USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 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 35 GLN : amide:sc= 0.847 K(o=1.5,f=-10!) USER MOD Set 1.2: A 40 HIS : no HD1:sc= 0.637 K(o=1.5,f=-2.7!) USER MOD Set 2.1: A 34 SER OG : rot -118:sc= 1.34 USER MOD Set 2.2: A 36 SER OG : rot 16:sc= 0.28 USER MOD Set 3.1: A 30 GLN : amide:sc= 0.683 K(o=-0.89,f=-10!) USER MOD Set 3.2: A 38 HIS : no HE2:sc= -1.58 K(o=-0.89,f=-1.8) USER MOD Set 4.1: A 23 THR OG1 : rot 160:sc= 1.14 USER MOD Set 4.2: A 25 SER OG : rot -92:sc= 0.257 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0.002) USER MOD Single : A 16 TYR OH : rot 60:sc= 0.084 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0765) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= 0.795 (180deg=0.608) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 172:sc= 2.24 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 1.16 (180deg=1.05) USER MOD Single : A 49 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 51 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -2.02! C(o=-3.4!,f=-2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.962 K(o=0.96,f=-13!) USER MOD Single : A 70 THR OG1 : rot 98:sc= 0.694 USER MOD Single : A 71 THR OG1 : rot -38:sc= 0.0657 USER MOD Single : A 74 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 1.27 (180deg=0.975) USER MOD Single : A 79 TYR OH : rot 29:sc= 1.25 USER MOD Single : B 111 GLN : amide:sc= -2.36! C(o=-2.4!,f=-5.1!) USER MOD Single : B 114 LYS NZ :NH3+ 170:sc= 2.25 (180deg=1.96) USER MOD Single : B 115 ASN : amide:sc= -3.67! C(o=-3.7!,f=-5!) USER MOD Single : B 118 HIS : +bothHN:sc= -0.959 K(o=-0.96,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.005 9.935 3.372 1.00 0.00 N ATOM 180 CA GLY A 13 -3.543 9.393 2.154 1.00 0.00 C ATOM 181 C GLY A 13 -4.369 8.152 2.371 1.00 0.00 C ATOM 182 O GLY A 13 -4.602 7.378 1.443 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.158 10.150 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.723 9.162 1.474 1.00 0.00 H new ATOM 186 N GLU A 14 -4.810 7.962 3.583 1.00 0.00 N ATOM 187 CA GLU A 14 -5.661 6.844 3.916 1.00 0.00 C ATOM 188 C GLU A 14 -7.063 7.108 3.356 1.00 0.00 C ATOM 189 O GLU A 14 -7.834 6.188 3.059 1.00 0.00 O ATOM 190 CB GLU A 14 -5.723 6.665 5.433 1.00 0.00 C ATOM 191 CG GLU A 14 -6.550 5.476 5.866 1.00 0.00 C ATOM 192 CD GLU A 14 -6.774 5.427 7.337 1.00 0.00 C ATOM 193 OE1 GLU A 14 -7.263 6.424 7.906 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.509 4.387 7.956 1.00 0.00 O ATOM 0 H GLU A 14 -4.593 8.574 4.370 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.258 5.930 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.710 6.553 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.137 7.568 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.514 5.507 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.052 4.560 5.549 1.00 0.00 H new ATOM 201 N ASN A 15 -7.371 8.377 3.194 1.00 0.00 N ATOM 202 CA ASN A 15 -8.662 8.800 2.680 1.00 0.00 C ATOM 203 C ASN A 15 -8.544 9.062 1.163 1.00 0.00 C ATOM 204 O ASN A 15 -9.411 9.660 0.545 1.00 0.00 O ATOM 205 CB ASN A 15 -9.087 10.082 3.421 1.00 0.00 C ATOM 206 CG ASN A 15 -10.580 10.350 3.421 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.131 11.000 2.527 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.241 9.891 4.450 1.00 0.00 N ATOM 0 H ASN A 15 -6.737 9.145 3.414 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.413 8.026 2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.743 10.019 4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.579 10.933 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.242 10.066 4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.756 9.357 5.171 1.00 0.00 H new ATOM 215 N TYR A 16 -7.465 8.587 0.565 1.00 0.00 N ATOM 216 CA TYR A 16 -7.227 8.795 -0.853 1.00 0.00 C ATOM 217 C TYR A 16 -8.041 7.805 -1.695 1.00 0.00 C ATOM 218 O TYR A 16 -7.802 6.599 -1.662 1.00 0.00 O ATOM 219 CB TYR A 16 -5.720 8.700 -1.175 1.00 0.00 C ATOM 220 CG TYR A 16 -5.386 8.859 -2.640 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.385 10.105 -3.243 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.099 7.756 -3.422 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.103 10.247 -4.582 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.824 7.885 -4.761 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.824 9.137 -5.339 1.00 0.00 C ATOM 226 OH TYR A 16 -4.583 9.269 -6.688 1.00 0.00 O ATOM 0 H TYR A 16 -6.738 8.053 1.041 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.560 9.800 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.190 9.466 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.347 7.735 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.609 10.981 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.091 6.775 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.101 11.227 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.609 7.011 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.808 9.852 -6.826 1.00 0.00 H new ATOM 236 N ASP A 17 -8.993 8.331 -2.441 1.00 0.00 N ATOM 237 CA ASP A 17 -9.880 7.528 -3.293 1.00 0.00 C ATOM 238 C ASP A 17 -9.504 7.700 -4.780 1.00 0.00 C ATOM 239 O ASP A 17 -10.100 7.086 -5.682 1.00 0.00 O ATOM 240 CB ASP A 17 -11.351 7.937 -3.026 1.00 0.00 C ATOM 241 CG ASP A 17 -12.374 7.245 -3.905 1.00 0.00 C ATOM 242 OD1 ASP A 17 -12.629 6.036 -3.715 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.970 7.919 -4.785 1.00 0.00 O ATOM 0 H ASP A 17 -9.182 9.332 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.764 6.472 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.588 7.727 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.444 9.014 -3.163 1.00 0.00 H new ATOM 248 N GLY A 18 -8.452 8.461 -5.015 1.00 0.00 N ATOM 249 CA GLY A 18 -8.009 8.773 -6.370 1.00 0.00 C ATOM 250 C GLY A 18 -7.457 7.567 -7.138 1.00 0.00 C ATOM 251 O GLY A 18 -7.299 6.466 -6.575 1.00 0.00 O ATOM 0 H GLY A 18 -7.881 8.880 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.846 9.194 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.239 9.543 -6.321 1.00 0.00 H new ATOM 255 N LYS A 19 -7.138 7.780 -8.395 1.00 0.00 N ATOM 256 CA LYS A 19 -6.766 6.703 -9.297 1.00 0.00 C ATOM 257 C LYS A 19 -5.286 6.695 -9.690 1.00 0.00 C ATOM 258 O LYS A 19 -4.959 6.293 -10.812 1.00 0.00 O ATOM 259 CB LYS A 19 -7.605 6.777 -10.574 1.00 0.00 C ATOM 260 CG LYS A 19 -9.094 6.755 -10.345 1.00 0.00 C ATOM 261 CD LYS A 19 -9.843 6.519 -11.652 1.00 0.00 C ATOM 262 CE LYS A 19 -11.348 6.452 -11.444 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.906 7.726 -10.950 1.00 0.00 N ATOM 0 H LYS A 19 -7.128 8.705 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.956 5.783 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.346 7.689 -11.111 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.337 5.940 -11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.344 5.970 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.412 7.700 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.610 7.320 -12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.498 5.589 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.830 6.188 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.579 5.658 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.945 7.674 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.571 7.899 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.596 8.503 -11.568 1.00 0.00 H new ATOM 277 N ILE A 20 -4.388 7.123 -8.822 1.00 0.00 N ATOM 278 CA ILE A 20 -2.982 6.984 -9.161 1.00 0.00 C ATOM 279 C ILE A 20 -2.612 5.505 -9.036 1.00 0.00 C ATOM 280 O ILE A 20 -3.069 4.824 -8.110 1.00 0.00 O ATOM 281 CB ILE A 20 -2.045 7.877 -8.302 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.636 7.912 -8.902 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.006 7.410 -6.863 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.324 8.854 -8.201 1.00 0.00 C ATOM 0 H ILE A 20 -4.590 7.550 -7.918 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.838 7.333 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.448 8.890 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.220 6.905 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.709 8.202 -9.950 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.342 8.056 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.009 7.453 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.639 6.384 -6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.296 8.814 -8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.065 9.871 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.432 8.554 -7.159 1.00 0.00 H new ATOM 296 N SER A 21 -1.857 5.002 -9.966 1.00 0.00 N ATOM 297 CA SER A 21 -1.592 3.592 -9.995 1.00 0.00 C ATOM 298 C SER A 21 -0.122 3.270 -10.293 1.00 0.00 C ATOM 299 O SER A 21 0.235 2.124 -10.616 1.00 0.00 O ATOM 300 CB SER A 21 -2.513 2.990 -11.035 1.00 0.00 C ATOM 301 OG SER A 21 -2.353 3.636 -12.302 1.00 0.00 O ATOM 0 H SER A 21 -1.415 5.541 -10.711 1.00 0.00 H new ATOM 0 HA SER A 21 -1.781 3.163 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.304 1.925 -11.137 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.548 3.081 -10.705 1.00 0.00 H new ATOM 0 HG SER A 21 -2.958 3.227 -12.956 1.00 0.00 H new ATOM 307 N LYS A 22 0.720 4.266 -10.166 1.00 0.00 N ATOM 308 CA LYS A 22 2.139 4.114 -10.399 1.00 0.00 C ATOM 309 C LYS A 22 2.858 4.608 -9.177 1.00 0.00 C ATOM 310 O LYS A 22 2.411 5.571 -8.561 1.00 0.00 O ATOM 311 CB LYS A 22 2.582 4.872 -11.653 1.00 0.00 C ATOM 312 CG LYS A 22 1.938 4.354 -12.929 1.00 0.00 C ATOM 313 CD LYS A 22 2.427 5.100 -14.151 1.00 0.00 C ATOM 314 CE LYS A 22 1.773 4.572 -15.420 1.00 0.00 C ATOM 315 NZ LYS A 22 2.072 3.151 -15.665 1.00 0.00 N ATOM 0 H LYS A 22 0.441 5.210 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 22 2.379 3.065 -10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.340 5.928 -11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.666 4.802 -11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.156 3.292 -13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.855 4.451 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.209 6.163 -14.042 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.510 5.003 -14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.693 4.705 -15.350 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.112 5.162 -16.