USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 60 ASN : amide:sc= -0.364 K(o=-0.71,f=-2.2!) USER MOD Set 1.2: A 102 TYR OH : rot 15:sc= -0.351 USER MOD Set 2.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 TYR OH : rot -154:sc= 0.0376 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0724 K(o=-0.072,f=-0.92) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.108 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc=-0.00113 (180deg=-0.0879) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.8!) USER MOD Single : A 33 MET CE :methyl -157:sc= -0.501 (180deg=-1.55) USER MOD Single : A 34 THR OG1 : rot -58:sc= 0.307 USER MOD Single : A 37 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.0063) USER MOD Single : A 39 CYS SG : rot 140:sc= -0.11 USER MOD Single : A 40 SER OG : rot 38:sc= 1.15 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 20:sc= 0.865 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -67:sc= 0.107 USER MOD Single : A 62 ASN : amide:sc= -0.066 K(o=-0.066,f=-0.77) USER MOD Single : A 64 GLN : amide:sc=-3.5e-05 X(o=-3.5e-05,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.0164 (180deg=-0.21) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 71 THR OG1 : rot -160:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.29) USER MOD Single : A 75 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.5!) USER MOD Single : A 77 MET CE :methyl 162:sc= -0.308 (180deg=-0.987) USER MOD Single : A 78 MET CE :methyl 173:sc= -1.52 (180deg=-1.83) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.569 F(o=-2.5!,f=-0.57) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.4) USER MOD Single : A 95 LYS NZ :NH3+ 134:sc= -0.122 (180deg=-1.19) USER MOD Single : A 97 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -157:sc= -0.258 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.704 -3.631 -13.488 1.00 0.00 N ATOM 186 CA LYS A 16 -1.374 -2.390 -13.119 1.00 0.00 C ATOM 187 C LYS A 16 -0.368 -1.254 -12.965 1.00 0.00 C ATOM 188 O LYS A 16 0.817 -1.489 -12.729 1.00 0.00 O ATOM 189 CB LYS A 16 -2.154 -2.575 -11.816 1.00 0.00 C ATOM 190 CG LYS A 16 -3.155 -3.717 -11.863 1.00 0.00 C ATOM 191 CD LYS A 16 -4.340 -3.384 -12.754 1.00 0.00 C ATOM 192 CE LYS A 16 -5.271 -4.576 -12.911 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.069 -4.823 -11.678 1.00 0.00 N ATOM 0 HA LYS A 16 -2.069 -2.131 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.450 -2.753 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.682 -1.650 -11.584 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.664 -4.618 -12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.507 -3.935 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.891 -2.544 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.982 -3.069 -13.734 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.944 -4.403 -13.751 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.686 -5.465 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.691 -5.643 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.428 -5.013 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.646 -3.985 -11.465 1.00 0.00 H new ATOM 207 N ILE A 17 -0.849 -0.022 -13.098 1.00 0.00 N ATOM 208 CA ILE A 17 0.008 1.150 -12.971 1.00 0.00 C ATOM 209 C ILE A 17 0.128 1.588 -11.515 1.00 0.00 C ATOM 210 O ILE A 17 1.172 2.081 -11.089 1.00 0.00 O ATOM 211 CB ILE A 17 -0.522 2.329 -13.808 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.448 3.510 -13.737 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.905 2.742 -13.325 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.385 4.417 -14.946 1.00 0.00 C ATOM 0 H ILE A 17 -1.827 0.190 -13.294 1.00 0.00 H new ATOM 0 HA ILE A 17 0.991 0.864 -13.344 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.602 2.011 -14.847 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.231 4.094 -12.843 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.464 3.130 -13.631 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.266 3.576 -13.926 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.591 1.900 -13.423 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.850 3.045 -12.280 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.099 5.232 -14.827 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.631 3.847 -15.842 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.621 4.827 -15.041 1.00 0.00 H new ATOM 226 N TRP A 18 -0.946 1.402 -10.757 1.00 0.00 N ATOM 227 CA TRP A 18 -0.961 1.777 -9.348 1.00 0.00 C ATOM 228 C TRP A 18 -0.218 0.747 -8.503 1.00 0.00 C ATOM 229 O TRP A 18 0.198 1.034 -7.381 1.00 0.00 O ATOM 230 CB TRP A 18 -2.401 1.918 -8.851 1.00 0.00 C ATOM 231 CG TRP A 18 -3.302 0.818 -9.323 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.189 0.873 -10.360 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.406 -0.500 -8.774 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.838 -0.331 -10.489 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.375 -1.191 -9.528 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.774 -1.165 -7.720 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.725 -2.511 -9.259 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.122 -2.476 -7.454 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.090 -3.138 -8.222 1.00 0.00 C ATOM 0 H TRP A 18 -1.818 0.994 -11.094 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.454 2.737 -9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.402 1.936 -7.761 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.801 2.875 -9.186 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.356 1.737 -10.987 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.549 -0.549 -11.187 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.026 -0.663 -7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.472 -3.022 -9.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.640 -2.999 -6.641 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.339 -4.163 -7.991 1.00 0.00 H new ATOM 250 N PHE A 19 -0.054 -0.453 -9.050 1.00 0.00 N ATOM 251 CA PHE A 19 0.639 -1.526 -8.346 1.00 0.00 C ATOM 252 C PHE A 19 2.151 -1.384 -8.492 1.00 0.00 C ATOM 253 O PHE A 19 2.641 -0.789 -9.452 1.00 0.00 O ATOM 254 CB PHE A 19 0.190 -2.888 -8.879 1.00 0.00 C ATOM 255 CG PHE A 19 0.752 -4.048 -8.108 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.387 -4.262 -6.789 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.645 -4.925 -8.703 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.903 -5.329 -6.077 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.164 -5.993 -7.997 1.00 0.00 C ATOM 260 CZ PHE A 19 1.792 -6.196 -6.682 1.00 0.00 C ATOM 0 H PHE A 19 -0.391 -0.707 -9.978 1.00 0.00 H new ATOM 0 HA PHE A 19 0.385 -1.456 -7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.899 -2.938 -8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.489 -2.977 -9.923 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.308 -3.588 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.939 -4.772 -9.731 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.611 -5.484 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.860 -6.668 -8.472 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.195 -7.031 -6.128 1.00 0.00 H new ATOM 270 N HIS A 20 2.887 -1.935 -7.531 1.00 0.00 N ATOM 271 CA HIS A 20 4.344 -1.870 -7.551 1.00 0.00 C ATOM 272 C HIS A 20 4.951 -3.071 -6.832 1.00 0.00 C ATOM 273 O HIS A 20 4.833 -3.203 -5.615 1.00 0.00 O ATOM 274 CB HIS A 20 4.827 -0.574 -6.901 1.00 0.00 C ATOM 275 CG HIS A 20 4.725 0.621 -7.798 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.717 0.983 -8.685 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.740 1.538 -7.943 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.347 2.071 -9.336 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.151 2.428 -8.905 1.00 0.00 N ATOM 0 H HIS A 20 2.498 -2.431 -6.729 1.00 0.00 H new ATOM 0 HA HIS A 20 4.670 -1.889 -8.591 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.244 -0.391 -5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.865 -0.698 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.805 1.565 -7.403 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.924 2.582 -10.092 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.619 3.234 -9.233 1.00 0.00 H new ATOM 287 N GLY A 21 5.600 -3.945 -7.595 1.00 0.00 N ATOM 288 CA GLY A 21 6.215 -5.124 -7.014 1.00 0.00 C ATOM 289 C GLY A 21 7.700 -5.209 -7.308 1.00 0.00 C ATOM 290 O GLY A 21 8.424 -5.976 -6.673 1.00 0.00 O ATOM 0 H GLY A 21 5.711 -3.858 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.061 -5.116 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.720 -6.015 -7.399 1.00 0.00 H new ATOM 294 N LYS A 22 8.155 -4.420 -8.275 1.00 0.00 N ATOM 295 CA LYS A 22 9.563 -4.408 -8.654 1.00 0.00 C ATOM 296 C LYS A 22 10.391 -3.615 -7.648 1.00 0.00 C ATOM 297 O LYS A 22 11.370 -4.122 -7.099 1.00 0.00 O ATOM 298 CB LYS A 22 9.731 -3.810 -10.053 1.00 0.00 C ATOM 299 CG LYS A 22 8.815 -4.430 -11.093 1.00 0.00 C ATOM 300 CD LYS A 22 9.456 -5.640 -11.751 1.00 0.00 C ATOM 301 CE LYS A 22 9.134 -6.921 -10.996 1.00 0.00 C ATOM 302 NZ LYS A 22 7.873 -7.547 -11.478 1.00 0.00 N ATOM 0 H LYS A 22 7.569 -3.780 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 22 9.920 -5.438 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.540 -2.738 -10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.766 -3.936 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.877 -4.725 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.571 -3.688 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.105 -5.725 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.537 -5.503 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.957 -7.627 -11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.047 -6.703 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.689 -8.417 -10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.083 -6.884 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.964 -7.779 -12.488 1.00 0.00 H new ATOM 316 N ILE A 23 9.991 -2.371 -7.409 1.00 0.00 N ATOM 317 CA ILE A 23 10.694 -1.510 -6.466 1.00 0.00 C ATOM 318 C ILE A 23 10.748 -2.142 -5.079 1.00 0.00 C ATOM 319 O ILE A 23 10.194 -3.218 -4.854 1.00 0.00 O ATOM 320 CB ILE A 23 10.028 -0.126 -6.363 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.650 -0.247 -5.709 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.912 0.511 -7.739 1.00 0.00 C ATOM 323 CD1 ILE A 23 8.132 1.058 -5.145 1.00 0.00 C ATOM 0 H ILE A 23 9.183 -1.936 -7.856 1.00 0.00 H new ATOM 0 HA ILE A 23 11.708 -1.388 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 23 10.651 0.515 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.939 -0.623 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.700 -0.985 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.439 1.489 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.906 0.627 -8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.308 -0.126 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.151 0.897 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.822 1.425 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.049 1.793 -5.946 1.00 0.00 H new ATOM 335 N SER A 24 11.417 -1.464 -4.152 1.00 0.00 N ATOM 336 CA SER A 24 11.544 -1.960 -2.787 1.00 0.00 C ATOM 337 C SER A 24 10.735 -1.101 -1.819 1.00 0.00 C ATOM 338 O SER A 24 10.134 -0.101 -2.212 1.00 0.00 O ATOM 339 CB SER A 24 13.014 -1.977 -2.363 1.00 0.00 C ATOM 340 OG SER A 24 13.179 -2.632 -1.117 1.00 0.00 O ATOM 0 H SER A 24 11.879 -0.571 -4.321 1.00 0.00 H new ATOM 0 HA SER A 24 11.152 -2.977 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.609 -2.482 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.387 -0.955 -2.292 1.00 0.00 H new ATOM 0 HG SER A 24 14.127 -2.631 -0.870 1.00 0.00 H new ATOM 346 N LYS A 25 10.724 -1.499 -0.552 1.00 0.00 N ATOM 347 CA LYS A 25 9.991 -0.768 0.474 1.00 0.00 C ATOM 348 C LYS A 25 10.583 0.623 0.679 1.00 0.00 C ATOM 349 O LYS A 25 9.876 1.558 1.054 1.00 0.00 O ATOM 350 CB LYS A 25 10.010 -1.542 1.794 1.00 0.00 C ATOM 351 CG LYS A 25 9.781 -0.668 3.015 1.00 0.00 C ATOM 352 CD LYS A 25 9.102 -1.440 4.134 1.00 0.00 C ATOM 353 CE LYS A 25 8.936 -0.585 5.381 1.00 0.00 C ATOM 354 NZ LYS A 25 10.243 -0.300 6.036 1.00 0.00 N ATOM 0 H LYS A 25 11.215 -2.325 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 25 8.959 -0.659 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.243 -2.316 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.970 -2.048 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.735 -0.278 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.168 0.190 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.125 -1.787 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.690 -2.326 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.450 0.354 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.280 -1.095 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.078 0.152 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.763 -1.190 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.802 0.337 5.433 1.00 0.00 H new ATOM 368 N GLN A 26 11.882 0.750 0.430 1.00 0.00 N ATOM 369 CA GLN A 26 12.568 2.027 0.588 1.00 0.00 C ATOM 370 C GLN A 26 12.291 2.944 -0.600 1.00 0.00 C ATOM 371 O GLN A 26 12.037 4.135 -0.429 1.00 0.00 O ATOM 372 CB GLN A 26 14.074 1.807 0.737 1.00 0.00 C ATOM 373 CG GLN A 26 14.446 0.928 1.920 1.00 0.00 C ATOM 374 CD GLN A 26 14.668 1.723 3.191 1.00 0.00 C ATOM 375 OE1 GLN A 26 13.716 2.162 3.837 1.00 0.00 O ATOM 376 NE2 GLN A 26 15.930 1.913 3.558 1.00 0.00 N ATOM 0 H GLN A 26 12.480 -0.015 0.118 1.00 0.00 H new ATOM 0 HA GLN A 26 12.188 2.506 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.459 1.354 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.565 2.774 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.655 0.197 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.352 0.370 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.688 1.531 2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.141 2.441 4.405 1.00 0.00 H new ATOM 385 N GLU A 27 12.343 2.378 -1.802 1.00 0.00 N ATOM 386 CA GLU A 27 12.099 3.146 -3.017 1.00 0.00 C ATOM 387 C GLU A 27 10.697 3.750 -3.007 1.00 0.00 C ATOM 388 O GLU A 27 10.499 4.891 -3.422 1.00 0.00 O ATOM 389 CB GLU A 27 12.275 2.258 -4.251 1.00 0.00 C ATOM 390 CG GLU A 27 13.727 2.043 -4.644 1.00 0.00 C ATOM 391 CD GLU A 27 14.663 2.069 -3.452 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.484 1.236 -2.539 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.575 2.922 -3.432 1.00 0.00 O ATOM 0 H GLU A 27 12.552 1.392 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 27 12.825 3.958 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.812 1.290 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.743 2.707 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.823 1.086 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.026 2.815 -5.353 1.00 0.00 H new ATOM 400 N ALA A 28 9.729 2.975 -2.531 1.00 0.00 N ATOM 401 CA ALA A 28 8.347 3.433 -2.465 1.00 0.00 C ATOM 402 C ALA A 28 8.239 4.743 -1.692 1.00 0.00 C ATOM 403 O ALA A 28 7.409 5.595 -2.010 1.00 0.00 O ATOM 404 CB ALA A 28 7.467 2.367 -1.826 1.00 0.00 C ATOM 0 H ALA A 28 9.876 2.027 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 28 8.001 3.612 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.438 2.723 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.511 1.454 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.822 2.160 -0.816 1.00 0.00 H new ATOM 410 N TYR A 29 9.081 4.897 -0.677 1.00 0.00 N ATOM 411 CA TYR A 29 9.078 6.103 0.143 1.00 0.00 C ATOM 412 C TYR A 29 9.449 7.327 -0.688 1.00 0.00 C ATOM 413 O TYR A 29 8.726 8.323 -0.704 1.00 0.00 O ATOM 414 CB TYR A 29 10.052 5.952 1.312 1.00 0.00 C ATOM 415 CG TYR A 29 9.435 5.314 2.536 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.617 6.047 3.388 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.670 3.980 2.842 1.00 0.00 C ATOM 418 CE1 TYR A 29 8.051 5.469 4.508 1.00 0.00 C ATOM 419 CE2 TYR A 29 9.107 3.393 3.959 1.00 0.00 C ATOM 420 CZ TYR A 29 8.299 4.142 4.789 1.00 0.00 C ATOM 421 OH TYR A 29 7.738 3.562 5.903 1.00 0.00 O ATOM 0 H TYR A 29 9.775 4.202 -0.402 1.00 0.00 H new ATOM 0 HA TYR A 29 8.070 6.244 0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.903 5.352 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.439 6.935 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.420 7.086 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.304 3.391 2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.418 6.053 5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.299 2.354 4.181 1.00 0.00 H new ATOM 0 HH TYR A 29 8.011 2.622 5.955 1.00 0.00 H new ATOM 431 N ASN A 30 10.581 7.245 -1.379 1.00 0.00 N ATOM 432 CA ASN A 30 11.050 8.346 -2.213 1.00 0.00 C ATOM 433 C ASN A 30 10.114 8.568 -3.397 1.00 0.00 C ATOM 434 O ASN A 30 9.806 9.705 -3.755 1.00 0.00 O ATOM 435 CB ASN A 30 12.468 8.065 -2.715 1.00 0.00 C ATOM 436 CG ASN A 30 13.465 7.925 -1.581 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.085 7.818 -0.415 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.749 7.925 -1.920 1.00 0.00 N ATOM 0 H ASN A 30 11.191 6.427 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 30 11.060 9.251 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.466 7.151 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.784 8.873 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.466 7.834 -1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.018 8.016 -2.900 1.00 0.00 H new ATOM 445 N LEU A 31 9.663 7.474 -4.001 1.00 0.00 N ATOM 446 CA LEU A 31 8.761 7.547 -5.145 1.00 0.00 C ATOM 447 C LEU A 31 7.583 8.470 -4.851 1.00 0.00 C ATOM 448 O LEU A 31 7.363 9.458 -5.553 1.00 0.00 O ATOM 449 CB LEU A 31 8.252 6.152 -5.509 1.00 0.00 C ATOM 450 CG LEU A 31 9.180 5.305 -6.382 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.739 3.850 -6.374 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.214 5.846 -7.804 1.00 0.00 C ATOM 0 H LEU A 31 9.907 6.525 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 31 9.317 7.955 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.056 5.606 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.298 6.258 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 31 10.187 5.360 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.411 3.263 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.766 3.467 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.723 3.776 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.879 5.232 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.210 5.821 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.578 6.873 -7.794 1.00 0.00 H new ATOM 464 N LEU A 32 6.829 8.143 -3.807 1.00 0.00 N ATOM 465 CA LEU A 32 5.673 8.944 -3.417 1.00 0.00 C ATOM 466 C LEU A 32 6.100 10.346 -2.995 1.00 0.00 C ATOM 467 O LEU A 32 5.268 11.242 -2.854 1.00 0.00 O ATOM 468 CB LEU A 32 4.918 8.263 -2.274 1.00 0.00 C ATOM 469 CG LEU A 32 3.928 7.171 -2.681 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.571 6.302 -1.485 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.676 7.786 -3.289 1.00 0.00 C ATOM 0 H LEU A 32 6.997 7.329 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 32 5.013 9.029 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.648 7.828 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.376 9.027 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 32 4.401 6.540 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.866 5.530 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.474 5.833 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.117 6.919 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.983 6.994 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.200 8.440 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.947 8.365 -4.172 1.00 0.00 H new ATOM 483 N MET A 33 7.402 10.529 -2.798 1.00 0.00 N ATOM 484 CA MET A 33 7.939 11.824 -2.396 1.00 0.00 C ATOM 485 C MET A 33 8.625 12.516 -3.570 1.00 0.00 C ATOM 486 O MET A 33 8.972 13.695 -3.492 1.00 0.00 O ATOM 487 CB MET A 33 8.927 11.654 -1.241 1.00 0.00 C ATOM 488 CG MET A 33 8.257 11.395 0.099 1.00 0.00 C ATOM 489 SD MET A 33 7.172 12.743 0.604 1.00 0.00 S ATOM 490 CE MET A 33 8.234 14.157 0.321 1.00 0.00 C ATOM 0 H MET A 33 8.104 9.797 -2.910 1.00 0.00 H new ATOM 0 HA MET A 33 7.108 12.447 -2.065 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.599 10.827 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.541 12.551 -1.164 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.680 10.472 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.022 11.245 0.861 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.901 14.992 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.260 13.899 0.583 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.188 14.442 -0.730 1.00 0.00 H new ATOM 500 N THR A 34 8.818 11.776 -4.657 1.00 0.00 N ATOM 501 CA THR A 34 9.464 12.318 -5.846 1.00 0.00 C ATOM 502 C THR A 34 8.495 12.372 -7.021 1.00 0.00 C ATOM 503 O THR A 34 8.170 13.449 -7.522 1.00 0.00 O ATOM 504 CB THR A 34 10.694 11.482 -6.247 1.00 0.00 C ATOM 505 OG1 THR A 34 10.358 10.090 -6.257 1.00 0.00 O ATOM 506 CG2 THR A 34 11.849 11.724 -5.288 1.00 0.00 C ATOM 0 H THR A 34 8.536 10.799 -4.739 1.00 0.00 H new ATOM 0 HA THR A 34 9.787 13.329 -5.598 1.00 0.00 H new ATOM 0 HB THR A 34 11.003 11.787 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.032 9.826 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.706 11.123 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.121 12.779 -5.306 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.549 11.444 -4.278 1.00 0.00 H new ATOM 514 N VAL A 35 8.034 11.204 -7.458 1.00 0.00 N ATOM 515 CA VAL A 35 7.100 11.119 -8.574 1.00 0.00 C ATOM 516 C VAL A 35 5.661 11.292 -8.101 1.00 0.00 C ATOM 517 O VAL A 35 4.785 11.676 -8.874 1.00 0.00 O ATOM 518 CB VAL A 35 7.228 9.772 -9.311 1.00 0.00 C ATOM 519 CG1 VAL A 35 8.640 9.588 -9.846 1.00 0.00 C ATOM 520 CG2 VAL A 35 6.844 8.623 -8.391 1.00 0.00 C ATOM 0 H VAL A 35 8.293 10.303 -7.056 1.00 0.00 H new ATOM 0 HA VAL A 35 7.353 11.927 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 35 6.542 9.774 -10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.711 8.631 -10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.874 10.395 -10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.348 9.606 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.940 7.679 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.504 8.616 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.813 8.750 -8.062 1.00 0.00 H new ATOM 530 N GLY A 36 5.425 11.007 -6.824 1.00 0.00 N ATOM 531 CA GLY A 36 4.091 11.138 -6.269 1.00 0.00 C ATOM 532 C GLY A 36 3.866 12.486 -5.613 1.00 0.00 C ATOM 533 O GLY A 36 4.815 13.137 -5.177 1.00 0.00 O ATOM 0 H GLY A 36 6.134 10.688 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.356 10.995 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.927 10.348 -5.536 1.00 0.00 H new ATOM 537 N GLN A 37 2.606 12.906 -5.544 1.00 0.00 N ATOM 538 CA GLN A 37 2.261 14.186 -4.939 1.00 0.00 C ATOM 539 C GLN A 37 1.396 13.986 -3.698 1.00 0.00 C ATOM 540 O GLN A 37 1.147 12.856 -3.278 1.00 0.00 O ATOM 541 CB GLN A 37 1.527 15.070 -5.949 1.00 0.00 C ATOM 542 CG GLN A 37 2.457 15.892 -6.827 1.00 0.00 C ATOM 543 CD GLN A 37 2.994 17.120 -6.119 1.00 0.00 C ATOM 544 OE1 GLN A 37 2.443 18.214 -6.245 1.00 0.00 O ATOM 545 NE2 GLN A 37 4.076 16.946 -5.369 1.00 0.00 N ATOM 0 H GLN A 37 1.809 12.378 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 37 3.186 14.679 