USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 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 Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 177:sc= -4.14! (180deg=-4.27!) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -1.93 (180deg=-2.26!) USER MOD Single : A 27 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.55) USER MOD Single : A 28 GLN : amide:sc=-0.00188 X(o=-0.0019,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 90:sc= 0.329 USER MOD Single : A 40 CYS SG : rot 180:sc=0.000888 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00175 X(o=-0.0018,f=-0.5) USER MOD Single : A 67 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-1) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.406 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -159:sc= -0.218 USER MOD Single : A 77 HIS : no HD1:sc= -0.901 X(o=-0.9,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.616 K(o=-0.62,f=-0.055) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 7.084 -11.047 -7.055 1.00 0.00 N ATOM 138 CA ASN A 12 7.165 -10.029 -8.096 1.00 0.00 C ATOM 139 C ASN A 12 8.139 -8.923 -7.700 1.00 0.00 C ATOM 140 O ASN A 12 9.150 -8.703 -8.366 1.00 0.00 O ATOM 141 CB ASN A 12 5.782 -9.435 -8.366 1.00 0.00 C ATOM 142 CG ASN A 12 5.783 -8.478 -9.543 1.00 0.00 C ATOM 143 OD1 ASN A 12 5.909 -7.266 -9.371 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.641 -9.021 -10.746 1.00 0.00 N ATOM 0 HA ASN A 12 7.532 -10.503 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.074 -10.242 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.435 -8.911 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.633 -8.428 -11.576 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.540 -10.032 -10.841 1.00 0.00 H new ATOM 151 N GLY A 13 7.826 -8.228 -6.610 1.00 0.00 N ATOM 152 CA GLY A 13 8.682 -7.154 -6.144 1.00 0.00 C ATOM 153 C GLY A 13 8.327 -6.696 -4.743 1.00 0.00 C ATOM 154 O GLY A 13 8.573 -5.546 -4.377 1.00 0.00 O ATOM 0 H GLY A 13 6.995 -8.390 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.720 -7.487 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.606 -6.310 -6.829 1.00 0.00 H new ATOM 158 N PHE A 14 7.746 -7.596 -3.958 1.00 0.00 N ATOM 159 CA PHE A 14 7.354 -7.277 -2.590 1.00 0.00 C ATOM 160 C PHE A 14 8.194 -8.062 -1.586 1.00 0.00 C ATOM 161 O PHE A 14 8.640 -9.174 -1.868 1.00 0.00 O ATOM 162 CB PHE A 14 5.869 -7.583 -2.378 1.00 0.00 C ATOM 163 CG PHE A 14 4.953 -6.605 -3.056 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.807 -6.613 -4.434 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.239 -5.676 -2.316 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.965 -5.714 -5.062 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.395 -4.776 -2.938 1.00 0.00 C ATOM 168 CZ PHE A 14 3.259 -4.794 -4.313 1.00 0.00 C ATOM 0 H PHE A 14 7.536 -8.552 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 14 7.526 -6.213 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.656 -8.585 -2.749 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.656 -7.587 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.358 -7.330 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.343 -5.655 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.860 -5.731 -6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.842 -4.059 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.602 -4.090 -4.801 1.00 0.00 H new ATOM 178 N LYS A 15 8.407 -7.473 -0.414 1.00 0.00 N ATOM 179 CA LYS A 15 9.193 -8.115 0.633 1.00 0.00 C ATOM 180 C LYS A 15 8.592 -7.843 2.008 1.00 0.00 C ATOM 181 O LYS A 15 8.112 -6.743 2.281 1.00 0.00 O ATOM 182 CB LYS A 15 10.640 -7.618 0.590 1.00 0.00 C ATOM 183 CG LYS A 15 11.257 -7.663 -0.797 1.00 0.00 C ATOM 184 CD LYS A 15 12.759 -7.885 -0.732 1.00 0.00 C ATOM 185 CE LYS A 15 13.513 -6.567 -0.636 1.00 0.00 C ATOM 186 NZ LYS A 15 14.935 -6.769 -0.241 1.00 0.00 N ATOM 0 H LYS A 15 8.046 -6.552 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 15 9.179 -9.190 