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.923 2.933 -16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.062 2.956 -15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.443 2.559 -15.086 1.00 0.00 H new ATOM 329 N THR A 23 3.972 3.997 -8.837 1.00 0.00 N ATOM 330 CA THR A 23 4.607 4.269 -7.568 1.00 0.00 C ATOM 331 C THR A 23 5.416 5.561 -7.607 1.00 0.00 C ATOM 332 O THR A 23 5.371 6.301 -8.587 1.00 0.00 O ATOM 333 CB THR A 23 5.507 3.098 -7.166 1.00 0.00 C ATOM 334 OG1 THR A 23 6.492 2.885 -8.183 1.00 0.00 O ATOM 335 CG2 THR A 23 4.684 1.829 -6.976 1.00 0.00 C ATOM 0 H THR A 23 4.454 3.312 -9.419 1.00 0.00 H new ATOM 0 HA THR A 23 3.820 4.392 -6.824 1.00 0.00 H new ATOM 0 HB THR A 23 5.996 3.339 -6.222 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.243 2.379 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.342 1.008 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.943 1.990 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.178 1.581 -7.909 1.00 0.00 H new ATOM 343 N MET A 24 6.149 5.830 -6.543 1.00 0.00 N ATOM 344 CA MET A 24 6.979 7.009 -6.445 1.00 0.00 C ATOM 345 C MET A 24 8.093 7.008 -7.497 1.00 0.00 C ATOM 346 O MET A 24 8.558 8.065 -7.904 1.00 0.00 O ATOM 347 CB MET A 24 7.548 7.154 -5.028 1.00 0.00 C ATOM 348 CG MET A 24 8.463 6.037 -4.588 1.00 0.00 C ATOM 349 SD MET A 24 9.061 6.250 -2.901 1.00 0.00 S ATOM 350 CE MET A 24 10.121 4.813 -2.741 1.00 0.00 C ATOM 0 H MET A 24 6.183 5.231 -5.718 1.00 0.00 H new ATOM 0 HA MET A 24 6.350 7.876 -6.648 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.094 8.095 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.718 7.221 -4.325 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.933 5.088 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.314 5.982 -5.266 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.569 4.800 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.531 3.908 -2.885 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.909 4.856 -3.493 1.00 0.00 H new ATOM 360 N SER A 25 8.512 5.826 -7.941 1.00 0.00 N ATOM 361 CA SER A 25 9.497 5.737 -8.977 1.00 0.00 C ATOM 362 C SER A 25 8.786 5.696 -10.339 1.00 0.00 C ATOM 363 O SER A 25 9.380 5.972 -11.396 1.00 0.00 O ATOM 364 CB SER A 25 10.331 4.483 -8.772 1.00 0.00 C ATOM 365 OG SER A 25 9.506 3.340 -8.809 1.00 0.00 O ATOM 0 H SER A 25 8.177 4.928 -7.591 1.00 0.00 H new ATOM 0 HA SER A 25 10.157 6.604 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.095 4.415 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.851 4.535 -7.815 1.00 0.00 H new ATOM 0 HG SER A 25 9.218 3.115 -7.900 1.00 0.00 H new ATOM 371 N GLY A 26 7.504 5.375 -10.288 1.00 0.00 N ATOM 372 CA GLY A 26 6.687 5.296 -11.459 1.00 0.00 C ATOM 373 C GLY A 26 6.553 3.892 -11.960 1.00 0.00 C ATOM 374 O GLY A 26 6.283 3.668 -13.151 1.00 0.00 O ATOM 0 H GLY A 26 7.010 5.163 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.698 5.697 -11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.116 5.920 -12.243 1.00 0.00 H new ATOM 378 N LEU A 27 6.754 2.942 -11.076 1.00 0.00 N ATOM 379 CA LEU A 27 6.560 1.563 -11.401 1.00 0.00 C ATOM 380 C LEU A 27 5.088 1.278 -11.438 1.00 0.00 C ATOM 381 O LEU A 27 4.293 2.019 -10.862 1.00 0.00 O ATOM 382 CB LEU A 27 7.225 0.656 -10.377 1.00 0.00 C ATOM 383 CG LEU A 27 8.761 0.646 -10.356 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.280 -0.169 -9.185 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.292 0.061 -11.642 1.00 0.00 C ATOM 0 H LEU A 27 7.056 3.111 -10.116 1.00 0.00 H new ATOM 0 HA LEU A 27 7.013 1.366 -12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.873 0.946 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.881 -0.363 -10.551 1.00 0.00 H new ATOM 0 HG LEU A 27 9.104 1.675 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.370 -0.161 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.919 0.264 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.924 -1.196 -9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.382 0.058 -11.618 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.929 -0.961 -11.754 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.949 0.662 -12.484 1.00 0.00 H new ATOM 397 N GLU A 28 4.737 0.230 -12.088 1.00 0.00 N ATOM 398 CA GLU A 28 3.363 -0.131 -12.242 1.00 0.00 C ATOM 399 C GLU A 28 2.926 -0.875 -10.984 1.00 0.00 C ATOM 400 O GLU A 28 3.634 -1.803 -10.513 1.00 0.00 O ATOM 401 CB GLU A 28 3.192 -1.023 -13.475 1.00 0.00 C ATOM 402 CG GLU A 28 1.778 -1.069 -14.017 1.00 0.00 C ATOM 403 CD GLU A 28 1.389 0.233 -14.670 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.154 1.231 -13.975 1.00 0.00 O ATOM 405 OE2 GLU A 28 1.341 0.303 -15.918 1.00 0.00 O ATOM 0 H GLU A 28 5.394 -0.410 -12.534 1.00 0.00 H new ATOM 0 HA GLU A 28 2.750 0.759 -12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.859 -0.669 -14.261 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.506 -2.036 -13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.692 -1.879 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.084 -1.291 -13.206 1.00 0.00 H new ATOM 412 N CYS A 29 1.827 -0.464 -10.411 1.00 0.00 N ATOM 413 CA CYS A 29 1.341 -1.102 -9.217 1.00 0.00 C ATOM 414 C CYS A 29 0.615 -2.398 -9.507 1.00 0.00 C ATOM 415 O CYS A 29 -0.033 -2.567 -10.552 1.00 0.00 O ATOM 416 CB CYS A 29 0.492 -0.155 -8.357 1.00 0.00 C ATOM 417 SG CYS A 29 -0.356 -0.944 -6.945 1.00 0.00 S ATOM 0 H CYS A 29 1.252 0.308 -10.750 1.00 0.00 H new ATOM 0 HA CYS A 29 2.223 -1.361 -8.631 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.134 0.640 -7.978 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.257 0.316 -8.994 1.00 0.00 H new ATOM 422 N GLN A 30 0.766 -3.306 -8.592 1.00 0.00 N ATOM 423 CA GLN A 30 0.128 -4.584 -8.617 1.00 0.00 C ATOM 424 C GLN A 30 -1.222 -4.441 -7.939 1.00 0.00 C ATOM 425 O GLN A 30 -1.305 -3.894 -6.841 1.00 0.00 O ATOM 426 CB GLN A 30 0.969 -5.622 -7.860 1.00 0.00 C ATOM 427 CG GLN A 30 0.289 -6.980 -7.731 1.00 0.00 C ATOM 428 CD GLN A 30 1.054 -7.964 -6.878 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.289 -7.941 -6.806 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.336 -8.830 -6.215 1.00 0.00 N ATOM 0 H GLN A 30 1.361 -3.170 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 30 0.015 -4.921 -9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.922 -5.749 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.192 -5.240 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.705 -6.840 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.153 -7.404 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.681 -8.820 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.792 -9.517 -5.614 1.00 0.00 H new ATOM 439 N ALA A 31 -2.255 -4.924 -8.587 1.00 0.00 N ATOM 440 CA ALA A 31 -3.601 -4.854 -8.076 1.00 0.00 C ATOM 441 C ALA A 31 -3.716 -5.528 -6.725 1.00 0.00 C ATOM 442 O ALA A 31 -3.157 -6.610 -6.499 1.00 0.00 O ATOM 443 CB ALA A 31 -4.571 -5.487 -9.062 1.00 0.00 C ATOM 0 H ALA A 31 -2.182 -5.382 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.856 -3.802 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.584 -5.428 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.522 -4.955 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.302 -6.532 -9.217 1.00 0.00 H new ATOM 449 N TRP A 32 -4.447 -4.891 -5.837 1.00 0.00 N ATOM 450 CA TRP A 32 -4.670 -5.377 -4.488 1.00 0.00 C ATOM 451 C TRP A 32 -5.422 -6.704 -4.519 1.00 0.00 C ATOM 452 O TRP A 32 -5.281 -7.549 -3.628 1.00 0.00 O ATOM 453 CB TRP A 32 -5.477 -4.360 -3.701 1.00 0.00 C ATOM 454 CG TRP A 32 -4.853 -3.000 -3.619 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.259 -1.877 -4.267 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.713 -2.618 -2.841 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.458 -0.828 -3.931 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.500 -1.250 -3.069 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.858 -3.296 -1.974 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.470 -0.543 -2.466 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.837 -2.591 -1.379 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.651 -1.227 -1.626 1.00 0.00 C ATOM 0 H TRP A 32 -4.912 -4.005 -6.033 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.703 -5.527 -4.009 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.463 -4.267 -4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.627 -4.738 -2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.095 -1.824 -4.949 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.562 0.127 -4.274 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.993 -4.349 -1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.325 0.510 -2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.164 -3.102 -0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.839 -0.707 -1.139 1.00 0.00 H new ATOM 473 N ASP A 33 -6.182 -6.880 -5.567 1.00 0.00 N ATOM 474 CA ASP A 33 -6.976 -8.077 -5.800 1.00 0.00 C ATOM 475 C ASP A 33 -6.099 -9.210 -6.341 1.00 0.00 C ATOM 476 O ASP A 33 -6.479 -10.372 -6.314 1.00 0.00 O ATOM 477 CB ASP A 33 -8.101 -7.733 -6.794 1.00 0.00 C ATOM 478 CG ASP A 33 -8.932 -8.914 -7.258 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.726 -9.461 -6.466 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.831 -9.284 -8.452 1.00 0.00 O ATOM 0 H ASP A 33 -6.275 -6.183 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.410 -8.420 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.763 -7.002 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.659 -7.254 -7.668 1.00 0.00 H new ATOM 485 N SER A 34 -4.904 -8.865 -6.756 1.00 0.00 N ATOM 486 CA SER A 34 -4.019 -9.797 -7.387 1.00 0.00 C ATOM 487 C SER A 34 -2.947 -10.297 -6.422 1.00 0.00 C ATOM 488 O SER A 34 -2.371 -9.527 -5.645 1.00 0.00 O ATOM 489 CB SER A 34 -3.369 -9.132 -8.607 1.00 0.00 C ATOM 490 OG SER A 34 -2.499 -10.023 -9.292 1.00 0.00 O ATOM 0 H SER A 34 -4.522 -7.924 -6.662 1.00 0.00 H new ATOM 0 HA SER A 34 -4.600 -10.663 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.145 -8.786 -9.289 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.810 -8.252 -8.287 1.00 0.00 H new ATOM 0 HG SER A 34 -1.587 -9.666 -9.277 1.00 0.00 H new ATOM 496 N GLN A 35 -2.679 -11.578 -6.498 1.00 0.00 N ATOM 497 CA GLN A 35 -1.630 -12.229 -5.729 1.00 0.00 C ATOM 498 C GLN A 35 -0.459 -12.512 -6.656 1.00 0.00 C ATOM 499 O GLN A 35 0.463 -13.250 -6.325 1.00 0.00 O ATOM 500 CB GLN A 35 -2.136 -13.554 -5.147 1.00 0.00 C ATOM 501 CG GLN A 35 -3.288 -13.431 -4.163 1.00 0.00 C ATOM 