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.903 14.441 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.859 15.743 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.291 15.269 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.924 16.200 -7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.500 16.022 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.483 17.737 -4.869 1.00 0.00 H new ATOM 554 N VAL A 38 0.942 15.091 -3.115 1.00 0.00 N ATOM 555 CA VAL A 38 0.105 15.037 -1.922 1.00 0.00 C ATOM 556 C VAL A 38 -1.236 14.376 -2.221 1.00 0.00 C ATOM 557 O VAL A 38 -2.040 14.144 -1.318 1.00 0.00 O ATOM 558 CB VAL A 38 -0.145 16.444 -1.348 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.064 16.372 -0.138 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.172 17.114 -0.988 1.00 0.00 C ATOM 0 H VAL A 38 1.140 16.034 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 38 0.643 14.442 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.636 17.047 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.229 17.376 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.019 15.936 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.604 15.753 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.976 18.107 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.693 16.515 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.792 17.201 -1.880 1.00 0.00 H new ATOM 570 N CYS A 39 -1.470 14.076 -3.494 1.00 0.00 N ATOM 571 CA CYS A 39 -2.715 13.441 -3.913 1.00 0.00 C ATOM 572 C CYS A 39 -2.436 12.205 -4.762 1.00 0.00 C ATOM 573 O CYS A 39 -3.112 11.960 -5.761 1.00 0.00 O ATOM 574 CB CYS A 39 -3.576 14.431 -4.699 1.00 0.00 C ATOM 575 SG CYS A 39 -3.505 16.127 -4.077 1.00 0.00 S ATOM 0 H CYS A 39 -0.815 14.262 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.255 13.130 -3.019 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.258 14.424 -5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.611 14.091 -4.679 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.473 16.955 -5.078 1.00 0.00 H new ATOM 581 N SER A 40 -1.434 11.430 -4.359 1.00 0.00 N ATOM 582 CA SER A 40 -1.061 10.222 -5.086 1.00 0.00 C ATOM 583 C SER A 40 -0.847 9.055 -4.126 1.00 0.00 C ATOM 584 O SER A 40 -0.464 9.248 -2.972 1.00 0.00 O ATOM 585 CB SER A 40 0.209 10.465 -5.903 1.00 0.00 C ATOM 586 OG SER A 40 0.309 9.543 -6.975 1.00 0.00 O ATOM 0 H SER A 40 -0.866 11.617 -3.533 1.00 0.00 H new ATOM 0 HA SER A 40 -1.877 9.968 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.205 11.483 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.083 10.374 -5.258 1.00 0.00 H new ATOM 0 HG SER A 40 -0.580 9.387 -7.356 1.00 0.00 H new ATOM 592 N PHE A 41 -1.097 7.844 -4.613 1.00 0.00 N ATOM 593 CA PHE A 41 -0.933 6.645 -3.800 1.00 0.00 C ATOM 594 C PHE A 41 -0.516 5.457 -4.661 1.00 0.00 C ATOM 595 O PHE A 41 -0.347 5.584 -5.875 1.00 0.00 O ATOM 596 CB PHE A 41 -2.234 6.322 -3.061 1.00 0.00 C ATOM 597 CG PHE A 41 -3.221 5.554 -3.893 1.00 0.00 C ATOM 598 CD1 PHE A 41 -4.121 6.218 -4.711 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.248 4.169 -3.858 1.00 0.00 C ATOM 600 CE1 PHE A 41 -5.031 5.513 -5.477 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.155 3.460 -4.622 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.047 4.133 -5.434 1.00 0.00 C ATOM 0 H PHE A 41 -1.414 7.667 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.146 6.836 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.000 5.747 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.696 7.253 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.112 7.297 -4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.552 3.637 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.729 6.042 -6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.167 2.381 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.755 3.581 -6.034 1.00 0.00 H new ATOM 612 N LEU A 42 -0.350 4.302 -4.025 1.00 0.00 N ATOM 613 CA LEU A 42 0.048 3.090 -4.732 1.00 0.00 C ATOM 614 C LEU A 42 -0.241 1.850 -3.892 1.00 0.00 C ATOM 615 O LEU A 42 -0.593 1.951 -2.716 1.00 0.00 O ATOM 616 CB LEU A 42 1.535 3.146 -5.084 1.00 0.00 C ATOM 617 CG LEU A 42 2.488 3.451 -3.927 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.931 2.165 -3.247 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.693 4.237 -4.422 1.00 0.00 C ATOM 0 H LEU A 42 -0.485 4.180 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.534 3.028 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.821 2.189 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.677 3.904 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 42 1.957 4.060 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.608 2.402 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.059 1.640 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.444 1.530 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.360 4.445 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.224 3.653 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.359 5.177 -4.862 1.00 0.00 H new ATOM 631 N VAL A 43 -0.087 0.679 -4.502 1.00 0.00 N ATOM 632 CA VAL A 43 -0.328 -0.582 -3.809 1.00 0.00 C ATOM 633 C VAL A 43 0.854 -1.532 -3.971 1.00 0.00 C ATOM 634 O VAL A 43 1.432 -1.640 -5.052 1.00 0.00 O ATOM 635 CB VAL A 43 -1.603 -1.272 -4.328 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.838 -2.582 -3.590 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.803 -0.349 -4.187 1.00 0.00 C ATOM 0 H VAL A 43 0.203 0.577 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.457 -0.344 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.469 -1.497 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.743 -3.056 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.988 -3.246 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.952 -2.384 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.695 -0.853 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.942 -0.091 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.633 0.560 -4.764 1.00 0.00 H new ATOM 647 N ARG A 44 1.206 -2.219 -2.889 1.00 0.00 N ATOM 648 CA ARG A 44 2.319 -3.160 -2.911 1.00 0.00 C ATOM 649 C ARG A 44 2.016 -4.380 -2.046 1.00 0.00 C ATOM 650 O ARG A 44 1.308 -4.300 -1.042 1.00 0.00 O ATOM 651 CB ARG A 44 3.599 -2.480 -2.421 1.00 0.00 C ATOM 652 CG ARG A 44 3.771 -1.061 -2.938 1.00 0.00 C ATOM 653 CD ARG A 44 4.989 -0.389 -2.324 1.00 0.00 C ATOM 654 NE ARG A 44 5.239 -0.848 -0.960 1.00 0.00 N ATOM 655 CZ ARG A 44 5.927 -1.946 -0.668 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.432 -2.694 -1.640 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.111 -2.298 0.598 1.00 0.00 N ATOM 0 H ARG A 44 0.737 -2.141 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 44 2.462 -3.491 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.597 -2.463 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.458 -3.076 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.871 -1.078 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.879 -0.478 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.864 -0.592 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.844 0.691 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 44 4.865 -0.295 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.292 -2.426 -2.614 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.960 -3.537 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.724 -1.725 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.639 -3.141 0.821 1.00 0.00 H new ATOM 671 N PRO A 45 2.563 -5.539 -2.445 1.00 0.00 N ATOM 672 CA PRO A 45 2.365 -6.798 -1.721 1.00 0.00 C ATOM 673 C PRO A 45 3.079 -6.811 -0.374 1.00 0.00 C ATOM 674 O PRO A 45 4.297 -6.646 -0.305 1.00 0.00 O ATOM 675 CB PRO A 45 2.972 -7.845 -2.658 1.00 0.00 C ATOM 676 CG PRO A 45 3.974 -7.095 -3.466 1.00 0.00 C ATOM 677 CD PRO A 45 3.417 -5.708 -3.632 1.00 0.00 C ATOM 0 HA PRO A 45 1.315 -6.973 -1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.441 -8.654 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.210 -8.297 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.941 -7.070 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.130 -7.571 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.208 -4.959 -3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.845 -5.612 -4.555 1.00 0.00 H new ATOM 685 N SER A 46 2.314 -7.008 0.695 1.00 0.00 N ATOM 686 CA SER A 46 2.874 -7.039 2.041 1.00 0.00 C ATOM 687 C SER A 46 3.753 -8.271 2.235 1.00 0.00 C ATOM 688 O SER A 46 3.575 -9.286 1.562 1.00 0.00 O ATOM 689 CB SER A 46 1.753 -7.029 3.083 1.00 0.00 C ATOM 690 OG SER A 46 2.243 -6.641 4.355 1.00 0.00 O ATOM 0 H SER A 46 1.305 -7.149 0.655 1.00 0.00 H new ATOM 0 HA SER A 46 3.490 -6.150 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.966 -6.344 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.305 -8.020 3.149 1.00 0.00 H new ATOM 0 HG SER A 46 1.508 -6.641 5.003 1.00 0.00 H new ATOM 757 N ASP A 52 -0.858 -10.503 1.973 1.00 0.00 N ATOM 758 CA ASP A 52 -1.491 -9.254 2.382 1.00 0.00 C ATOM 759 C ASP A 52 -1.049 -8.102 1.484 1.00 0.00 C ATOM 760 O ASP A 52 -0.076 -8.220 0.739 1.00 0.00 O ATOM 761 CB ASP A 52 -1.153 -8.939 3.840 1.00 0.00 C ATOM 762 CG ASP A 52 -2.128 -9.576 4.810 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.462 -10.764 4.622 1.00 0.00 O ATOM 764 OD2 ASP A 52 -2.558 -8.886 5.758 1.00 0.00 O ATOM 0 HA ASP A 52 -2.570 -9.374 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.145 -9.289 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.154 -7.859 3.985 1.00 0.00 H new ATOM 769 N TYR A 53 -1.771 -6.990 1.560 1.00 0.00 N ATOM 770 CA TYR A 53 -1.456 -5.817 0.753 1.00 0.00 C ATOM 771 C TYR A 53 -1.365 -4.566 1.621 1.00 0.00 C ATOM 772 O TYR A 53 -1.854 -4.543 2.750 1.00 0.00 O ATOM 773 CB TYR A 53 -2.515 -5.621 -0.334 1.00 0.00 C ATOM 774 CG TYR A 53 -2.389 -6.595 -1.484 1.00 0.00 C ATOM 775 CD1 TYR A 53 -1.369 -6.469 -2.419 1.00 0.00 C ATOM 776 CD2 TYR A 53 -3.291 -7.641 -1.637 1.00 0.00 C ATOM 777 CE1 TYR A 53 -1.250 -7.356 -3.471 1.00 0.00 C ATOM 778 CE2 TYR A 53 -3.180 -8.533 -2.685 1.00 0.00 C ATOM 779 CZ TYR A 53 -2.158 -8.386 -3.600 1.00 0.00 C ATOM 780 OH TYR A 53 -2.044 -9.272 -4.647 1.00 0.00 O ATOM 0 H TYR A 53 -2.579 -6.876 2.172 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.487 -5.981 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.504 -5.724 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.443 -4.604 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.657 -5.663 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.093 -7.758 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.451 -7.244 -4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.889 -9.341 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.761 -9.938 -4.592 1.00 0.00 H new ATOM 790 N SER A 54 -0.735 -3.526 1.084 1.00 0.00 N ATOM 791 CA SER A 54 -0.575 -2.271 1.809 1.00 0.00 C ATOM 792 C SER A 54 -0.762 -1.078 0.878 1.00 0.00 C ATOM 793 O SER A 54 -0.517 -1.170 -0.326 1.00 0.00 O ATOM 794 CB SER A 54 0.805 -2.209 2.466 1.00 0.00 C ATOM 795 OG SER A 54 0.798 -1.340 3.586 1.00 0.00 O ATOM 0 H SER A 54 -0.327 -3.528 0.149 1.00 0.00 H new ATOM 0 HA SER A 54 -1.340 -2.228 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.107 -3.208 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.542 -1.866 1.740 1.00 0.00 H new ATOM 0 HG SER A 54 -0.123 -1.217 3.899 1.00 0.00 H new ATOM 801 N LEU A 55 -1.198 0.043 1.442 1.00 0.00 N ATOM 802 CA LEU A 55 -1.419 1.257 0.663 1.00 0.00 C ATOM 803 C LEU A 55 -0.572 2.408 1.197 1.00 0.00 C ATOM 804 O LEU A 55 -0.405 2.559 2.408 1.00 0.00 O ATOM 805 CB LEU A 55 -2.899 1.642 0.691 1.00 0.00 C ATOM 806 CG LEU A 55 -3.381 2.538 -0.450 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.768 1.700 -1.659 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.553 3.396 0.003 