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.675 -6.594 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.243 -8.223 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.795 -8.462 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.048 -6.729 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.999 -8.507 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.086 -8.429 -1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.472 -6.054 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.022 -5.920 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.414 -5.848 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.974 -7.235 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.410 -7.365 -0.948 1.00 0.00 H new ATOM 200 N VAL A 16 8.622 -8.853 2.872 1.00 0.00 N ATOM 201 CA VAL A 16 8.082 -8.722 4.221 1.00 0.00 C ATOM 202 C VAL A 16 8.643 -7.488 4.919 1.00 0.00 C ATOM 203 O VAL A 16 9.857 -7.298 4.986 1.00 0.00 O ATOM 204 CB VAL A 16 8.392 -9.967 5.073 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.886 -9.780 6.495 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.784 -11.209 4.440 1.00 0.00 C ATOM 0 H VAL A 16 9.014 -9.771 2.662 1.00 0.00 H new ATOM 0 HA VAL A 16 7.001 -8.620 4.122 1.00 0.00 H new ATOM 0 HB VAL A 16 9.473 -10.100 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.114 -10.670 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.373 -8.914 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.808 -9.622 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.012 -12.080 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.703 -11.089 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.200 -11.350 3.442 1.00 0.00 H new ATOM 216 N GLY A 17 7.750 -6.652 5.440 1.00 0.00 N ATOM 217 CA GLY A 17 8.175 -5.447 6.128 1.00 0.00 C ATOM 218 C GLY A 17 7.682 -4.186 5.447 1.00 0.00 C ATOM 219 O GLY A 17 7.257 -3.240 6.110 1.00 0.00 O ATOM 0 H GLY A 17 6.740 -6.788 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.808 -5.469 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.264 -5.427 6.180 1.00 0.00 H new ATOM 223 N MET A 18 7.740 -4.171 4.119 1.00 0.00 N ATOM 224 CA MET A 18 7.296 -3.016 3.348 1.00 0.00 C ATOM 225 C MET A 18 5.848 -2.667 3.677 1.00 0.00 C ATOM 226 O MET A 18 4.931 -3.434 3.383 1.00 0.00 O ATOM 227 CB MET A 18 7.439 -3.291 1.850 1.00 0.00 C ATOM 228 CG MET A 18 8.878 -3.266 1.362 1.00 0.00 C ATOM 229 SD MET A 18 9.011 -2.865 -0.391 1.00 0.00 S ATOM 230 CE MET A 18 8.506 -4.416 -1.132 1.00 0.00 C ATOM 0 H MET A 18 8.090 -4.945 3.555 1.00 0.00 H new ATOM 0 HA MET A 18 7.925 -2.167 3.616 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.005 -4.265 1.625 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.863 -2.549 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.441 -2.535 1.942 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.336 -4.238 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.485 -4.311 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.213 -5.198 -0.857 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.512 -4.684 -0.774 1.00 0.00 H new ATOM 240 N LYS A 19 5.649 -1.504 4.288 1.00 0.00 N ATOM 241 CA LYS A 19 4.313 -1.052 4.657 1.00 0.00 C ATOM 242 C LYS A 19 3.604 -0.420 3.463 1.00 0.00 C ATOM 243 O LYS A 19 4.245 0.140 2.572 1.00 0.00 O ATOM 244 CB LYS A 19 4.392 -0.046 5.807 1.00 0.00 C ATOM 245 CG LYS A 19 4.977 -0.626 7.083 1.00 0.00 C ATOM 246 CD LYS A 19 5.665 0.442 7.917 1.00 0.00 C ATOM 247 CE LYS A 19 6.383 -0.163 9.114 1.00 0.00 C ATOM 248 NZ LYS A 19 7.026 0.881 9.960 1.00 0.00 N ATOM 0 H LYS A 19 6.397 -0.857 4.538 1.00 0.00 H new ATOM 0 HA LYS A 19 3.739 -1.920 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.997 0.805 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.392 0.334 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.184 -1.092 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.692 -1.410 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.380 0.984 