502 CD GLN A 35 -2.883 -12.788 -2.854 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.980 -11.958 -2.796 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.540 -13.158 -1.797 1.00 0.00 N ATOM 0 H GLN A 35 -3.191 -12.216 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.327 -11.578 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.449 -14.198 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.306 -14.054 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.086 -12.844 -4.618 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.695 -14.422 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.285 -13.850 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.311 -12.757 -0.888 1.00 0.00 H new ATOM 513 N SER A 36 -0.498 -11.904 -7.812 1.00 0.00 N ATOM 514 CA SER A 36 0.501 -12.110 -8.799 1.00 0.00 C ATOM 515 C SER A 36 0.979 -10.771 -9.365 1.00 0.00 C ATOM 516 O SER A 36 0.182 -9.990 -9.902 1.00 0.00 O ATOM 517 CB SER A 36 -0.046 -13.045 -9.887 1.00 0.00 C ATOM 518 OG SER A 36 -1.358 -12.645 -10.305 1.00 0.00 O ATOM 0 H SER A 36 -1.232 -11.251 -8.086 1.00 0.00 H new ATOM 0 HA SER A 36 1.372 -12.589 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.628 -13.043 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.078 -14.067 -9.509 1.00 0.00 H new ATOM 0 HG SER A 36 -1.533 -11.730 -10.001 1.00 0.00 H new ATOM 524 N PRO A 37 2.271 -10.460 -9.211 1.00 0.00 N ATOM 525 CA PRO A 37 3.327 -11.498 -9.054 1.00 0.00 C ATOM 526 C PRO A 37 3.661 -11.781 -7.580 1.00 0.00 C ATOM 527 O PRO A 37 4.144 -12.862 -7.236 1.00 0.00 O ATOM 528 CB PRO A 37 4.521 -10.829 -9.720 1.00 0.00 C ATOM 529 CG PRO A 37 4.316 -9.408 -9.391 1.00 0.00 C ATOM 530 CD PRO A 37 2.875 -9.183 -9.659 1.00 0.00 C ATOM 0 HA PRO A 37 3.032 -12.460 -9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.467 -11.204 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.533 -10.999 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.566 -9.199 -8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.942 -8.761 -10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.485 -8.331 -9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.682 -8.989 -10.714 1.00 0.00 H new ATOM 538 N HIS A 38 3.422 -10.796 -6.737 1.00 0.00 N ATOM 539 CA HIS A 38 3.718 -10.887 -5.322 1.00 0.00 C ATOM 540 C HIS A 38 2.519 -11.360 -4.540 1.00 0.00 C ATOM 541 O HIS A 38 1.429 -10.790 -4.664 1.00 0.00 O ATOM 542 CB HIS A 38 4.160 -9.533 -4.790 1.00 0.00 C ATOM 543 CG HIS A 38 5.440 -9.046 -5.359 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.508 -8.067 -6.311 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.714 -9.415 -5.111 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.759 -7.865 -6.630 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.515 -8.663 -5.914 1.00 0.00 N ATOM 0 H HIS A 38 3.014 -9.904 -7.017 1.00 0.00 H new ATOM 0 HA HIS A 38 4.522 -11.613 -5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.380 -8.801 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.257 -9.595 -3.706 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.709 -7.573 -6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.038 -10.167 -4.407 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.113 -7.156 -7.364 1.00 0.00 H new ATOM 556 N ALA A 39 2.724 -12.347 -3.709 1.00 0.00 N ATOM 557 CA ALA A 39 1.659 -12.903 -2.909 1.00 0.00 C ATOM 558 C ALA A 39 1.521 -12.066 -1.665 1.00 0.00 C ATOM 559 O ALA A 39 2.524 -11.737 -1.020 1.00 0.00 O ATOM 560 CB ALA A 39 1.958 -14.351 -2.554 1.00 0.00 C ATOM 0 H ALA A 39 3.632 -12.790 -3.566 1.00 0.00 H new ATOM 0 HA ALA A 39 0.724 -12.891 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.144 -14.753 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.056 -14.937 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.888 -14.402 -1.988 1.00 0.00 H new ATOM 566 N HIS A 40 0.319 -11.675 -1.335 1.00 0.00 N ATOM 567 CA HIS A 40 0.134 -10.803 -0.198 1.00 0.00 C ATOM 568 C HIS A 40 -1.111 -11.126 0.600 1.00 0.00 C ATOM 569 O HIS A 40 -1.997 -11.825 0.136 1.00 0.00 O ATOM 570 CB HIS A 40 0.116 -9.316 -0.632 1.00 0.00 C ATOM 571 CG HIS A 40 -1.007 -8.893 -1.574 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.818 -7.989 -2.579 1.00 0.00 N ATOM 573 CD2 HIS A 40 -2.347 -9.153 -1.573 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.974 -7.707 -3.129 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.905 -8.397 -2.546 1.00 0.00 N ATOM 0 H HIS A 40 -0.536 -11.939 -1.825 1.00 0.00 H new ATOM 0 HA HIS A 40 0.989 -10.976 0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.058 -8.700 0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.068 -9.090 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.866 -9.836 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.127 -7.010 -3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.897 -8.373 -2.783 1.00 0.00 H new ATOM 584 N GLY A 41 -1.194 -10.553 1.770 1.00 0.00 N ATOM 585 CA GLY A 41 -2.347 -10.724 2.584 1.00 0.00 C ATOM 586 C GLY A 41 -3.250 -9.516 2.557 1.00 0.00 C ATOM 587 O GLY A 41 -4.230 -9.460 3.292 1.00 0.00 O ATOM 0 H GLY A 41 -0.468 -9.962 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.903 -11.598 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.038 -10.922 3.611 1.00 0.00 H new ATOM 591 N TYR A 42 -2.958 -8.540 1.683 1.00 0.00 N ATOM 592 CA TYR A 42 -3.779 -7.361 1.611 1.00 0.00 C ATOM 593 C TYR A 42 -4.865 -7.610 0.623 1.00 0.00 C ATOM 594 O TYR A 42 -4.780 -7.223 -0.534 1.00 0.00 O ATOM 595 CB TYR A 42 -2.995 -6.097 1.249 1.00 0.00 C ATOM 596 CG TYR A 42 -2.007 -5.616 2.294 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.733 -6.160 2.368 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.332 -4.578 3.177 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.188 -5.701 3.283 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.405 -4.108 4.084 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.148 -4.671 4.130 1.00 0.00 C ATOM 602 OH TYR A 42 0.780 -4.199 5.021 1.00 0.00 O ATOM 0 H TYR A 42 -2.171 -8.558 1.035 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.191 -7.173 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.454 -6.280 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.706 -5.295 1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.458 -6.959 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.319 -4.141 3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.170 -6.148 3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.663 -3.302 4.755 1.00 0.00 H new ATOM 0 HH TYR A 42 0.438 -3.387 5.451 1.00 0.00 H new ATOM 612 N ILE A 43 -5.789 -8.397 1.048 1.00 0.00 N ATOM 613 CA ILE A 43 -6.918 -8.741 0.250 1.00 0.00 C ATOM 614 C ILE A 43 -8.038 -7.738 0.548 1.00 0.00 C ATOM 615 O ILE A 43 -8.410 -7.548 1.704 1.00 0.00 O ATOM 616 CB ILE A 43 -7.375 -10.198 0.551 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.175 -11.152 0.386 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.508 -10.608 -0.395 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.448 -12.583 0.791 1.00 0.00 C ATOM 0 H ILE A 43 -5.784 -8.828 1.973 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.659 -8.696 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.746 -10.254 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.857 -11.138 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.342 -10.773 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.817 -11.629 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.355 -9.935 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.159 -10.551 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.549 -13.181 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.735 -12.615 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.257 -12.986 0.182 1.00 0.00 H new ATOM 631 N PRO A 44 -8.576 -7.085 -0.475 1.00 0.00 N ATOM 632 CA PRO A 44 -9.621 -6.044 -0.320 1.00 0.00 C ATOM 633 C PRO A 44 -10.925 -6.541 0.320 1.00 0.00 C ATOM 634 O PRO A 44 -11.763 -5.741 0.723 1.00 0.00 O ATOM 635 CB PRO A 44 -9.891 -5.602 -1.753 1.00 0.00 C ATOM 636 CG PRO A 44 -8.682 -6.013 -2.514 1.00 0.00 C ATOM 637 CD PRO A 44 -8.194 -7.259 -1.883 1.00 0.00 C ATOM 0 HA PRO A 44 -9.277 -5.258 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.788 -6.076 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.047 -4.525 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.922 -6.178 -3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.919 -5.236 -2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.658 -8.142 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.116 -7.375 -1.998 1.00 0.00 H new ATOM 645 N SER A 45 -11.087 -7.844 0.417 1.00 0.00 N ATOM 646 CA SER A 45 -12.269 -8.407 0.990 1.00 0.00 C ATOM 647 C SER A 45 -12.148 -8.407 2.511 1.00 0.00 C ATOM 648 O SER A 45 -13.132 -8.217 3.229 1.00 0.00 O ATOM 649 CB SER A 45 -12.431 -9.826 0.470 1.00 0.00 C ATOM 650 OG SER A 45 -12.297 -9.851 -0.948 1.00 0.00 O ATOM 0 H SER A 45 -10.402 -8.530 0.100 1.00 0.00 H new ATOM 0 HA SER A 45 -13.143 -7.817 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.682 -10.475 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.407 -10.216 0.757 1.00 0.00 H new ATOM 0 HG SER A 45 -12.402 -10.771 -1.270 1.00 0.00 H new ATOM 656 N LYS A 46 -10.925 -8.582 2.994 1.00 0.00 N ATOM 657 CA LYS A 46 -10.677 -8.655 4.388 1.00 0.00 C ATOM 658 C LYS A 46 -10.413 -7.264 4.962 1.00 0.00 C ATOM 659 O LYS A 46 -10.660 -7.016 6.143 1.00 0.00 O ATOM 660 CB LYS A 46 -9.550 -9.652 4.663 1.00 0.00 C ATOM 661 CG LYS A 46 -8.189 -9.271 4.130 1.00 0.00 C ATOM 662 CD LYS A 46 -7.145 -10.366 4.347 1.00 0.00 C ATOM 663 CE LYS A 46 -6.846 -10.584 5.820 1.00 0.00 C ATOM 664 NZ LYS A 46 -5.789 -11.589 6.027 1.00 0.00 N ATOM 0 H LYS A 46 -10.092 -8.675 2.413 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.562 -9.029 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.470 -9.793 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.830 -10.615 4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.268 -9.055 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.856 -8.355 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.501 -11.298 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.226 -10.098 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.542 -9.640 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.754 -10.903 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.801 -11.906 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.956 -12.402 