.596 6.889 1.00 0.00 H new ATOM 0 HA HIS B 118 8.556 -1.615 5.848 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.367 -2.253 8.513 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.689 -1.111 8.376 1.00 0.00 H new ATOM 0 HD2 HIS B 118 6.762 0.998 8.991 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.827 0.798 5.239 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.091 2.127 7.362 1.00 0.00 H new ATOM 1691 N GLU B 119 9.789 -4.184 7.379 1.00 0.00 N ATOM 1692 CA GLU B 119 10.994 -4.951 7.462 1.00 0.00 C ATOM 1693 C GLU B 119 11.469 -5.307 6.053 1.00 0.00 C ATOM 1694 O GLU B 119 12.603 -5.124 5.755 1.00 0.00 O ATOM 1695 CB GLU B 119 10.822 -6.186 8.358 1.00 0.00 C ATOM 1696 CG GLU B 119 10.625 -5.829 9.798 1.00 0.00 C ATOM 1697 CD GLU B 119 10.451 -7.015 10.707 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.320 -7.522 10.853 1.00 0.00 O ATOM 1699 OE2 GLU B 119 11.442 -7.450 11.334 1.00 0.00 O ATOM 0 H GLU B 119 8.962 -4.652 7.749 1.00 0.00 H new ATOM 0 HA GLU B 119 11.768 -4.349 7.938 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.967 -6.766 8.011 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.700 -6.825 8.263 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.482 -5.247 10.137 1.00 0.00 H new ATOM 0 HG3 GLU B 119 9.749 -5.186 9.885 1.00 0.00 H new ATOM 1706 N GLU B 120 10.553 -5.740 5.181 1.00 0.00 N ATOM 1707 CA GLU B 120 10.861 -6.049 3.749 1.00 0.00 C ATOM 1708 C GLU B 120 11.576 -4.890 3.065 1.00 0.00 C ATOM 1709 O GLU B 120 12.491 -5.100 2.276 1.00 0.00 O ATOM 1710 CB GLU B 120 9.580 -6.329 2.948 1.00 0.00 C ATOM 1711 CG GLU B 120 8.876 -7.623 3.266 1.00 0.00 C ATOM 1712 CD GLU B 120 9.689 -8.809 2.856 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.659 -9.174 1.676 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.366 -9.388 3.700 1.00 0.00 O ATOM 0 H GLU B 120 9.576 -5.891 5.430 1.00 0.00 H new ATOM 0 HA GLU B 120 11.502 -6.931 3.764 1.00 0.00 H new ATOM 0 HB2 GLU B 120 8.883 -5.508 3.115 1.00 0.00 H new ATOM 0 HB3 GLU B 120 9.829 -6.324 1.887 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.672 -7.673 4.336 1.00 0.00 H new ATOM 0 HG3 GLU B 120 7.913 -7.648 2.757 1.00 0.00 H new ATOM 1721 N ALA B 121 11.134 -3.688 3.361 1.00 0.00 N ATOM 1722 CA ALA B 121 11.705 -2.494 2.784 1.00 0.00 C ATOM 1723 C ALA B 121 13.110 -2.287 3.289 1.00 0.00 C ATOM 1724 O ALA B 121 14.042 -2.152 2.493 1.00 0.00 O ATOM 1725 CB ALA B 121 10.837 -1.281 3.073 1.00 0.00 C ATOM 0 H ALA B 121 10.367 -3.512 4.010 1.00 0.00 H new ATOM 0 HA ALA B 121 11.746 -2.621 1.702 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.290 -0.395 2.627 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.845 -1.434 2.648 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.753 -1.142 4.151 1.00 0.00 H new