1.00 0.00 C ATOM 0 H LEU A 55 -1.406 0.137 2.436 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.121 1.058 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.492 0.727 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.105 2.147 1.635 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.563 3.199 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.109 2.354 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.903 1.130 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.570 1.014 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.882 4.027 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.375 2.753 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.243 4.024 0.838 1.00 0.00 H new ATOM 820 N TYR A 56 -0.043 3.217 0.287 1.00 0.00 N ATOM 821 CA TYR A 56 0.787 4.355 0.666 1.00 0.00 C ATOM 822 C TYR A 56 0.255 5.646 0.051 1.00 0.00 C ATOM 823 O TYR A 56 0.187 5.784 -1.170 1.00 0.00 O ATOM 824 CB TYR A 56 2.234 4.126 0.227 1.00 0.00 C ATOM 825 CG TYR A 56 2.917 2.992 0.957 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.570 1.670 0.708 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.908 3.242 1.898 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.190 0.630 1.373 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.535 2.209 2.567 1.00 0.00 C ATOM 830 CZ TYR A 56 4.172 0.905 2.302 1.00 0.00 C ATOM 831 OH TYR A 56 4.793 -0.127 2.967 1.00 0.00 O ATOM 0 H TYR A 56 -0.174 3.107 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 56 0.755 4.451 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.252 3.921 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.802 5.043 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.802 1.451 -0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.193 4.262 2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.908 -0.392 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.305 2.421 3.294 1.00 0.00 H new ATOM 0 HH TYR A 56 5.460 0.237 3.585 1.00 0.00 H new ATOM 841 N PHE A 57 -0.121 6.590 0.908 1.00 0.00 N ATOM 842 CA PHE A 57 -0.648 7.870 0.451 1.00 0.00 C ATOM 843 C PHE A 57 0.169 9.028 1.018 1.00 0.00 C ATOM 844 O PHE A 57 0.716 8.935 2.117 1.00 0.00 O ATOM 845 CB PHE A 57 -2.115 8.018 0.859 1.00 0.00 C ATOM 846 CG PHE A 57 -2.757 9.275 0.346 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.735 9.577 -1.006 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.382 10.154 1.215 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.325 10.732 -1.483 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.975 11.311 0.744 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.945 11.601 -0.606 1.00 0.00 C ATOM 0 H PHE A 57 -0.070 6.492 1.922 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.577 7.896 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.674 7.158 0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.185 8.002 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.251 8.901 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.406 9.933 2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.301 10.955 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.461 11.987 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.405 12.505 -0.975 1.00 0.00 H new ATOM 861 N ARG A 58 0.246 10.117 0.260 1.00 0.00 N ATOM 862 CA ARG A 58 0.997 11.292 0.686 1.00 0.00 C ATOM 863 C ARG A 58 0.055 12.427 1.077 1.00 0.00 C ATOM 864 O ARG A 58 -0.769 12.869 0.276 1.00 0.00 O ATOM 865 CB ARG A 58 1.935 11.756 -0.430 1.00 0.00 C ATOM 866 CG ARG A 58 2.574 13.109 -0.165 1.00 0.00 C ATOM 867 CD ARG A 58 3.821 12.978 0.694 1.00 0.00 C ATOM 868 NE ARG A 58 4.224 14.257 1.273 1.00 0.00 N ATOM 869 CZ ARG A 58 4.966 15.153 0.631 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.383 14.911 -0.604 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.291 16.294 1.225 1.00 0.00 N ATOM 0 H ARG A 58 -0.202 10.210 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 58 1.589 11.017 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.721 11.013 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.377 11.804 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.832 13.583 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.855 13.761 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.637 12.260 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.637 12.580 0.090 1.00 0.00 H new ATOM 0 HE ARG A 58 3.919 14.474 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.134 14.035 -1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.952 15.601 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.971 16.484 2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.861 16.982 0.732 1.00 0.00 H new ATOM 885 N THR A 59 0.182 12.894 2.315 1.00 0.00 N ATOM 886 CA THR A 59 -0.658 13.976 2.814 1.00 0.00 C ATOM 887 C THR A 59 0.176 15.201 3.171 1.00 0.00 C ATOM 888 O THR A 59 1.399 15.192 3.032 1.00 0.00 O ATOM 889 CB THR A 59 -1.462 13.537 4.052 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.570 13.192 5.118 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.354 12.350 3.726 1.00 0.00 C ATOM 0 H THR A 59 0.859 12.540 2.991 1.00 0.00 H new ATOM 0 HA THR A 59 -1.351 14.234 2.013 1.00 0.00 H new ATOM 0 HB THR A 59 -2.093 14.370 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.071 12.384 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.912 12.059 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.051 12.625 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.739 11.514 3.393 1.00 0.00 H new ATOM 899 N ASN A 60 -0.492 16.253 3.631 1.00 0.00 N ATOM 900 CA ASN A 60 0.189 17.486 4.009 1.00 0.00 C ATOM 901 C ASN A 60 1.050 17.274 5.250 1.00 0.00 C ATOM 902 O ASN A 60 2.048 17.965 5.450 1.00 0.00 O ATOM 903 CB ASN A 60 -0.830 18.598 4.265 1.00 0.00 C ATOM 904 CG ASN A 60 -1.188 19.357 3.002 1.00 0.00 C ATOM 905 OD1 ASN A 60 -0.537 19.206 1.968 1.00 0.00 O ATOM 906 ND2 ASN A 60 -2.227 20.180 3.081 1.00 0.00 N ATOM 0 H ASN A 60 -1.505 16.277 3.751 1.00 0.00 H new ATOM 0 HA ASN A 60 0.838 17.780 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.734 18.167 4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.427 19.293 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.514 20.718 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.738 20.274 3.959 1.00 0.00 H new ATOM 913 N GLU A 61 0.656 16.313 6.080 1.00 0.00 N ATOM 914 CA GLU A 61 1.393 16.010 7.301 1.00 0.00 C ATOM 915 C GLU A 61 2.568 15.081 7.012 1.00 0.00 C ATOM 916 O GLU A 61 3.727 15.480 7.111 1.00 0.00 O ATOM 917 CB GLU A 61 0.465 15.370 8.337 1.00 0.00 C ATOM 918 CG GLU A 61 0.903 15.604 9.773 1.00 0.00 C ATOM 919 CD GLU A 61 0.173 14.713 10.758 1.00 0.00 C ATOM 920 OE1 GLU A 61 -1.071 14.795 10.824 1.00 0.00 O ATOM 921 OE2 GLU A 61 0.846 13.932 11.463 1.00 0.00 O ATOM 0 H GLU A 61 -0.168 15.732 5.929 1.00 0.00 H new ATOM 0 HA GLU A 61 1.783 16.946 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.542 15.766 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.413 14.297 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.975 15.428 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.731 16.648 10.036 1.00 0.00 H new ATOM 928 N ASN A 62 2.259 13.839 6.654 1.00 0.00 N ATOM 929 CA ASN A 62 3.289 12.852 6.351 1.00 0.00 C ATOM 930 C ASN A 62 2.680 11.612 5.702 1.00 0.00 C ATOM 931 O ASN A 62 1.525 11.270 5.955 1.00 0.00 O ATOM 932 CB ASN A 62 4.037 12.457 7.626 1.00 0.00 C ATOM 933 CG ASN A 62 3.098 12.140 8.773 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.227 11.278 8.657 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.270 12.839 9.889 1.00 0.00 N ATOM 0 H ASN A 62 1.304 13.492 6.567 1.00 0.00 H new ATOM 0 HA ASN A 62 3.992 13.301 5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.663 11.588 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.703 13.268 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.667 12.671 10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.005 13.544 9.941 1.00 0.00 H new ATOM 942 N ILE A 63 3.466 10.944 4.863 1.00 0.00 N ATOM 943 CA ILE A 63 3.005 9.743 4.179 1.00 0.00 C ATOM 944 C ILE A 63 2.427 8.735 5.167 1.00 0.00 C ATOM 945 O ILE A 63 3.086 8.349 6.131 1.00 0.00 O ATOM 946 CB ILE A 63 4.145 9.073 3.389 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.746 10.058 2.384 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.636 7.827 2.679 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.047 9.583 1.776 1.00 0.00 C ATOM 0 H ILE A 63 4.424 11.215 4.641 1.00 0.00 H new ATOM 0 HA ILE A 63 2.226 10.055 3.484 1.00 0.00 H new ATOM 0 HB ILE A 63 4.926 8.775 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.025 10.236 1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.914 11.014 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.453 7.365 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.251 7.121 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.839 8.102 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.415 10.331 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.784 9.433 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.881 8.643 1.251 1.00 0.00 H new ATOM 961 N GLN A 64 1.191 8.314 4.918 1.00 0.00 N ATOM 962 CA GLN A 64 0.524 7.350 5.785 1.00 0.00 C ATOM 963 C GLN A 64 0.737 5.926 5.282 1.00 0.00 C ATOM 964 O GLN A 64 1.446 5.704 4.301 1.00 0.00 O ATOM 965 CB GLN A 64 -0.973 7.656 5.867 1.00 0.00 C ATOM 966 CG GLN A 64 -1.324 8.701 6.913 1.00 0.00 C ATOM 967 CD GLN A 64 -2.743 8.558 7.427 1.00 0.00 C ATOM 968 OE1 GLN A 64 -2.998 7.825 8.383 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.676 9.259 6.794 1.00 0.00 N ATOM 0 H GLN A 64 0.632 8.625 4.124 1.00 0.00 H new ATOM 0 HA GLN A 64 0.960 7.433 6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.319 7.999 4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.512 6.735 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.629 8.621 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.195 9.695 6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.420 9.854 6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.649 9.202 7.096 1.00 0.00 H new ATOM 978 N ARG A 65 0.120 4.965 5.962 1.00 0.00 N ATOM 979 CA ARG A 65 0.244 3.562 5.585 1.00 0.00 C ATOM 980 C ARG A 65 -0.941 2.753 6.104 1.00 0.00 C ATOM 981 O ARG A 65 -1.175 2.680 7.311 1.00 0.00 O ATOM 982 CB ARG A 65 1.550 2.980 6.127 1.00 0.00 C ATOM 983 CG ARG A 65 1.867 1.593 5.593 1.00 0.00 C ATOM 984 CD ARG A 65 2.939 0.906 6.425 1.00 0.00 C ATOM 985 NE ARG A 65 2.385 0.281 7.623 1.00 0.00 N ATOM 986 CZ ARG A 65 2.991 -0.696 8.289 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.163 -1.156 7.876 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.423 -1.213 9.371 1.00 0.00 N ATOM 0 H ARG A 65 -0.471 5.132 6.777 1.00 0.00 H new ATOM 0 HA ARG A 65 0.253 3.503 4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.370 3.653 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.495 2.937 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.961 0.987 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.201 1.668 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.439 0.150 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.696 1.635 6.714 1.00 0.00 H new ATOM 0 HE ARG A 65 1.484 0.613 7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.602 -0.760 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.626 -1.906 8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.521 -0.860 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.888 -1.963 9.882 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.685 2.147 5.185 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.847 1.344 5.550 1.00 0.00 C ATOM 1004 C PHE A 66 -2.512 -0.144 5.515 1.00 0.00 C ATOM 1005 O PHE A 66 -1.439 -0.541 5.059 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.014 1.638 4.606 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.419 