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.863 -11.169 5.809 1.00 0.00 H new ATOM 678 N PHE A 47 -9.932 -6.352 4.116 1.00 0.00 N ATOM 679 CA PHE A 47 -9.778 -4.942 4.507 1.00 0.00 C ATOM 680 C PHE A 47 -10.581 -4.070 3.505 1.00 0.00 C ATOM 681 O PHE A 47 -10.001 -3.396 2.651 1.00 0.00 O ATOM 682 CB PHE A 47 -8.290 -4.486 4.507 1.00 0.00 C ATOM 683 CG PHE A 47 -7.312 -5.446 5.160 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.268 -5.626 6.537 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.439 -6.184 4.378 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.382 -6.514 7.099 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.553 -7.075 4.952 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.529 -7.238 6.310 1.00 0.00 C ATOM 0 H PHE A 47 -9.643 -6.558 3.160 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.151 -4.826 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.978 -4.323 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.223 -3.524 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.936 -5.063 7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.451 -6.061 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.359 -6.642 8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.879 -7.643 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.838 -7.937 6.759 1.00 0.00 H new ATOM 698 N PRO A 48 -11.935 -4.117 3.561 1.00 0.00 N ATOM 699 CA PRO A 48 -12.805 -3.426 2.577 1.00 0.00 C ATOM 700 C PRO A 48 -12.950 -1.932 2.860 1.00 0.00 C ATOM 701 O PRO A 48 -13.118 -1.109 1.955 1.00 0.00 O ATOM 702 CB PRO A 48 -14.142 -4.130 2.794 1.00 0.00 C ATOM 703 CG PRO A 48 -14.141 -4.423 4.255 1.00 0.00 C ATOM 704 CD PRO A 48 -12.740 -4.837 4.581 1.00 0.00 C ATOM 0 HA PRO A 48 -12.411 -3.479 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.982 -3.495 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.218 -5.041 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.435 -3.545 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.850 -5.215 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.459 -4.549 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.611 -5.917 4.509 1.00 0.00 H new ATOM 712 N ASN A 49 -12.835 -1.609 4.118 1.00 0.00 N ATOM 713 CA ASN A 49 -13.007 -0.276 4.657 1.00 0.00 C ATOM 714 C ASN A 49 -11.999 0.726 4.117 1.00 0.00 C ATOM 715 O ASN A 49 -12.252 1.933 4.133 1.00 0.00 O ATOM 716 CB ASN A 49 -12.923 -0.320 6.195 1.00 0.00 C ATOM 717 CG ASN A 49 -11.597 -0.886 6.738 1.00 0.00 C ATOM 718 OD1 ASN A 49 -10.949 -1.714 6.104 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.199 -0.458 7.910 1.00 0.00 N ATOM 0 H ASN A 49 -12.608 -2.297 4.836 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.992 0.066 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.061 0.689 6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.746 -0.924 6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.333 -0.813 8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.755 0.230 8.417 1.00 0.00 H new ATOM 726 N LYS A 50 -10.886 0.246 3.619 1.00 0.00 N ATOM 727 CA LYS A 50 -9.852 1.113 3.130 1.00 0.00 C ATOM 728 C LYS A 50 -9.981 1.363 1.624 1.00 0.00 C ATOM 729 O LYS A 50 -9.169 2.081 1.044 1.00 0.00 O ATOM 730 CB LYS A 50 -8.503 0.508 3.478 1.00 0.00 C ATOM 731 CG LYS A 50 -8.309 0.269 4.978 1.00 0.00 C ATOM 732 CD LYS A 50 -8.394 1.565 5.781 1.00 0.00 C ATOM 733 CE LYS A 50 -8.296 1.293 7.273 1.00 0.00 C ATOM 734 NZ LYS A 50 -8.369 2.530 8.065 1.00 0.00 N ATOM 0 H LYS A 50 -10.676 -0.749 3.543 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.949 2.087 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.391 -0.439 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.714 1.168 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.067 -0.428 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.340 -0.199 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.592 2.237 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.334 2.071 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.101 0.623 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.358 0.780 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.298 2.299 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.586 3.160 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.275 3.007 7.881 1.00 0.00 H new ATOM 748 N ASN A 51 -11.018 0.772 1.021 1.00 0.00 N ATOM 749 CA ASN A 51 -11.318 0.883 -0.429 1.00 0.00 C ATOM 750 C ASN A 51 -10.103 0.470 -1.239 1.00 0.00 C ATOM 751 O ASN A 51 -9.599 1.219 -2.110 1.00 0.00 O ATOM 752 CB ASN A 51 -11.756 2.298 -0.840 1.00 0.00 C ATOM 753 CG ASN A 51 -12.524 2.282 -2.155 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.217 1.319 -2.467 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.422 3.325 -2.924 1.00 0.00 N ATOM 0 H ASN A 51 -11.689 0.192 1.525 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.154 0.215 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.381 2.729 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.879 2.938 -0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.925 3.356 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.839 4.112 -2.641 1.00 0.00 H new ATOM 762 N LEU A 52 -9.627 -0.702 -0.936 1.00 0.00 N ATOM 763 CA LEU A 52 -8.429 -1.258 -1.509 1.00 0.00 C ATOM 764 C LEU A 52 -8.741 -1.772 -2.935 1.00 0.00 C ATOM 765 O LEU A 52 -8.765 -2.971 -3.190 1.00 0.00 O ATOM 766 CB LEU A 52 -7.965 -2.394 -0.587 1.00 0.00 C ATOM 767 CG LEU A 52 -6.491 -2.745 -0.604 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.669 -1.594 -0.043 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.241 -4.015 0.189 1.00 0.00 C ATOM 0 H LEU A 52 -10.075 -1.321 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.636 -0.515 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.237 -2.131 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.528 -3.290 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.185 -2.918 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.612 -1.859 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.830 -0.703 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.976 -1.394 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.178 -4.254 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.559 -3.868 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.807 -4.836 -0.251 1.00 0.00 H new ATOM 781 N LYS A 53 -9.017 -0.869 -3.851 1.00 0.00 N ATOM 782 CA LYS A 53 -9.477 -1.270 -5.160 1.00 0.00 C ATOM 783 C LYS A 53 -8.443 -1.101 -6.234 1.00 0.00 C ATOM 784 O LYS A 53 -7.594 -0.201 -6.178 1.00 0.00 O ATOM 785 CB LYS A 53 -10.742 -0.529 -5.565 1.00 0.00 C ATOM 786 CG LYS A 53 -11.908 -0.566 -4.562 1.00 0.00 C ATOM 787 CD LYS A 53 -12.758 -1.853 -4.591 1.00 0.00 C ATOM 788 CE LYS A 53 -12.010 -3.116 -4.163 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.888 -4.293 -4.129 1.00 0.00 N ATOM 0 H LYS A 53 -8.932 0.138 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.691 -2.335 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.483 0.514 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.092 -0.942 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.506 -0.438 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.560 0.286 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.621 -1.718 -3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.141 -1.998 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.185 -3.299 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.573 -2.961 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.340 -5.126 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.661 -4.130 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.285 -4.457 -5.076 1.00 0.00 H new ATOM 803 N LYS A 54 -8.588 -1.958 -7.237 1.00 0.00 N ATOM 804 CA LYS A 54 -7.744 -2.009 -8.418 1.00 0.00 C ATOM 805 C LYS A 54 -6.270 -2.070 -8.017 1.00 0.00 C ATOM 806 O LYS A 54 -5.890 -2.851 -7.141 1.00 0.00 O ATOM 807 CB LYS A 54 -8.051 -0.801 -9.348 1.00 0.00 C ATOM 808 CG LYS A 54 -9.500 -0.698 -9.874 1.00 0.00 C ATOM 809 CD LYS A 54 -9.801 -1.573 -11.116 1.00 0.00 C ATOM 810 CE LYS A 54 -9.759 -3.079 -10.861 1.00 0.00 C ATOM 811 NZ LYS A 54 -10.120 -3.848 -12.068 1.00 0.00 N ATOM 0 H LYS A 54 -9.326 -2.662 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.962 -2.917 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.816 0.116 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.378 -0.848 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.184 -0.980 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.710 0.343 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.787 -1.310 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.081 -1.330 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.760 -3.365 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.444 -3.330 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.080 -4.865 -11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.083 -3.594 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.451 -3.627 -12.833 1.00 0.00 H new ATOM 825 N ASN A 55 -5.470 -1.280 -8.662 1.00 0.00 N ATOM 826 CA ASN A 55 -4.061 -1.180 -8.388 1.00 0.00 C ATOM 827 C ASN A 55 -3.754 0.283 -8.124 1.00 0.00 C ATOM 828 O ASN A 55 -2.705 0.815 -8.487 1.00 0.00 O ATOM 829 CB ASN A 55 -3.253 -1.763 -9.576 1.00 0.00 C ATOM 830 CG ASN A 55 -3.468 -1.053 -10.903 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.623 -0.130 -11.217 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -4.394 -1.375 -11.653 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.783 -0.668 -9.416 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.774 -1.761 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.192 -1.727 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.517 -2.814 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.045 -2.109 -11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.509 -0.907 -12.552 1.00 0.00 H new ATOM 839 N TYR A 56 -4.709 0.916 -7.465 1.00 0.00 N ATOM 840 CA TYR A 56 -4.636 2.304 -7.087 1.00 0.00 C ATOM 841 C TYR A 56 -3.828 2.430 -5.828 1.00 0.00 C ATOM 842 O TYR A 56 -3.977 1.604 -4.933 1.00 0.00 O ATOM 843 CB TYR A 56 -6.035 2.840 -6.800 1.00 0.00 C ATOM 844 CG TYR A 56 -7.008 2.870 -7.956 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.592 2.928 -9.292 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.368 2.873 -7.698 1.00 0.00 C ATOM 847 CE1 TYR A 56 -7.524 2.982 -10.316 1.00 0.00 C ATOM 848 CE2 TYR A 56 -9.292 2.923 -8.707 