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.928 1.167 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.673 -0.731 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.140 -0.866 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.694 0.431 10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.538 1.553 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.296 1.389 10.500 1.00 0.00 H new ATOM 262 N LEU A 20 2.279 -0.511 3.452 1.00 0.00 N ATOM 263 CA LEU A 20 1.482 0.053 2.368 1.00 0.00 C ATOM 264 C LEU A 20 0.005 0.102 2.746 1.00 0.00 C ATOM 265 O LEU A 20 -0.383 -0.338 3.827 1.00 0.00 O ATOM 266 CB LEU A 20 1.667 -0.769 1.091 1.00 0.00 C ATOM 267 CG LEU A 20 0.844 -2.054 0.996 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.564 -2.402 -0.458 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.564 -3.201 1.691 1.00 0.00 C ATOM 0 H LEU A 20 1.734 -0.970 4.181 1.00 0.00 H new ATOM 0 HA LEU A 20 1.826 1.072 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.419 -0.138 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.722 -1.029 0.999 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.109 -1.891 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.023 -3.319 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.007 -1.590 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.507 -2.546 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.964 -4.108 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.531 -3.365 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.713 -2.953 2.742 1.00 0.00 H new ATOM 281 N GLU A 21 -0.813 0.638 1.846 1.00 0.00 N ATOM 282 CA GLU A 21 -2.248 0.742 2.085 1.00 0.00 C ATOM 283 C GLU A 21 -3.029 -0.120 1.098 1.00 0.00 C ATOM 284 O GLU A 21 -2.635 -0.271 -0.058 1.00 0.00 O ATOM 285 CB GLU A 21 -2.701 2.200 1.975 1.00 0.00 C ATOM 286 CG GLU A 21 -1.951 3.142 2.901 1.00 0.00 C ATOM 287 CD GLU A 21 -2.564 4.528 2.945 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.766 4.655 2.630 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.843 5.486 3.293 1.00 0.00 O ATOM 0 H GLU A 21 -0.507 1.007 0.945 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.449 0.381 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.571 2.535 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.767 2.258 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.938 2.723 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.914 3.218 2.574 1.00 0.00 H new ATOM 296 N GLY A 22 -4.139 -0.685 1.563 1.00 0.00 N ATOM 297 CA GLY A 22 -4.957 -1.526 0.709 1.00 0.00 C ATOM 298 C GLY A 22 -6.439 -1.365 0.985 1.00 0.00 C ATOM 299 O GLY A 22 -6.830 -0.808 2.011 1.00 0.00 O ATOM 0 H GLY A 22 -4.486 -0.575 2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.756 -1.283 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.675 -2.569 0.853 1.00 0.00 H new ATOM 303 N VAL A 23 -7.267 -1.851 0.066 1.00 0.00 N ATOM 304 CA VAL A 23 -8.714 -1.758 0.215 1.00 0.00 C ATOM 305 C VAL A 23 -9.273 -2.978 0.938 1.00 0.00 C ATOM 306 O VAL A 23 -8.724 -4.076 0.839 1.00 0.00 O ATOM 307 CB VAL A 23 -9.411 -1.622 -1.152 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.883 -1.989 -1.040 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.245 -0.211 -1.697 1.00 0.00 C ATOM 0 H VAL A 23 -6.960 -2.313 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.914 -0.865 0.808 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.941 -2.314 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.359 -1.887 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.976 -3.019 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.371 -1.324 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.744 -0.133 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.688 0.502 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.184 0.010 -1.817 1.00 0.00 H new ATOM 319 N ASP A 24 -10.366 -2.779 1.665 1.00 0.00 N ATOM 320 CA ASP A 24 -11.001 -3.863 2.405 1.00 0.00 C ATOM 321 C ASP A 24 -12.012 -4.599 1.531 1.00 0.00 C ATOM 322 