3.084 4.586 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.806 3.978 3.723 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.414 3.550 5.431 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -4.177 5.309 3.704 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.789 4.880 5.416 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.170 5.761 4.550 1.00 0.00 C ATOM 0 H PHE A 66 -1.504 2.196 4.182 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.136 1.610 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.740 1.332 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.871 1.033 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.029 3.631 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.902 2.866 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.690 5.996 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.565 5.230 6.080 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.462 6.801 4.535 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.437 -0.965 6.000 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.243 -2.409 6.024 1.00 0.00 C ATOM 1024 C LYS A 67 -4.422 -3.128 5.375 1.00 0.00 C ATOM 1025 O LYS A 67 -5.574 -2.923 5.760 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.065 -2.897 7.464 1.00 0.00 C ATOM 1027 CG LYS A 67 -4.280 -2.653 8.343 1.00 0.00 C ATOM 1028 CD LYS A 67 -3.928 -2.745 9.819 1.00 0.00 C ATOM 1029 CE LYS A 67 -3.196 -1.500 10.296 1.00 0.00 C ATOM 1030 NZ LYS A 67 -4.091 -0.310 10.330 1.00 0.00 N ATOM 0 H LYS A 67 -4.330 -0.654 6.382 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.342 -2.638 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.844 -3.964 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.202 -2.397 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.694 -1.668 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.054 -3.383 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.838 -2.880 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.306 -3.623 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.789 -1.677 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.351 -1.300 9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.667 0.426 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.215 0.059 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.017 -0.583 10.718 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.127 -3.970 4.391 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.163 -4.720 3.692 1.00 0.00 C ATOM 1046 C ILE A 68 -5.101 -6.202 4.044 1.00 0.00 C ATOM 1047 O ILE A 68 -4.073 -6.854 3.854 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.038 -4.562 2.165 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.204 -3.093 1.768 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.070 -5.427 1.457 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.763 -2.797 0.351 1.00 0.00 C ATOM 0 H ILE A 68 -3.179 -4.150 4.060 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.121 -4.312 4.015 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.045 -4.892 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.251 -2.810 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.630 -2.472 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.969 -5.305 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.910 -6.473 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.071 -5.124 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.909 -1.738 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.708 -3.048 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.354 -3.392 -0.346 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.207 -6.729 4.557 1.00 0.00 N ATOM 1064 CA CYS A 69 -6.280 -8.136 4.936 1.00 0.00 C ATOM 1065 C CYS A 69 -7.291 -8.881 4.070 1.00 0.00 C ATOM 1066 O CYS A 69 -8.407 -8.416 3.837 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.657 -8.270 6.412 1.00 0.00 C ATOM 1068 SG CYS A 69 -6.511 -9.951 7.062 1.00 0.00 S ATOM 0 H CYS A 69 -7.066 -6.203 4.720 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.297 -8.580 4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.021 -7.608 7.000 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.683 -7.928 6.546 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.849 -9.962 8.317 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.893 -10.064 3.580 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.749 -10.897 2.731 1.00 0.00 C ATOM 1076 C PRO A 70 -8.919 -11.500 3.502 1.00 0.00 C ATOM 1077 O PRO A 70 -8.862 -11.647 4.723 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.804 -12.000 2.247 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.747 -12.079 3.294 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.576 -10.679 3.817 1.00 0.00 C ATOM 0 HA PRO A 70 -8.205 -10.323 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.327 -12.950 2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.379 -11.758 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.039 -12.761 4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.813 -12.457 2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.315 -10.674 4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.783 -10.147 3.291 1.00 0.00 H new ATOM 1088 N THR A 71 -9.980 -11.848 2.781 1.00 0.00 N ATOM 1089 CA THR A 71 -11.164 -12.434 3.397 1.00 0.00 C ATOM 1090 C THR A 71 -11.632 -13.664 2.628 1.00 0.00 C ATOM 1091 O THR A 71 -11.424 -13.789 1.421 1.00 0.00 O ATOM 1092 CB THR A 71 -12.320 -11.418 3.470 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.652 -10.958 2.155 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.945 -10.234 4.348 1.00 0.00 C ATOM 0 H THR A 71 -10.044 -11.734 1.769 1.00 0.00 H new ATOM 0 HA THR A 71 -10.882 -12.727 4.408 1.00 0.00 H new ATOM 0 HB THR A 71 -13.185 -11.916 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.140 -10.111 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.777 -9.530 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.722 -10.585 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.067 -9.738 3.934 1.00 0.00 H new ATOM 1102 N PRO A 72 -12.280 -14.597 3.341 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.792 -15.835 2.746 1.00 0.00 C ATOM 1104 C PRO A 72 -13.974 -15.585 1.815 1.00 0.00 C ATOM 1105 O PRO A 72 -14.549 -16.521 1.262 1.00 0.00 O ATOM 1106 CB PRO A 72 -13.232 -16.657 3.960 1.00 0.00 C ATOM 1107 CG PRO A 72 -13.526 -15.647 5.015 1.00 0.00 C ATOM 1108 CD PRO A 72 -12.564 -14.515 4.784 1.00 0.00 C ATOM 0 HA PRO A 72 -12.043 -16.330 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.112 -17.259 3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.448 -17.345 4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.558 -15.302 4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.396 -16.073 6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.002 -13.554 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.658 -14.630 5.379 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.331 -14.315 1.647 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.445 -13.943 0.783 1.00 0.00 C ATOM 1118 C ASN A 73 -14.940 -13.347 -0.528 1.00 0.00 C ATOM 1119 O ASN A 73 -15.491 -12.367 -1.029 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.356 -12.940 1.494 1.00 0.00 C ATOM 1121 CG ASN A 73 -17.304 -13.612 2.469 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -18.480 -13.816 2.168 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -16.795 -13.958 3.646 1.00 0.00 N ATOM 0 H ASN A 73 -13.865 -13.527 2.098 1.00 0.00 H new ATOM 0 HA ASN A 73 -16.014 -14.845 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.745 -12.213 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.933 -12.388 0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.385 -14.412 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.814 -13.769 3.853 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.890 -13.947 -1.079 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.311 -13.476 -2.332 1.00 0.00 C ATOM 1132 C ASN A 74 -13.266 -11.951 -2.372 1.00 0.00 C ATOM 1133 O ASN A 74 -13.626 -11.336 -3.375 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.116 -14.004 -3.521 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.269 -14.163 -4.768 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -12.187 -14.748 -4.727 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -13.759 -13.639 -5.886 1.00 0.00 N ATOM 0 H ASN A 74 -13.423 -14.760 -0.678 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.291 -13.854 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.557 -14.966 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.940 -13.322 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.233 -13.713 -6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.661 -13.162 -5.873 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.822 -11.349 -1.273 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.730 -9.897 -1.183 1.00 0.00 C ATOM 1146 C GLN A 75 -11.472 -9.476 -0.430 1.00 0.00 C ATOM 1147 O GLN A 75 -10.650 -10.314 -0.057 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.969 -9.329 -0.488 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.168 -9.179 -1.410 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.488 -9.306 -0.675 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.552 -9.870 0.418 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.551 -8.780 -1.272 1.00 0.00 N ATOM 0 H GLN A 75 -12.521 -11.844 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.675 -9.498 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.240 -9.980 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.723 -8.355 -0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.123 -8.208 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.117 -9.937 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.452 -8.322 -2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.466 -8.834 -0.825 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.328 -8.174 -0.208 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.170 -7.642 0.499 1.00 0.00 C ATOM 1163 C PHE A 76 -10.584 -6.540 1.470 1.00 0.00 C ATOM 1164 O PHE A 76 -11.221 -5.562 1.079 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.142 -7.101 -0.496 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.433 -8.176 -1.270 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.096 -8.887 -2.257 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -7.105 -8.474 -1.011 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -8.446 -9.877 -2.971 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.451 -9.463 -1.721 1.00 0.00 C ATOM 1171 CZ PHE A 76 -7.122 -10.165 -2.703 1.00 0.00 C ATOM 0 H PHE A 76 -12.000 -7.467 -0.508 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.720 -8.454 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.643 -6.431 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.405 -6.506 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.131 -8.666 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.575 -7.927 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.973 -10.425 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.416 -9.687 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.613 -10.937 -3.260 1.00 0.00 H new ATOM 1181 N MET A 77 -10.217 -6.706 2.736 1.00 0.00 N ATOM 1182 CA MET A 77 -10.550 -5.725 3.763 1.00 0.00 C ATOM 1183 C MET A 77 -9.465 -4.658 3.867 1.00 0.00 C ATOM 1184 O MET A 77 -8.308 -4.963 4.154 1.00 0.00 O ATOM 1185 CB MET A 77 -10.736 -6.414 5.116 1.00 0.00 C ATOM 1186 CG MET A 77 -12.110 -7.038 5.297 1.00 0.00 C ATOM 1187 SD MET A 77 -12.248 -7.984 6.826 1.00 0.00 S ATOM 1188 CE MET A 77 -11.507 -6.847 7.995 1.00 0.00 C ATOM 0 H MET A 77 -9.689 -7.510 3.076 1.00 0.00 H new ATOM 0 HA MET A 77 -11.485 -5.241 3.479 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.977 -7.188 5.227 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.569 -5.687 5.911 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.865 -6.252 5.291 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.323 -7.691 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.795 -7.128 9.008 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.422 -6.886 7.902 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.853 -5.834 7.787 1.00 0.00 H new ATOM 1198 N MET A 78 -9.847 -3.407 3.632 1.00 0.00 N ATOM 1199 CA MET A 78 -8.906 -2.295 3.701 1.00 0.00 C ATOM 1200 C MET A 78 -8.959 -1.622 5.069 1.00 0.00 C ATOM 1201 O MET A 78 -7.985 -1.642 5.820 1.00 0.00 O ATOM 1202 CB MET A 78 -9.210 -1.273 2.605 1.00 0.00 C ATOM 1203 CG MET A 78 -8.060 -0.317 2.329 1.00 0.00 C ATOM 1204 SD MET A 78 -7.997 1.050 3.503 1.00 0.00 S ATOM 1205 CE MET A 78 -6.890 2.174 2.655 1.00 0.00 C ATOM 0 H MET A 78 -10.801 -3.138 3.392 1.00 0.00 H new ATOM 0 HA MET A 78 -7.902 -2.691 3.549 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.460 -1.802 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.090 -0.697 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.119 -0.866 2.366 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.158 0.081 1.319 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.848 3.120 3.195 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.892 1.737 2.610 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.255 2.350 1.643 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.104 -1.024 5.386 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.262 -0.353 6.663 1.00 0.00 C ATOM 1217 C GLY A 79 -11.426 -0.900 7.465 1.00 0.00 C ATOM 1218 O GLY A 79 -11.286 -1.199 8.650 1.00 0.00 O ATOM 0 H GLY A 79 -10.925 -0.992 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.344 -0.459 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.411 0.713 6.494 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.580 -1.029 6.818 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.757 -1.542 7.495 1.00 0.00 C ATOM 1224 C GLY A 80 -14.837 -1.983 6.527 1.00 0.00 C ATOM 1225 O GLY A 80 -16.021 -1.726 6.748 1.00 0.00 O ATOM 0 H GLY A 80 -12.721 -0.787 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.472 -2.385 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.157 -0.772 8.155 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.429 -2.647 5.451 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.371 -3.122 4.444 1.00 0.00 C ATOM 1231 C ARG A 81 -14.785 -4.294 3.661 1.00 0.00 C ATOM 1232 O ARG A 81 -13.626 -4.663 3.852 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.740 -1.989 3.486 1.00 0.00 C ATOM 1234 CG ARG A 81 -16.859 -1.097 3.999 1.00 0.00 C ATOM 1235 CD ARG A 81 -18.115 -1.898 4.303 1.00 0.00 C ATOM 1236 NE ARG A 81 -19.311 -1.060 4.310 1.00 0.00 N ATOM 1237 CZ ARG A 81 -20.543 -1.535 4.169 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -20.740 -2.837 4.011 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -21.580 -0.709 4.186 1.00 0.00 N ATOM 0 H ARG A 81 -13.453 -2.868 5.254 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.271 -3.463 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.856 -1.379 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.038 -2.417 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.529 -0.580 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.085 -0.332 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.230 -2.687 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.008 -2.385 5.272 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.193 -0.054 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.944 -3.475 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -21.687 -3.200 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.432 0.293 4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.526 -1.075 4.078 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.593 -4.874 2.781 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.156 -6.005 1.972 1.00 0.00 C ATOM 1255 C TYR A 82 -15.329 -5.711 0.485 1.00 0.00 C ATOM 1256 O TYR A 82 -16.417 -5.873 -0.069 1.00 0.00 O ATOM 1257 CB TYR A 82 -15.941 -7.263 2.349 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.368 -7.298 3.799 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.426 -7.362 4.820 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.712 -7.267 4.150 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.811 -7.395 6.146 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -18.106 -7.298 5.473 1.00 0.00 C ATOM 1263 CZ TYR A 82 -17.152 -7.362 6.468 1.00 0.00 C ATOM 1264 OH TYR A 82 -17.541 -7.395 7.787 1.00 0.00 O ATOM 0 H TYR A 82 -16.554 -4.579 2.610 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.097 -6.172 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.826 -7.332 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.329 -8.140 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.375 -7.386 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.462 -7.218 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.066 -7.446 6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -19.155 -7.272 5.728 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.519 -7.364 7.840 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.249 -5.278 -0.155 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.280 -4.958 -1.577 1.00 0.00 C ATOM 1276 C TYR A 83 -13.895 -6.172 -2.417 1.00 0.00 C ATOM 1277 O TYR A 83 -12.927 -6.869 -2.114 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.336 -3.794 -1.881 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.470 -2.638 -0.915 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -12.911 -2.702 0.355 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.155 -1.484 -1.272 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.030 -1.649 1.242 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.278 -0.426 -0.393 1.00 0.00 C ATOM 1284 CZ TYR A 83 -13.715 -0.513 0.863 1.00 0.00 C ATOM 1285 OH TYR A 83 -13.837 0.539 1.742 1.00 0.00 O ATOM 0 H TYR A 83 -13.341 -5.140 0.288 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.298 -4.668 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.308 -4.156 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.528 -3.436 -2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.374 -3.590 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.599 -1.413 -2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -12.589 -1.715 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -14.812 0.465 -0.688 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.347 1.261 1.319 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.661 -6.419 -3.475 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.401 -7.549 -4.360 1.00 0.00 C ATOM 1297 C ASN A 84 -12.913 -7.658 -4.680 1.00 0.00 C ATOM 1298 O ASN A 84 -12.357 -8.755 -4.730 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.204 -7.405 -5.654 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.052 -8.608 -6.566 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -13.849 -8.802 -7.093 1.00 0.00 O flip ATOM 1302 ND2 ASN A 84 -16.005 -9.353 -6.792 1.00 0.00 N flip ATOM 0 H ASN A 84 -15.466 -5.852 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.712 -8.459 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.258 -7.267 -5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.879 -6.509 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.912 -9.165 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.888 -10.159 -7.407 1.00 0.00 H new ATOM 1309 N SER A 85 -12.275 -6.512 -4.897 1.00 0.00 N ATOM 1310 CA SER A 85 -10.852 -6.478 -5.216 1.00 0.00 C ATOM 1311 C SER A 85 -10.289 -5.071 -5.038 1.00 0.00 C ATOM 1312 O SER A 85 -11.038 -4.106 -4.885 1.00 0.00 O ATOM 1313 CB SER A 85 -10.618 -6.956 -6.650 1.00 0.00 C ATOM 1314 OG SER A 85 -11.285 -6.121 -7.581 1.00 0.00 O ATOM 0 H SER A 85 -12.721 -5.595 -4.858 1.00 0.00 H new ATOM 0 HA SER A 85 -10.334 -7.147 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.549 -6.964 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.972 -7.981 -6.757 1.00 0.00 H new ATOM 0 HG SER A 85 -11.118 -6.446 -8.490 1.00 0.00 H new ATOM 1320 N ILE A 86 -8.965 -4.964 -5.060 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.301 -3.676 -4.903 1.00 0.00 C ATOM 1322 C ILE A 86 -8.810 -2.666 -5.926 1.00 0.00 C ATOM 1323 O ILE A 86 -9.075 -1.511 -5.595 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.773 -3.809 -5.046 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.215 -4.724 -3.954 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.114 -2.439 -4.985 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.708 -4.858 -3.990 1.00 0.00 C ATOM 0 H ILE A 86 -8.331 -5.753 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.534 -3.321 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.551 -4.254 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.514 -4.338 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.662 -5.713 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.034 -2.550 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.493 -1.816 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.341 -1.968 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.382 -5.521 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.402 -5.273 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.252 -3.877 -3.857 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.947 -3.111 -7.171 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.426 -2.235 -8.224 1.00 0.00 C ATOM 1341 C GLY A 87 -10.667 -1.464 -7.817 1.00 0.00 C ATOM 1342 O GLY A 87 -10.832 -0.301 -8.185 1.00 0.00 O ATOM 0 H GLY A 87 -8.735 -4.063 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.638 -1.532 -8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.645 -2.826 -9.113 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.541 -2.113 -7.056 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.774 -1.482 -6.599 1.00 0.00 C ATOM 1348 C ASP A 88 -12.483 -0.432 -5.532 1.00 0.00 C ATOM 1349 O ASP A 88 -13.100 0.634 -5.511 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.737 -2.535 -6.048 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.509 -3.243 -7.144 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -13.878 -3.668 -8.134 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.743 -3.374 -7.010 1.00 0.00 O ATOM 0 H ASP A 88 -11.419 -3.076 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.239 -0.988 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.176 -3.269 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.438 -2.059 -5.363 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.541 -0.740 -4.647 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.169 0.177 -3.577 1.00 0.00 C ATOM 1360 C ILE A 89 -10.812 1.552 -4.131 1.00 0.00 C ATOM 1361 O ILE A 89 -11.040 2.573 -3.481 1.00 0.00 O ATOM 1362 CB ILE A 89 -9.978 -0.361 -2.762 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.334 -1.707 -2.126 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.569 0.643 -1.696 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.140 -2.441 -1.558 1.00 0.00 C ATOM 0 H ILE A 89 -11.021 -1.618 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.036 0.265 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.134 -0.510 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.061 -1.543 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.816 -2.337 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.726 0.248 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.279 1.580 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.408 0.821 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.467 -3.386 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.421 -2.637 