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.874 2.979 -10.012 1.00 0.00 C ATOM 850 OH TYR A 56 -9.813 3.030 -11.019 1.00 0.00 O ATOM 0 H TYR A 56 -5.575 0.462 -7.174 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.179 2.867 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.472 2.237 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.937 3.854 -6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.538 2.931 -9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.709 2.835 -6.674 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.199 3.026 -11.345 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.347 2.918 -8.476 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.712 3.019 -10.629 1.00 0.00 H new ATOM 860 N CYS A 57 -3.014 3.461 -5.724 1.00 0.00 N ATOM 861 CA CYS A 57 -2.224 3.633 -4.521 1.00 0.00 C ATOM 862 C CYS A 57 -3.148 3.917 -3.359 1.00 0.00 C ATOM 863 O CYS A 57 -4.055 4.770 -3.449 1.00 0.00 O ATOM 864 CB CYS A 57 -1.209 4.749 -4.644 1.00 0.00 C ATOM 865 SG CYS A 57 -0.094 4.627 -6.085 1.00 0.00 S ATOM 0 H CYS A 57 -2.883 4.177 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.668 2.710 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.741 5.699 -4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.604 4.771 -3.737 1.00 0.00 H new ATOM 870 N ARG A 58 -2.958 3.197 -2.301 1.00 0.00 N ATOM 871 CA ARG A 58 -3.789 3.307 -1.145 1.00 0.00 C ATOM 872 C ARG A 58 -2.926 3.306 0.085 1.00 0.00 C ATOM 873 O ARG A 58 -1.732 3.015 0.015 1.00 0.00 O ATOM 874 CB ARG A 58 -4.788 2.125 -1.086 1.00 0.00 C ATOM 875 CG ARG A 58 -5.888 2.128 -2.150 1.00 0.00 C ATOM 876 CD ARG A 58 -6.786 3.348 -1.997 1.00 0.00 C ATOM 877 NE ARG A 58 -7.893 3.373 -2.966 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.966 4.230 -3.993 1.00 0.00 C ATOM 879 NH1 ARG A 58 -6.901 4.964 -4.334 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.081 4.326 -4.711 1.00 0.00 N ATOM 0 H ARG A 58 -2.212 2.507 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.355 4.237 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.227 1.195 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.259 2.121 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.439 2.124 -3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.484 1.219 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.195 3.367 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.186 4.251 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.649 2.698 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.030 4.872 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.960 5.616 -5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.887 3.745 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.130 4.981 -5.492 1.00 0.00 H new ATOM 894 N ASN A 59 -3.510 3.655 1.176 1.00 0.00 N ATOM 895 CA ASN A 59 -2.860 3.584 2.463 1.00 0.00 C ATOM 896 C ASN A 59 -3.871 2.959 3.398 1.00 0.00 C ATOM 897 O ASN A 59 -4.710 3.644 3.948 1.00 0.00 O ATOM 898 CB ASN A 59 -2.419 4.973 3.013 1.00 0.00 C ATOM 899 CG ASN A 59 -1.540 4.844 4.266 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.595 3.857 4.977 1.00 0.00 O ATOM 901 ND2 ASN A 59 -0.771 5.864 4.570 1.00 0.00 N ATOM 0 H ASN A 59 -4.467 4.005 1.214 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.941 3.004 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.871 5.512 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.302 5.566 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.203 5.840 5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.741 6.680 3.959 1.00 0.00 H new ATOM 908 N PRO A 60 -3.882 1.639 3.492 1.00 0.00 N ATOM 909 CA PRO A 60 -4.862 0.933 4.304 1.00 0.00 C ATOM 910 C PRO A 60 -4.436 0.761 5.760 1.00 0.00 C ATOM 911 O PRO A 60 -5.247 0.819 6.682 1.00 0.00 O ATOM 912 CB PRO A 60 -4.906 -0.433 3.614 1.00 0.00 C ATOM 913 CG PRO A 60 -3.505 -0.650 3.137 1.00 0.00 C ATOM 914 CD PRO A 60 -2.966 0.709 2.781 1.00 0.00 C ATOM 0 HA PRO A 60 -5.811 1.467 4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.218 -1.217 4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.614 -0.438 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.898 -1.118 3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.487 -1.314 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.934 0.831 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.979 0.877 1.704 1.00 0.00 H new ATOM 922 N ASP A 61 -3.181 0.561 5.943 1.00 0.00 N ATOM 923 CA ASP A 61 -2.617 0.185 7.198 1.00 0.00 C ATOM 924 C ASP A 61 -1.971 1.319 7.962 1.00 0.00 C ATOM 925 O ASP A 61 -1.445 1.106 9.069 1.00 0.00 O ATOM 926 CB ASP A 61 -1.648 -0.961 6.980 1.00 0.00 C ATOM 927 CG ASP A 61 -0.611 -0.735 5.897 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.566 0.353 5.263 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.162 -1.666 5.654 1.00 0.00 O ATOM 0 H ASP A 61 -2.490 0.657 5.199 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.442 -0.132 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.131 -1.162 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.219 -1.856 6.732 1.00 0.00 H new ATOM 934 N ARG A 62 -2.067 2.504 7.428 1.00 0.00 N ATOM 935 CA ARG A 62 -1.496 3.717 8.014 1.00 0.00 C ATOM 936 C ARG A 62 0.032 3.699 7.927 1.00 0.00 C ATOM 937 O ARG A 62 0.728 3.691 8.948 1.00 0.00 O ATOM 938 CB ARG A 62 -1.957 4.031 9.487 1.00 0.00 C ATOM 939 CG ARG A 62 -3.466 4.252 9.731 1.00 0.00 C ATOM 940 CD ARG A 62 -4.281 2.950 9.740 1.00 0.00 C ATOM 941 NE ARG A 62 -3.811 1.998 10.783 1.00 0.00 N ATOM 942 CZ ARG A 62 -4.547 1.020 11.345 1.00 0.00 C ATOM 943 NH1 ARG A 62 -5.824 0.923 11.090 1.00 0.00 N ATOM 944 NH2 ARG A 62 -3.998 0.180 12.215 1.00 0.00 N ATOM 0 H ARG A 62 -2.555 2.674 6.549 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.896 4.530 7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.630 3.209 10.124 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.428 4.923 9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.601 4.763 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.858 4.912 8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.332 3.183 9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.214 2.475 8.761 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.846 2.095 11.100 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.271 1.591 10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.375 0.180 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.013 0.273 12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.562 -0.558 12.637 1.00 0.00 H new ATOM 958 N ASP A 63 0.544 3.583 6.715 1.00 0.00 N ATOM 959 CA ASP A 63 1.983 3.682 6.460 1.00 0.00 C ATOM 960 C ASP A 63 2.318 5.189 6.406 1.00 0.00 C ATOM 961 O ASP A 63 1.428 6.028 6.641 1.00 0.00 O ATOM 962 CB ASP A 63 2.340 3.001 5.113 1.00 0.00 C ATOM 963 CG ASP A 63 3.797 2.526 5.022 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.733 3.266 5.436 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.033 1.393 4.575 1.00 0.00 O ATOM 0 H ASP A 63 -0.017 3.418 5.879 1.00 0.00 H new ATOM 0 HA ASP A 63 2.556 3.180 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.680 2.147 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.145 3.701 4.301 1.00 0.00 H new ATOM 970 N LEU A 64 3.543 5.533 6.073 1.00 0.00 N ATOM 971 CA LEU A 64 4.000 6.928 6.085 1.00 0.00 C ATOM 972 C LEU A 64 3.224 7.793 5.089 1.00 0.00 C ATOM 973 O LEU A 64 2.938 8.968 5.354 1.00 0.00 O ATOM 974 CB LEU A 64 5.507 7.016 5.812 1.00 0.00 C ATOM 975 CG LEU A 64 6.417 6.164 6.714 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.876 6.378 6.354 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.182 6.468 8.185 1.00 0.00 C ATOM 0 H LEU A 64 4.258 4.864 5.785 1.00 0.00 H new ATOM 0 HA LEU A 64 3.804 7.319 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.684 6.726 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.811 8.058 5.907 1.00 0.00 H new ATOM 0 HG LEU A 64 6.165 5.117 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.504 5.767 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.040 6.092 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.133 7.429 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.841 5.849 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.392 7.520 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.144 6.253 8.440 1.00 0.00 H new ATOM 989 N ARG A 65 2.890 7.208 3.975 1.00 0.00 N ATOM 990 CA ARG A 65 2.107 7.829 2.936 1.00 0.00 C ATOM 991 C ARG A 65 1.570 6.666 2.127 1.00 0.00 C ATOM 992 O ARG A 65 2.035 5.541 2.355 1.00 0.00 O ATOM 993 CB ARG A 65 2.974 8.779 2.051 1.00 0.00 C ATOM 994 CG ARG A 65 3.975 8.080 1.142 1.00 0.00 C ATOM 995 CD ARG A 65 4.769 9.071 0.298 1.00 0.00 C ATOM 996 NE ARG A 65 5.719 9.864 1.095 1.00 0.00 N ATOM 997 CZ ARG A 65 6.534 10.814 0.599 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.360 11.257 -0.640 1.00 0.00 N ATOM 999 NH2 ARG A 65 7.481 11.351 1.368 1.00 0.00 N ATOM 0 H ARG A 65 3.163 6.251 3.753 1.00 0.00 H new ATOM 0 HA ARG A 65 1.314 8.458 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.309 9.384 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.516 9.464 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.661 7.487 1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.447 7.387 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.314 8.529 -0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.078 9.743 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 65 5.763 9.680 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.609 10.878 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.977 11.977 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.589 11.042 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.097 12.071 0.990 1.00 0.00 H new ATOM 1013 N PRO A 66 0.581 6.860 1.225 1.00 0.00 N ATOM 1014 CA PRO A 66 0.061 5.771 0.397 1.00 0.00 C ATOM 1015 C PRO A 66 1.135 5.082 -0.396 1.00 0.00 C ATOM 1016 O PRO A 66 2.147 5.685 -0.803 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.943 6.459 -0.512 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.409 7.565 0.331 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.156 8.106 0.959 1.00 0.00 C ATOM 0 HA PRO A 66 -0.379 4.977 1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.482 6.814 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.757 5.793 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.920 8.327 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.115 7.220 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.387 8.772 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.360 8.668 1.871 1.00 0.00 H new ATOM 1027 N TRP A 67 0.906 3.859 -0.643 1.00 0.00 N ATOM 1028 CA TRP A 67 1.848 3.015 -1.239 1.00 0.00 C ATOM 1029 C TRP A 67 1.121 2.075 -2.154 1.00 0.00 C ATOM 1030 O TRP A 67 -0.110 2.180 -2.297 1.00 0.00 O ATOM 1031 CB TRP A 67 2.649 2.268 -0.144 1.00 0.00 C ATOM 1032 CG TRP A 67 1.801 1.491 0.832 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.194 1.968 1.965 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.484 0.103 0.767 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.518 0.956 2.597 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.675 -0.195 1.878 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.801 -0.917 -0.125 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.183 -1.470 2.116 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.316 -2.176 0.115 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.511 -2.445 1.225 1.00 0.00 C ATOM 0 H TRP A 67 0.021 3.400 -0.427 1.00 0.00 H new ATOM 0 HA TRP A 67 2.569 3.583 -1.827 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.346 1.583 -0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.246 2.993 0.410 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.241 2.991 2.309 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -0.015 1.048 3.462 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.417 -0.720 -0.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.436 -1.681 2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.561 -2.976 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.141 -3.448 1.379 1.00 0.00 H new ATOM 1051 N CYS A 68 1.837 1.199 -2.777 1.00 0.00 N ATOM 1052 CA CYS A 68 1.246 0.263 -3.665 1.00 0.00 C ATOM 1053 C CYS A 68 2.223 -0.872 -3.856 1.00 0.00 C ATOM 1054 O CYS A 68 3.437 -0.688 -3.642 1.00 0.00 O ATOM 1055 CB CYS A 68 0.941 0.944 -5.007 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.699 0.566 -5.667 1.00 0.00 S ATOM 0 H CYS A 68 2.849 1.114 -2.683 1.00 0.00 H new ATOM 0 HA CYS A 68 0.309 -0.118 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.032 2.023 -4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.693 0.642 -5.736 1.00 0.00 H new ATOM 1061 N PHE A 69 1.733 -2.038 -4.204 1.00 0.00 N ATOM 1062 CA PHE A 69 2.611 -3.143 -4.480 1.00 0.00 C ATOM 1063 C PHE A 69 3.156 -2.994 -5.869 1.00 0.00 C ATOM 1064 O PHE A 69 2.489 -2.475 -6.738 1.00 0.00 O ATOM 1065 CB PHE A 69 1.907 -4.495 -4.321 1.00 0.00 C ATOM 1066 CG PHE A 69 1.766 -4.965 -2.898 1.00 0.00 C ATOM 1067 CD1 PHE A 69 2.859 -5.485 -2.225 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.558 -4.897 -2.239 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.755 -5.926 -0.925 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.444 -5.340 -0.933 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.549 -5.855 -0.276 1.00 0.00 C ATOM 0 H PHE A 69 0.738 -2.243 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 69 3.424 -3.126 -3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.915 -4.428 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.460 -5.246 -4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.812 -5.546 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.307 -4.495 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.620 -6.327 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.508 -5.284 -0.426 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.461 -6.199 0.744 1.00 0.00 H new ATOM 1081 N THR A 70 4.348 -3.395 -6.073 1.00 0.00 N ATOM 1082 CA THR A 70 4.954 -3.297 -7.359 1.00 0.00 C ATOM 1083 C THR A 70 4.800 -4.583 -8.146 1.00 0.00 C ATOM 1084 O THR A 70 4.728 -5.676 -7.572 1.00 0.00 O ATOM 1085 CB THR A 70 6.428 -2.981 -7.175 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.829 -3.460 -5.895 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.696 -1.502 -7.285 1.00 0.00 C ATOM 0 H THR A 70 4.944 -3.805 -5.354 1.00 0.00 H new ATOM 0 HA THR A 70 4.459 -2.506 -7.922 1.00 0.00 H new ATOM 0 HB THR A 70 7.000 -3.470 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.263 -4.333 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.761 -1.314 -7.148 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.389 -1.149 -8.269 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.132 -0.972 -6.517 1.00 0.00 H new ATOM 1095 N THR A 71 4.700 -4.462 -9.447 1.00 0.00 N ATOM 1096 CA THR A 71 4.705 -5.630 -10.289 1.00 0.00 C ATOM 1097 C THR A 71 6.180 -5.979 -10.629 1.00 0.00 C ATOM 1098 O THR A 71 6.486 -7.035 -11.185 1.00 0.00 O ATOM 1099 CB THR A 71 3.828 -5.422 -11.576 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.695 -6.645 -12.314 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.410 -4.356 -12.479 1.00 0.00 C ATOM 0 H THR A 71 4.615 -3.574 -9.941 1.00 0.00 H new ATOM 0 HA THR A 71 4.252 -6.469 -9.760 1.00 0.00 H new ATOM 0 HB THR A 71 2.844 -5.097 -11.238 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.540 -7.140 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.777 -4.239 -13.359 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.460 -3.410 -11.940 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.413 -4.650 -12.790 1.00 0.00 H new ATOM 1109 N ASP A 72 7.086 -5.078 -10.230 1.00 0.00 N ATOM 1110 CA ASP A 72 8.521 -5.261 -10.410 1.00 0.00 C ATOM 1111 C ASP A 72 8.978 -6.356 -9.465 1.00 0.00 C ATOM 1112 O ASP A 72 8.698 -6.276 -8.290 1.00 0.00 O ATOM 1113 CB ASP A 72 9.255 -3.954 -10.073 1.00 0.00 C ATOM 1114 CG ASP A 72 10.762 -4.066 -10.183 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.425 -4.407 -9.183 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.312 -3.783 -11.265 1.00 0.00 O ATOM 0 H ASP A 72 6.838 -4.201 -9.772 1.00 0.00 H new ATOM 0 HA ASP A 72 8.741 -5.533 -11.442 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.907 -3.167 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.993 -3.650 -9.060 1.00 0.00 H new ATOM 1121 N PRO A 73 9.671 -7.396 -9.955 1.00 0.00 N ATOM 1122 CA PRO A 73 10.076 -8.538 -9.124 1.00 0.00 C ATOM 1123 C PRO A 73 11.066 -8.198 -7.998 1.00 0.00 C ATOM 1124 O PRO A 73 11.185 -8.950 -7.026 1.00 0.00 O ATOM 1125 CB PRO A 73 10.705 -9.528 -10.114 1.00 0.00 C ATOM 1126 CG PRO A 73 10.323 -9.052 -11.458 1.00 0.00 C ATOM 1127 CD PRO A 73 10.098 -7.573 -11.351 1.00 0.00 C ATOM 0 HA PRO A 73 9.210 -8.931 -8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.789 -9.556 -10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.340 -10.540 -9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.107 -9.271 -12.182 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.420 -9.556 -11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.006 -7.011 -11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.336 -7.230 -12.051 1.00 0.00 H new ATOM 1135 N ASN A 74 11.746 -7.084 -8.096 1.00 0.00 N ATOM 1136 CA ASN A 74 12.712 -6.713 -7.084 1.00 0.00 C ATOM 1137 C ASN A 74 12.005 -6.036 -5.942 1.00 0.00 C ATOM 1138 O ASN A 74 12.261 -6.323 -4.770 1.00 0.00 O ATOM 1139 CB ASN A 74 13.776 -5.786 -7.664 1.00 0.00 C ATOM 1140 CG ASN A 74 14.759 -5.224 -6.636 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.212 -4.087 -6.773 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.117 -5.997 -5.640 1.00 0.00 N ATOM 0 H ASN A 74 11.652 -6.417 -8.862 1.00 0.00 H new ATOM 0 HA ASN A 74 13.207 -7.615 -6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.337 -6.329 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.281 -4.955 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.789 -5.661 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.723 -6.934 -5.555 1.00 0.00 H new ATOM 1149 N LYS A 75 11.100 -5.162 -6.273 1.00 0.00 N ATOM 1150 CA LYS A 75 10.381 -4.458 -5.263 1.00 0.00 C ATOM 1151 C LYS A 75 9.169 -5.195 -4.832 1.00 0.00 C ATOM 1152 O LYS A 75 8.397 -5.656 -5.645 1.00 0.00 O ATOM 1153 CB LYS A 75 10.035 -3.032 -5.656 1.00 0.00 C ATOM 1154 CG LYS A 75 11.077 -2.018 -5.211 1.00 0.00 C ATOM 1155 CD LYS A 75 12.396 -2.159 -5.962 1.00 0.00 C ATOM 1156 CE LYS A 75 12.315 -1.585 -7.365 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.304 -0.109 -7.369 1.00 0.00 N ATOM 0 H LYS A 75 10.846 -4.923 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 75 11.061 -4.392 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.924 -2.977 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.071 -2.766 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.685 -1.012 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.258 -2.135 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.185 -1.651 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.672 -3.212 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.163 -1.941 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.413 -1.954 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.436 0.237 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.393 0.232 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.075 0.246 -6.768 1.00 0.00 H new ATOM 1171 N ARG A 76 8.998 -5.296 -3.561 1.00 0.00 N ATOM 1172 CA ARG A 76 7.841 -5.954 -3.018 1.00 0.00 C ATOM 1173 C ARG A 76 6.723 -4.952 -3.051 1.00 0.00 C ATOM 1174 O ARG A 76 5.617 -5.232 -3.514 1.00 0.00 O ATOM 1175 CB ARG A 76 8.108 -6.443 -1.590 1.00 0.00 C ATOM 1176 CG ARG A 76 6.986 -7.300 -1.031 1.00 0.00 C ATOM 1177 CD ARG A 76 7.332 -7.933 0.316 1.00 0.00 C ATOM 1178 NE ARG A 76 6.197 -8.725 0.811 1.00 0.00 N ATOM 1179 CZ ARG A 76 6.093 -9.325 2.008 1.00 0.00 C ATOM 1180 NH1 ARG A 76 7.136 -9.467 2.806 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.944 -9.864 2.371 1.00 0.00 N ATOM 0 H ARG A 76 9.646 -4.930 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 76 7.584 -6.838 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.035 -7.016 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.257 -5.581 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.090 -6.689 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.747 -8.088 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.211 -8.569 0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.585 -7.156 1.037 1.00 0.00 H new ATOM 0 HE ARG A 76 5.404 -8.830 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.050 -9.117 2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.028 -9.927 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.141 -9.824 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.859 -10.321 3.279 1.00 0.00 H new ATOM 1195 N TRP A 77 7.056 -3.774 -2.618 1.00 0.00 N ATOM 1196 CA TRP A 77 6.179 -2.640 -2.648 1.00 0.00 C ATOM 1197 C TRP A 77 7.014 -1.388 -2.698 1.00 0.00 C ATOM 1198 O TRP A 77 8.237 -1.433 -2.483 1.00 0.00 O ATOM 1199 CB TRP A 77 5.241 -2.588 -1.412 1.00 0.00 C ATOM 1200 CG TRP A 77 5.958 -2.465 -0.082 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.457 -3.470 0.696 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.235 -1.249 0.627 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.067 -2.941 1.811 1.00 0.00 N ATOM 1204 CE2 TRP A 77 6.938 -1.590 1.790 1.00 0.00 C ATOM 1205 CE3 TRP A 77 5.970 0.091 0.375 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.371 -0.640 2.702 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.396 1.029 1.278 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.092 0.661 2.428 1.00 0.00 C ATOM 0 H TRP A 77 7.973 -3.568 -2.222 1.00 0.00 H new ATOM 0 HA TRP A 77 5.546 -2.724 -3.531 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.561 -1.743 -1.523 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.629 -3.490 -1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.384 -4.524 0.470 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.540 -3.479 2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.438 0.388 -0.