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.671 -1.830 -0.787 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.252 1.571 -5.336 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.866 2.821 -5.979 1.00 0.00 C ATOM 1379 C ILE A 90 -11.091 3.606 -6.434 1.00 0.00 C ATOM 1380 O ILE A 90 -11.412 4.655 -5.874 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.951 2.570 -7.192 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.610 1.991 -6.737 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.740 3.860 -7.971 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.612 0.483 -6.619 1.00 0.00 C ATOM 0 H ILE A 90 -10.056 0.735 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.320 3.403 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.433 1.846 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.836 2.291 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.346 2.423 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.091 3.667 -8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.702 4.234 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.276 4.604 -7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.630 0.142 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.363 0.176 -5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.845 0.042 -7.588 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.773 3.092 -7.451 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.966 3.744 -7.980 1.00 0.00 C ATOM 1398 C ASP A 91 -13.951 4.064 -6.861 1.00 0.00 C ATOM 1399 O ASP A 91 -14.773 4.973 -6.984 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.636 2.855 -9.028 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.715 2.533 -10.189 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -11.960 3.432 -10.614 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -12.750 1.381 -10.671 1.00 0.00 O ATOM 0 H ASP A 91 -11.520 2.225 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.662 4.679 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.962 1.927 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.530 3.353 -9.404 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.865 3.310 -5.769 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.750 3.514 -4.627 1.00 0.00 C ATOM 1410 C HIS A 92 -14.341 4.753 -3.837 1.00 0.00 C ATOM 1411 O HIS A 92 -15.152 5.650 -3.607 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.733 2.285 -3.717 1.00 0.00 C ATOM 1413 CG HIS A 92 -15.785 2.314 -2.652 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -15.660 3.048 -1.491 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -16.987 1.696 -2.577 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -16.739 2.878 -0.748 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -17.560 2.063 -1.384 1.00 0.00 N ATOM 0 H HIS A 92 -13.192 2.553 -5.651 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.762 3.664 -5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.868 1.391 -4.325 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.753 2.205 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.416 1.037 -3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.919 3.329 0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -18.472 1.756 -1.045 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.079 4.795 -3.423 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.564 5.923 -2.656 1.00 0.00 C ATOM 1427 C TYR A 93 -12.539 7.192 -3.502 1.00 0.00 C ATOM 1428 O TYR A 93 -12.725 8.296 -2.990 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.158 5.614 -2.138 1.00 0.00 C ATOM 1430 CG TYR A 93 -11.147 4.884 -0.814 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.956 5.298 0.237 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.328 3.779 -0.614 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.948 4.635 1.449 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.315 3.109 0.593 1.00 0.00 C ATOM 1435 CZ TYR A 93 -11.127 3.540 1.622 1.00 0.00 C ATOM 1436 OH TYR A 93 -11.117 2.876 2.827 1.00 0.00 O ATOM 0 H TYR A 93 -12.394 4.061 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.229 6.087 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.631 5.013 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.605 6.548 -2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.602 6.153 0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.691 3.439 -1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.581 4.972 2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.673 2.252 0.731 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.254 2.427 2.946 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.309 7.025 -4.800 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.260 8.156 -5.719 1.00 0.00 C ATOM 1448 C ARG A 94 -13.336 9.182 -5.377 1.00 0.00 C ATOM 1449 O ARG A 94 -13.126 10.387 -5.511 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.435 7.678 -7.161 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.140 7.222 -7.814 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.295 7.084 -9.320 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.318 8.382 -9.989 1.00 0.00 N ATOM 1454 CZ ARG A 94 -11.305 8.528 -11.309 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -11.271 7.463 -12.098 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -11.328 9.743 -11.844 1.00 0.00 N ATOM 0 H ARG A 94 -12.154 6.118 -5.239 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.284 8.631 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.150 6.855 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.865 8.486 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.348 7.937 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.834 6.266 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.474 6.487 -9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.216 6.545 -9.542 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.346 9.222 -9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.255 6.528 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.261 7.579 -13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.356 10.565 -11.241 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.318 9.854 -12.858 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.491 8.695 -4.935 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.602 9.567 -4.573 1.00 0.00 C ATOM 1472 C LYS A 95 -15.659 9.777 -3.063 1.00 0.00 C ATOM 1473 O LYS A 95 -16.104 10.822 -2.590 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.924 8.976 -5.067 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.337 7.712 -4.333 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.753 7.296 -4.693 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.778 7.971 -3.794 1.00 0.00 C ATOM 1478 NZ LYS A 95 -20.209 9.290 -4.335 1.00 0.00 N ATOM 0 H LYS A 95 -14.682 7.700 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.443 10.534 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.710 9.723 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.839 8.757 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.646 6.905 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.267 7.875 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.955 7.552 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.848 6.214 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.647 7.322 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.354 8.108 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.245 9.364 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.779 10.053 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.904 9.375 -5.326 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.205 8.777 -2.314 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.206 8.854 -0.858 1.00 0.00 C ATOM 1494 C GLU A 96 -13.808 9.165 -0.329 1.00 0.00 C ATOM 1495 O GLU A 96 -12.859 8.424 -0.583 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.710 7.540 -0.256 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.224 7.442 -0.190 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.801 8.131 1.031 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.694 7.562 2.138 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -18.361 9.237 0.881 1.00 0.00 O ATOM 0 H GLU A 96 -14.832 7.905 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.876 9.661 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.326 6.709 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.303 7.431 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.652 7.885 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.516 6.392 -0.182 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.692 10.266 0.406 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.411 10.676 0.969 1.00 0.00 C ATOM 1509 C GLN A 97 -11.809 9.562 1.820 1.00 0.00 C ATOM 1510 O GLN A 97 -12.380 9.167 2.836 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.582 11.941 1.812 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.728 11.860 2.806 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.679 12.962 3.846 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.837 12.712 5.041 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.458 14.192 3.395 1.00 0.00 N ATOM 0 H GLN A 97 -14.469 10.890 0.625 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.731 10.887 0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.656 12.135 2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.747 12.790 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.675 11.915 2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.702 10.892 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.333 14.354 2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.414 14.974 4.048 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.653 9.061 1.397 1.00 0.00 N ATOM 1525 CA ILE A 98 -9.974 7.994 2.120 1.00 0.00 C ATOM 1526 C ILE A 98 -9.367 8.510 3.420 1.00 0.00 C ATOM 1527 O ILE A 98 -9.060 7.735 4.326 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.862 7.354 1.267 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.067 6.345 2.099 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.942 8.427 0.704 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.054 5.563 1.293 1.00 0.00 C ATOM 0 H ILE A 98 -10.168 9.377 0.557 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.727 7.239 2.347 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.323 6.825 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.552 6.873 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.760 5.648 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.162 7.959 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.519 9.110 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.486 8.982 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.528 4.867 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.565 5.007 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.338 6.251 0.843 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.197 9.826 3.506 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.629 10.448 4.696 1.00 0.00 C ATOM 1545 C VAL A 99 -9.598 11.457 5.304 1.00 0.00 C ATOM 1546 O VAL A 99 -10.671 11.707 4.758 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.299 11.156 4.380 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.401 11.179 5.607 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.600 10.478 3.210 1.00 0.00 C ATOM 0 H VAL A 99 -9.445 10.482 2.765 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.444 9.648 5.413 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.514 12.187 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.466 11.683 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.902 11.713 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.191 10.157 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.662 10.991 