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.909 -0.923 3.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.189 2.073 1.095 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.417 1.427 3.117 1.00 0.00 H new ATOM 1219 N GLU A 78 6.362 -0.299 -2.963 1.00 0.00 N ATOM 1220 CA GLU A 78 6.974 1.018 -2.932 1.00 0.00 C ATOM 1221 C GLU A 78 5.942 2.008 -2.484 1.00 0.00 C ATOM 1222 O GLU A 78 4.739 1.702 -2.460 1.00 0.00 O ATOM 1223 CB GLU A 78 7.500 1.512 -4.285 1.00 0.00 C ATOM 1224 CG GLU A 78 8.627 0.737 -4.930 1.00 0.00 C ATOM 1225 CD GLU A 78 9.237 1.531 -6.043 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.528 2.333 -6.671 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.448 1.385 -6.306 1.00 0.00 O ATOM 0 H GLU A 78 5.373 -0.286 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 78 7.827 0.933 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.663 1.529 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.832 2.543 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.387 0.500 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.251 -0.211 -5.315 1.00 0.00 H new ATOM 1234 N TYR A 79 6.387 3.187 -2.153 1.00 0.00 N ATOM 1235 CA TYR A 79 5.506 4.248 -1.806 1.00 0.00 C ATOM 1236 C TYR A 79 4.987 4.879 -3.055 1.00 0.00 C ATOM 1237 O TYR A 79 5.566 4.721 -4.131 1.00 0.00 O ATOM 1238 CB TYR A 79 6.199 5.296 -0.958 1.00 0.00 C ATOM 1239 CG TYR A 79 6.451 4.875 0.453 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.440 4.957 1.394 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.692 4.416 0.856 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.652 4.592 2.693 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.914 4.046 2.163 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.887 4.139 3.078 1.00 0.00 C ATOM 1245 OH TYR A 79 7.092 3.759 4.378 1.00 0.00 O ATOM 0 H TYR A 79 7.376 3.433 -2.118 1.00 0.00 H new ATOM 0 HA TYR A 79 4.686 3.834 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.150 5.553 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.592 6.201 -0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.466 5.316 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.495 4.347 0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.850 4.660 3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.885 3.686 2.469 1.00 0.00 H new ATOM 0 HH TYR A 79 6.251 3.432 4.760 1.00 0.00 H new ATOM 1255 N CYS A 80 3.904 5.539 -2.941 1.00 0.00 N ATOM 1256 CA CYS A 80 3.341 6.231 -4.039 1.00 0.00 C ATOM 1257 C CYS A 80 3.449 7.701 -3.716 1.00 0.00 C ATOM 1258 O CYS A 80 3.418 8.078 -2.538 1.00 0.00 O ATOM 1259 CB CYS A 80 1.892 5.837 -4.186 1.00 0.00 C ATOM 1260 SG CYS A 80 1.165 6.196 -5.799 1.00 0.00 S ATOM 0 H CYS A 80 3.373 5.618 -2.074 1.00 0.00 H new ATOM 0 HA CYS A 80 3.854 5.997 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.800 4.768 -3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.312 6.351 -3.420 1.00 0.00 H new ATOM 1265 N ASP A 81 3.605 8.518 -4.704 1.00 0.00 N ATOM 1266 CA ASP A 81 3.736 9.936 -4.455 1.00 0.00 C ATOM 1267 C ASP A 81 2.428 10.634 -4.735 1.00 0.00 C ATOM 1268 O ASP A 81 2.027 10.817 -5.884 1.00 0.00 O ATOM 1269 CB ASP A 81 4.872 10.573 -5.250 1.00 0.00 C ATOM 1270 CG ASP A 81 5.001 12.048 -4.930 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.384 12.384 -3.782 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.689 12.886 -5.787 1.00 0.00 O ATOM 0 H ASP A 81 3.646 8.244 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 81 3.991 10.057 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.809 10.065 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.691 10.444 -6.317 1.00 0.00 H new ATOM 1277 N ILE A 82 1.746 10.961 -3.687 1.00 0.00 N ATOM 1278 CA ILE A 82 0.469 11.600 -3.758 1.00 0.00 C ATOM 1279 C ILE A 82 0.653 13.104 -3.619 1.00 0.00 C ATOM 1280 O ILE A 82 1.494 13.544 -2.819 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.407 11.100 -2.585 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.430 9.567 -2.558 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.830 11.668 -2.649 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.087 8.913 -3.753 1.00 0.00 C ATOM 0 H ILE A 82 2.067 10.788 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.006 11.369 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 82 0.039 11.462 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.596 9.205 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.948 9.243 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.410 11.291 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.790 12.756 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.303 11.361 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.053 7.829 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.125 9.238 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.557 9.200 -4.662 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.164 -5.598 13.406 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.962 -6.094 14.087 1.00 0.00 C ATOM 1496 C ALA B 108 -3.143 -6.972 13.157 1.00 0.00 C ATOM 1497 O ALA B 108 -1.915 -7.113 13.308 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.347 -6.884 15.313 1.00 0.00 C ATOM 0 HA ALA B 108 -3.360 -5.235 14.383 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.447 -7.247 15.810 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.906 -6.245 15.997 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.966 -7.732 15.020 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.819 -7.568 12.218 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.196 -8.409 11.251 1.00 0.00 C ATOM 1506 C GLU B 109 -2.528 -7.568 10.163 1.00 0.00 C ATOM 1507 O GLU B 109 -1.396 -7.862 9.742 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.222 -9.381 10.691 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.685 -10.346 9.676 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.592 -11.514 9.513 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -4.440 -12.488 10.293 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -5.469 -11.494 8.642 1.00 0.00 O ATOM 0 H GLU B 109 -4.829 -7.480 12.105 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.406 -8.995 11.721 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.654 -9.947 11.516 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.032 -8.811 10.237 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.563 -9.840 8.718 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.697 -10.689 9.983 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.202 -6.503 9.751 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.677 -5.596 8.758 1.00 0.00 C ATOM 1521 C LEU B 110 -1.503 -4.842 9.318 1.00 0.00 C ATOM 1522 O LEU B 110 -0.542 -4.563 8.624 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.804 -4.688 8.203 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.488 -3.604 9.054 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -3.626 -2.427 9.316 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -5.759 -3.158 8.384 1.00 0.00 C ATOM 0 H LEU B 110 -4.127 -6.250 10.100 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.299 -6.155 7.902 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.395 -4.185 7.327 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -4.594 -5.352 7.850 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.701 -4.058 10.021 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -4.172 -1.703 9.921 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -2.730 -2.744 9.850 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -3.341 -1.967 8.370 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -6.240 -2.390 8.990 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -5.528 -2.751 7.400 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -6.431 -4.009 8.276 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.592 -4.562 10.595 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.525 -3.927 11.350 1.00 0.00 C ATOM 1540 C GLN B 111 0.739 -4.762 11.289 1.00 0.00 C ATOM 1541 O GLN B 111 1.835 -4.255 11.060 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.948 -3.784 12.797 1.00 0.00 C ATOM 1543 CG GLN B 111 0.047 -3.049 13.651 1.00 0.00 C ATOM 1544 CD GLN B 111 0.356 -1.660 13.143 1.00 0.00 C ATOM 1545 OE1 GLN B 111 1.269 -1.465 12.361 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -0.415 -0.697 13.563 1.00 0.00 N ATOM 0 H GLN B 111 -2.419 -4.770 11.154 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.328 -2.947 10.916 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.903 -3.260 12.836 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.111 -4.776 13.218 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -0.338 -2.979 14.668 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.971 -3.625 13.699 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -1.170 -0.898 14.218 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -0.263 0.257 13.236 1.00 0.00 H new ATOM 1555 N ARG B 112 0.570 -6.050 11.436 1.00 0.00 N ATOM 1556 CA ARG B 112 1.687 -6.959 11.475 1.00 0.00 C ATOM 1557 C ARG B 112 2.281 -7.107 10.079 1.00 0.00 C ATOM 1558 O ARG B 112 3.479 -7.218 9.922 1.00 0.00 O ATOM 1559 CB ARG B 112 1.227 -8.286 12.038 1.00 0.00 C ATOM 1560 CG ARG B 112 2.271 -8.996 12.872 1.00 0.00 C ATOM 1561 CD ARG B 112 1.646 -10.151 13.603 1.00 0.00 C ATOM 1562 NE ARG B 112 2.539 -10.753 14.587 1.00 0.00 N ATOM 1563 CZ ARG B 112 2.207 -11.034 15.861 1.00 0.00 C ATOM 1564 NH1 ARG B 112 1.039 -10.606 16.363 1.00 0.00 N ATOM 1565 NH2 ARG B 112 3.076 -11.667 16.643 1.00 0.00 N ATOM 0 H ARG B 112 -0.341 -6.498 11.532 1.00 0.00 H new ATOM 0 HA ARG B 112 2.471 -6.569 12.124 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.339 -8.122 12.649 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.932 -8.936 11.214 1.00 0.00 H new ATOM 0 HG2 ARG B 112 3.078 -9.353 12.232 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.714 -8.300 13.585 1.00 0.00 H new ATOM 0 HD2 ARG B 112 0.740 -9.810 14.104 1.00 0.00 H new ATOM 0 HD3 ARG B 112 1.345 -10.910 12.881 1.00 0.00 H new ATOM 0 HE ARG B 112 3.487 -10.978 14.287 1.00 0.00 H new ATOM 0 HH11 ARG B 112 0.400 -10.066 15.779 1.00 0.00 H new ATOM 0 HH12 ARG B 112 0.790 -10.820 17.329 1.00 0.00 H new ATOM 0 HH21 ARG B 112 3.989 -11.937 16.277 1.00 0.00 H new ATOM 0 HH22 ARG B 112 2.830 -11.882 17.609 1.00 0.00 H new ATOM 1579 N LEU B 113 1.427 -7.067 9.072 1.00 0.00 N ATOM 1580 CA LEU B 113 1.886 -7.093 7.679 1.00 0.00 C ATOM 1581 C LEU B 113 2.607 -5.793 7.346 1.00 0.00 C ATOM 1582 O LEU B 113 3.588 -5.783 6.603 1.00 0.00 O ATOM 1583 CB LEU B 113 0.714 -7.282 6.703 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.032 -8.614 6.756 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.219 -8.592 5.805 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.902 -9.765 6.403 1.00 0.00 C ATOM 0 H LEU B 113 0.414 -7.017 9.183 1.00 0.00 H new ATOM 0 HA LEU B 113 2.566 -7.938 7.571 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.007 -6.484 6.882 1.00 0.00 H new ATOM 0 HB3 LEU B 113 1.093 -7.147 5.690 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.398 -8.763 7.772 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.741 -9.547 5.853 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -1.900 -7.791 6.092 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -0.867 -8.422 4.788 1.00 0.00 H new ATOM 0 HD21 LEU B 113 0.353 -10.706 6.446 1.00 0.00 H new ATOM 0 HD22 LEU B 113 1.294 -9.620 5.396 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.728 -9.794 7.114 1.00 0.00 H new ATOM 1598 N LYS B 114 2.121 -4.705 7.912 1.00 0.00 N ATOM 1599 CA LYS B 114 2.689 -3.402 7.693 1.00 0.00 C ATOM 1600 C LYS B 114 4.061 -3.322 8.309 1.00 0.00 C ATOM 1601 O LYS B 114 4.999 -2.812 7.700 1.00 0.00 O ATOM 1602 CB LYS B 114 1.814 -2.326 8.309 1.00 0.00 C ATOM 1603 CG LYS B 114 2.218 -0.930 7.899 1.00 0.00 C ATOM 1604 CD LYS B 114 1.352 0.116 8.518 1.00 0.00 C ATOM 1605 CE LYS B 114 1.690 0.371 9.966 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.897 1.484 10.497 1.00 0.00 N ATOM 0 H LYS B 114 1.316 -4.707 8.539 1.00 0.00 H new ATOM 0 HA LYS B 114 2.756 -3.242 6.617 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.778 -2.498 8.019 1.00 0.00 H new ATOM 0 HB3 LYS B 114 1.859 -2.407 9.395 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.255 -0.756 8.185 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.168 -0.844 6.814 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.454 1.045 7.957 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.309 -0.190 8.441 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.501 -0.528 10.552 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.752 0.597 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.017 1.535 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.218 2.375 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.107 1.333 10.273 1.00 0.00 H new ATOM 1620 N ASN B 115 4.173 -3.800 9.521 1.00 0.00 N ATOM 1621 CA ASN B 115 5.435 -3.781 10.246 1.00 0.00 C ATOM 1622 C ASN B 115 6.411 -4.709 9.552 1.00 0.00 C ATOM 1623 O ASN B 115 7.585 -4.398 9.431 1.00 0.00 O ATOM 1624 CB ASN B 115 5.189 -4.087 11.763 1.00 0.00 C ATOM 1625 CG ASN B 115 5.070 -5.549 12.231 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.783 -6.445 11.799 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.136 -5.785 13.122 1.00 0.00 N ATOM 0 H ASN B 115 3.399 -4.214 10.040 1.00 0.00 H new ATOM 0 HA ASN B 115 5.893 -2.792 10.232 1.00 0.00 H new ATOM 0 HB2 ASN B 115 6.003 -3.629 12.325 1.00 0.00 H new ATOM 0 HB3 ASN B 115 4.272 -3.575 12.055 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.991 -6.733 13.470 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.555 -5.021 13.466 1.00 0.00 H new ATOM 1634 N GLU B 116 5.868 -5.793 9.011 1.00 0.00 N ATOM 1635 CA GLU B 116 6.612 -6.739 8.182 1.00 0.00 C ATOM 1636 C GLU B 116 7.200 -6.004 6.998 1.00 0.00 C ATOM 1637 O GLU B 116 8.398 -5.982 6.809 1.00 0.00 O ATOM 1638 CB GLU B 116 5.692 -7.855 7.668 1.00 0.00 C ATOM 1639 CG GLU B 116 6.401 -8.826 6.751 1.00 0.00 C ATOM 1640 CD GLU B 116 5.539 -9.967 6.281 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.826 -10.567 7.090 1.00 0.00 O ATOM 1642 OE2 GLU B 116 5.599 -10.323 5.077 1.00 0.00 O ATOM 0 H GLU B 116 4.887 -6.044 9.136 1.00 0.00 H new ATOM 0 HA GLU B 116 7.402 -7.185 8.786 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.280 -8.400 8.518 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.851 -7.410 7.137 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.773 -8.283 5.882 1.00 0.00 H new ATOM 0 HG3 GLU B 116 7.270 -9.231 7.270 1.00 0.00 H new ATOM 1649 N ARG B 117 6.331 -5.402 6.217 1.00 0.00 N ATOM 1650 CA ARG B 117 6.731 -4.597 5.054 1.00 0.00 C ATOM 1651 C ARG B 117 7.738 -3.519 5.422 1.00 0.00 C ATOM 1652 O ARG B 117 8.637 -3.221 4.645 1.00 0.00 O ATOM 1653 CB ARG B 117 5.572 -3.903 4.383 1.00 0.00 C ATOM 1654 CG ARG B 117 4.548 -4.763 3.686 1.00 0.00 C ATOM 1655 CD ARG B 117 3.606 -3.858 2.904 1.00 0.00 C ATOM 1656 NE ARG B 117 2.902 -2.910 3.772 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.145 -1.583 3.891 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.159 -1.016 3.291 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.359 -0.830 4.591 1.00 0.00 N ATOM 0 H ARG B 117 5.322 -5.449 6.359 1.00 0.00 H new ATOM 0 HA ARG B 117 7.172 -5.321 4.369 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.054 -3.310 5.137 1.00 0.00 H new ATOM 0 HB3 ARG B 117 5.978 -3.205 3.651 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.039 -5.468 3.015 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.990 -5.352 4.414 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.173 -3.308 2.153 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.878 -4.469 2.370 1.00 0.00 H new ATOM 0 HE ARG B 117 2.150 -3.290 4.347 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.790 -1.575 2.717 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.319 -0.014 3.397 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.548 -1.235 5.059 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.550 0.168 4.675 1.00 0.00 H new ATOM 1673 N HIS B 118 7.556 -2.916 6.582 1.00 0.00 N ATOM 1674 CA HIS B 118 8.467 -1.897 7.070 1.00 0.00 C ATOM 1675 C HIS B 118 9.835 -2.489 7.345 1.00 0.00 C ATOM 1676 O HIS B 118 10.859 -1.843 7.088 1.00 0.00 O ATOM 1677 CB HIS B 118 7.888 -1.163 8.289 1.00 0.00 C ATOM 1678 CG HIS B 118 6.942 -0.044 7.949 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.598 -0.202 7.948 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.156 1.257 7.597 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.017 0.919 7.617 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.928 1.823 7.397 1.00 0.00 N ATOM 0 H HIS B 118 6.777 -3.117 7.209 1.00 0.00 H new ATOM 0 HA HIS B 118 8.592 -1.146 6.290 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.367 -1.884 8.918 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.711 -0.760 8.880 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.111 -1.069 8.173 1.00 0.00 H new ATOM 0 HD2 HIS B 118 8.113 1.746 7.496 1.00 0.00 H new ATOM 0 HE1 HIS B 118 3.951 1.072 7.538 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.755 2.790 7.122 1.00 0.00 H new ATOM 1691 N GLU B 119 9.850 -3.719 7.844 1.00 0.00 N ATOM 1692 CA GLU B 119 11.084 -4.464 8.023 1.00 0.00 C ATOM 1693 C GLU B 119 11.679 -4.757 6.650 1.00 0.00 C ATOM 1694 O GLU B 119 12.828 -4.459 6.399 1.00 0.00 O ATOM 1695 CB GLU B 119 10.852 -5.794 8.777 1.00 0.00 C ATOM 1696 CG GLU B 119 10.311 -5.659 10.190 1.00 0.00 C ATOM 1697 CD GLU B 119 11.142 -4.761 11.061 1.00 0.00 C ATOM 1698 OE1 GLU B 119 12.312 -5.091 11.354 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.653 -3.685 11.467 1.00 0.00 O ATOM 0 H GLU B 119 9.012 -4.223 8.133 1.00 0.00 H new ATOM 0 HA GLU B 119 11.766 -3.861 8.623 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.158 -6.404 8.198 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.796 -6.337 8.818 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.293 -5.271 10.146 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.256 -6.647 10.647 1.00 0.00 H new ATOM 1706 N GLU B 120 10.844 -5.295 5.761 1.00 0.00 N ATOM 1707 CA GLU B 120 11.214 -5.642 4.368 1.00 0.00 C ATOM 1708 C GLU B 120 11.889 -4.474 3.668 1.00 0.00 C ATOM 1709 O GLU B 120 12.895 -4.647 2.984 1.00 0.00 O ATOM 1710 CB GLU B 120 9.963 -6.007 3.569 1.00 0.00 C ATOM 1711 CG GLU B 120 9.202 -7.202 4.087 1.00 0.00 C ATOM 1712 CD GLU B 120 9.946 -8.481 3.907 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.820 -9.074 2.828 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.638 -8.942 4.833 1.00 0.00 O ATOM 0 H GLU B 120 9.872 -5.510 5.982 1.00 0.00 H new ATOM 0 HA GLU B 120 11.903 -6.485 4.416 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.294 -5.147 3.557 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.253 -6.200 2.536 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.985 -7.058 5.146 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.244 -7.268 3.572 1.00 0.00 H new ATOM 1721 N ALA B 121 11.330 -3.294 3.847 1.00 0.00 N ATOM 1722 CA ALA B 121 11.856 -2.087 3.243 1.00 0.00 C ATOM 1723 C ALA B 121 13.262 -1.798 3.747 1.00 0.00 C ATOM 1724 O ALA B 121 14.152 -1.453 2.972 1.00 0.00 O ATOM 1725 CB ALA B 121 10.935 -0.911 3.509 1.00 0.00 C ATOM 0 H ALA B 121 10.497 -3.145 4.416 1.00 0.00 H new ATOM 0 HA ALA B 121 11.910 -2.241 2.165 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.348 -0.014 3.047 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.951 -1.117 3.087 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.844 -0.756 4.584 1.00 0.00 H new