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.396 9.437 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.241 10.520 2.330 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.209 12.034 6.437 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.043 13.016 7.118 1.00 0.00 C ATOM 1561 C GLU A 100 -10.391 14.175 6.188 1.00 0.00 C ATOM 1562 O GLU A 100 -11.282 14.972 6.477 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.332 13.545 8.365 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.061 14.320 8.059 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.339 14.775 9.312 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -8.021 15.103 10.304 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.090 14.803 9.299 1.00 0.00 O ATOM 0 H GLU A 100 -8.322 11.838 6.902 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.968 12.523 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.016 14.189 8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.088 12.706 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.393 13.695 7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.308 15.190 7.450 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.679 14.261 5.068 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.925 15.324 4.112 1.00 0.00 C ATOM 1576 C GLY A 101 -9.011 15.243 2.905 1.00 0.00 C ATOM 1577 O GLY A 101 -8.367 16.226 2.538 1.00 0.00 O ATOM 0 H GLY A 101 -8.936 13.613 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.963 15.278 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.789 16.288 4.602 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.952 14.068 2.288 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.107 13.860 1.119 1.00 0.00 C ATOM 1583 C TYR A 102 -8.640 12.720 0.256 1.00 0.00 C ATOM 1584 O TYR A 102 -8.946 11.638 0.758 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.670 13.560 1.549 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.948 14.758 2.124 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.164 15.160 3.436 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.048 15.486 1.355 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.507 16.253 3.966 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.385 16.581 1.877 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.619 16.960 3.182 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.961 18.050 3.707 1.00 0.00 O ATOM 0 H TYR A 102 -9.480 13.245 2.578 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.119 14.775 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.681 12.762 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.112 13.188 0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.858 14.608 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.863 15.191 0.332 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.687 16.552 4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.688 17.136 1.267 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.046 18.044 4.683 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.748 12.971 -1.044 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.246 11.967 -1.977 1.00 0.00 C ATOM 1604 C TYR A 103 -8.112 11.408 -2.831 1.00 0.00 C ATOM 1605 O TYR A 103 -7.006 11.950 -2.848 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.328 12.568 -2.876 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.573 12.985 -2.127 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.690 14.261 -1.589 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.634 12.104 -1.958 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -12.826 14.646 -0.903 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.774 12.481 -1.276 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.866 13.753 -0.750 1.00 0.00 C ATOM 1613 OH TYR A 103 -14.999 14.132 -0.069 1.00 0.00 O ATOM 0 H TYR A 103 -8.498 13.861 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.677 11.151 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.918 13.435 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.600 11.840 -3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.879 14.964 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.566 11.107 -2.367 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.899 15.641 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.590 11.783 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.635 13.387 -0.052 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.395 10.321 -3.540 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.401 9.687 -4.398 1.00 0.00 C ATOM 1625 C LEU A 104 -7.474 10.240 -5.818 1.00 0.00 C ATOM 1626 O LEU A 104 -8.286 9.794 -6.629 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.608 8.171 -4.418 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.400 7.448 -3.087 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.772 5.979 -3.215 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -5.961 7.597 -2.618 1.00 0.00 C ATOM 0 H LEU A 104 -9.305 9.860 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.414 9.908 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.621 7.967 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.927 7.741 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.052 7.904 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.618 5.480 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.819 5.893 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.146 5.510 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.832 7.076 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.290 7.168 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.729 8.654 -2.486 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.619 11.214 -6.112 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.583 11.827 -7.435 1.00 0.00 C ATOM 1644 C LYS A 105 -6.091 10.833 -8.482 1.00 0.00 C ATOM 1645 O LYS A 105 -6.834 10.452 -9.386 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.679 13.061 -7.423 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.387 14.330 -6.982 1.00 0.00 C ATOM 1648 CD LYS A 105 -5.778 15.563 -7.629 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.136 16.828 -6.865 1.00 0.00 C ATOM 1650 NZ LYS A 105 -6.155 18.025 -7.752 1.00 0.00 N ATOM 0 H LYS A 105 -5.942 11.596 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.597 12.130 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.835 12.876 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.271 13.211 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.444 14.267 -7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.330 14.421 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.694 15.456 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.129 15.646 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.114 16.706 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.416 16.983 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.403 18.867 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.215 18.157 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.860 17.888 -8.504 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.835 10.417 -8.353 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.246 9.467 -9.289 1.00 0.00 C ATOM 1666 C GLU A 106 -3.074 8.729 -8.649 1.00 0.00 C ATOM 1667 O GLU A 106 -2.311 9.288 -7.861 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.778 10.188 -10.555 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.750 11.275 -10.292 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.938 11.620 -11.526 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -2.494 12.260 -12.443 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.746 11.250 -11.573 1.00 0.00 O ATOM 0 H GLU A 106 -4.206 10.723 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.011 8.738 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.353 9.457 -11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.642 10.629 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.257 12.171 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.078 10.950 -9.498 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.926 7.441 -8.994 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.850 6.598 -8.466 1.00 0.00 C ATOM 1681 C PRO A 107 -0.481 7.000 -9.003 1.00 0.00 C ATOM 1682 O PRO A 107 -0.372 7.880 -9.858 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.225 5.196 -8.954 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.050 5.428 -10.173 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.799 6.710 -9.929 1.00 0.00 C ATOM 0 HA PRO A 107 -1.765 6.679 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.338 4.606 -9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.785 4.649 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.422 5.506 -11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.738 4.600 -10.342 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.954 7.267 -10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.783 6.525 -9.499 1.00 0.00 H new ATOM 1693 N VAL A 108 0.563 6.351 -8.497 1.00 0.00 N ATOM 1694 CA VAL A 108 1.925 6.640 -8.927 1.00 0.00 C ATOM 1695 C VAL A 108 2.310 5.797 -10.137 1.00 0.00 C ATOM 1696 O VAL A 108 2.196 4.571 -10.133 1.00 0.00 O ATOM 1697 CB VAL A 108 2.938 6.386 -7.794 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.362 6.463 -8.323 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.727 7.376 -6.659 1.00 0.00 C ATOM 0 H VAL A 108 0.491 5.621 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 108 1.953 7.695 -9.199 1.00 0.00 H new ATOM 0 HB VAL A 108 2.776 5.381 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.063 6.281 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.503 5.710 -9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.542 7.453 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.451 7.182 -5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.861 8.391 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.718 7.265 -6.263 1.00 0.00 H new ATOM 1709 N PRO A 109 2.779 6.467 -11.201 1.00 0.00 N ATOM 1710 CA PRO A 109 3.191 5.799 -12.438 1.00 0.00 C ATOM 1711 C PRO A 109 4.472 4.990 -12.261 1.00 0.00 C ATOM 1712 O PRO A 109 5.110 5.043 -11.210 1.00 0.00 O ATOM 1713 CB PRO A 109 3.423 6.960 -13.408 1.00 0.00 C ATOM 1714 CG PRO A 109 3.740 8.125 -12.535 1.00 0.00 C ATOM 1715 CD PRO A 109 2.942 7.929 -11.276 1.00 0.00 C ATOM 0 HA PRO A 109 2.446 5.081 -12.781 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.242 6.745 -14.094 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.539 7.150 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.807 8.170 -12.317 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.474 9.062 -13.024 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.465 8.321 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.980 8.439 -11.326 1.00 0.00 H new ATOM 1723 N MET A 110 4.841 4.242 -13.295 1.00 0.00 N ATOM 1724 CA MET A 110 6.047 3.423 -13.253 1.00 0.00 C ATOM 1725 C MET A 110 7.257 4.211 -13.744 1.00 0.00 C ATOM 1726 O MET A 110 7.159 5.406 -14.020 1.00 0.00 O ATOM 1727 CB MET A 110 5.865 2.164 -14.104 1.00 0.00 C ATOM 1728 CG MET A 110 4.466 1.574 -14.024 1.00 0.00 C ATOM 1729 SD MET A 110 3.981 0.729 -15.541 1.00 0.00 S ATOM 1730 CE MET A 110 3.964 2.095 -16.699 1.00 0.00 C ATOM 0 H MET A 110 4.323 4.186 -14.172 1.00 0.00 H new ATOM 0 HA MET A 110 6.221 3.131 -12.217 1.00 0.00 H new ATOM 0 HB2 MET A 110 6.091 2.402 -15.143 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.587 1.412 -13.785 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.419 0.873 -13.191 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.752 2.370 -13.812 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.317 1.850 -17.541 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.589 2.989 -16.201 1.00 0.00 H new ATOM 0 HE3 MET A 110 4.976 2.278 -17.060 1.00 0.00 H new