O ASP A 24 -12.699 -4.005 0.700 1.00 0.00 O ATOM 323 CB ASP A 24 -11.691 -3.320 3.657 1.00 0.00 C ATOM 324 CG ASP A 24 -10.729 -2.603 4.584 1.00 0.00 C ATOM 325 OD1 ASP A 24 -9.803 -1.935 4.077 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.902 -2.708 5.816 1.00 0.00 O ATOM 0 H ASP A 24 -10.831 -1.876 1.758 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.225 -4.568 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.485 -2.635 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.163 -4.143 4.194 1.00 0.00 H new ATOM 331 N PRO A 25 -12.105 -5.924 1.721 1.00 0.00 N ATOM 332 CA PRO A 25 -13.028 -6.769 0.958 1.00 0.00 C ATOM 333 C PRO A 25 -14.486 -6.515 1.327 1.00 0.00 C ATOM 334 O PRO A 25 -15.396 -7.078 0.720 1.00 0.00 O ATOM 335 CB PRO A 25 -12.617 -8.190 1.353 1.00 0.00 C ATOM 336 CG PRO A 25 -11.990 -8.042 2.697 1.00 0.00 C ATOM 337 CD PRO A 25 -11.317 -6.698 2.694 1.00 0.00 C ATOM 0 HA PRO A 25 -12.967 -6.575 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.479 -8.856 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.917 -8.614 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.740 -8.101 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.269 -8.839 2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.334 -6.238 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.271 -6.773 2.395 1.00 0.00 H new ATOM 345 N GLU A 26 -14.699 -5.662 2.324 1.00 0.00 N ATOM 346 CA GLU A 26 -16.047 -5.334 2.773 1.00 0.00 C ATOM 347 C GLU A 26 -16.527 -4.029 2.145 1.00 0.00 C ATOM 348 O GLU A 26 -17.728 -3.763 2.080 1.00 0.00 O ATOM 349 CB GLU A 26 -16.089 -5.224 4.299 1.00 0.00 C ATOM 350 CG GLU A 26 -15.485 -3.936 4.833 1.00 0.00 C ATOM 351 CD GLU A 26 -14.914 -4.095 6.228 1.00 0.00 C ATOM 352 OE1 GLU A 26 -14.409 -5.193 6.541 1.00 0.00 O ATOM 353 OE2 GLU A 26 -14.971 -3.120 7.007 1.00 0.00 O ATOM 0 H GLU A 26 -13.956 -5.186 2.836 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.713 -6.137 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.125 -5.295 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.557 -6.071 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.697 -3.601 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.248 -3.158 4.843 1.00 0.00 H new ATOM 360 N HIS A 27 -15.581 -3.217 1.685 1.00 0.00 N ATOM 361 CA HIS A 27 -15.906 -1.939 1.062 1.00 0.00 C ATOM 362 C HIS A 27 -14.785 -1.488 0.131 1.00 0.00 C ATOM 363 O HIS A 27 -13.620 -1.442 0.525 1.00 0.00 O ATOM 364 CB HIS A 27 -16.156 -0.875 2.131 1.00 0.00 C ATOM 365 CG HIS A 27 -17.566 -0.853 2.635 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.664 -0.915 1.803 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.055 -0.776 3.895 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.767 -0.875 2.529 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.425 -0.791 3.802 1.00 0.00 N ATOM 0 H HIS A 27 -14.583 -3.421 1.732 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.813 -2.071 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.482 -1.049 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.910 0.105 1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.475 -0.714 4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.777 -0.906 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.073 -0.745 4.588 1.00 0.00 H new ATOM 378 N GLN A 28 -15.145 -1.157 -1.105 1.00 0.00 N ATOM 379 CA GLN A 28 -14.169 -0.711 -2.092 1.00 0.00 C ATOM 380 C GLN A 28 -13.895 0.783 -1.950 1.00 0.00 C ATOM 381 O GLN A 28 -13.314 1.405 -2.840 1.00 0.00 O ATOM 382 CB GLN A 28 -14.664 -1.019 -3.506 1.00 0.00 C ATOM 383 CG GLN A 28 -14.583 -2.492 -3.871 1.00 0.00 C ATOM 384 CD GLN A 28 -15.107 -2.777 -5.265 1.00 0.00 C ATOM 385 OE1 GLN A 28 -16.054 -3.546 -5.439 1.00 0.00 O ATOM 386 NE2 GLN A 28 -14.494 -2.158 -6.267 1.00 0.00 N ATOM 0 H GLN A 28 -16.106 -1.189 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.239 -1.251 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.698 -0.686 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.077 -0.443 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.547 -2.823 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.153 -3.074 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.714 -1.529 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.804 -2.311 -7.227 1.00 0.00 H new ATOM 395 N SER A 29 -14.319 1.353 -0.827 1.00 0.00 N ATOM 396 CA SER A 29 -14.123 2.776 -0.570 1.00 0.00 C ATOM 397 C SER A 29 -13.434 2.996 0.773 1.00 0.00 C ATOM 398 O SER A 29 -13.636 4.019 1.427 1.00 0.00 O ATOM 399 CB SER A 29 -15.465 3.509 -0.594 1.00 0.00 C ATOM 400 OG SER A 29 -15.791 3.935 -1.906 1.00 0.00 O ATOM 0 H SER A 29 -14.800 0.852 -0.080 1.00 0.00 H new ATOM 0 HA SER A 29 -13.484 3.177 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.248 2.852 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.424 4.371 0.072 1.00 0.00 H new ATOM 0 HG SER A 29 -16.654 4.399 -1.894 1.00 0.00 H new ATOM 406 N VAL A 30 -12.618 2.028 1.178 1.00 0.00 N ATOM 407 CA VAL A 30 -11.897 2.115 2.442 1.00 0.00 C ATOM 408 C VAL A 30 -10.415 1.813 2.251 1.00 0.00 C ATOM 409 O VAL A 30 -10.048 0.854 1.571 1.00 0.00 O ATOM 410 CB VAL A 30 -12.477 1.143 3.487 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.669 1.198 4.774 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.941 1.460 3.753 1.00 0.00 C ATOM 0 H VAL A 30 -12.440 1.174 0.649 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.013 3.137 2.803 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.414 0.130 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.094 0.505 5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.636 0.919 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.698 2.210 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.335 0.764 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.030 2.479 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.508 1.364 2.827 1.00 0.00 H new ATOM 422 N TYR A 31 -9.566 2.636 2.857 1.00 0.00 N ATOM 423 CA TYR A 31 -8.123 2.459 2.752 1.00 0.00 C ATOM 424 C TYR A 31 -7.489 2.326 4.133 1.00 0.00 C ATOM 425 O TYR A 31 -7.387 3.302 4.878 1.00 0.00 O ATOM 426 CB TYR A 31 -7.496 3.635 2.002 1.00 0.00 C ATOM 427 CG TYR A 31 -8.037 3.818 0.602 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.932 2.804 -0.343 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.655 5.004 0.224 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.424 2.967 -1.623 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.151 5.175 -1.054 1.00 0.00 C ATOM 432 CZ TYR A 31 -9.033 4.154 -1.974 1.00 0.00 C ATOM 433 OH TYR A 31 -9.526 4.320 -3.248 1.00 0.00 O ATOM 0 H TYR A 31 -9.853 3.432 3.426 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.935 1.541 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.666 4.549 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.417 3.488 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.457 1.873 -0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.749 5.806 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.332 2.169 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.629 6.103 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.925 5.211 -3.331 1.00 0.00 H new ATOM 443 N CYS A 32 -7.064 1.113 4.468 1.00 0.00 N ATOM 444 CA CYS A 32 -6.439 0.851 5.760 1.00 0.00 C ATOM 445 C CYS A 32 -4.950 0.564 5.595 1.00 0.00 C ATOM 446 O CYS A 32 -4.491 0.215 4.508 1.00 0.00 O ATOM 447 CB CYS A 32 -7.125 -0.329 6.451 1.00 0.00 C ATOM 448 SG CYS A 32 -8.708 0.085 7.220 1.00 0.00 S ATOM 0 H CYS A 32 -7.141 0.295 3.863 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.552 1.741 6.379 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.285 -1.122 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.456 -0.729 7.213 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.211 -0.977 7.776 1.00 0.00 H new ATOM 454 N VAL A 33 -4.200 0.716 6.682 1.00 0.00 N ATOM 455 CA VAL A 33 -2.762 0.475 6.659 1.00 0.00 C ATOM 456 C VAL A 33 -2.453 -1.014 6.777 1.00 0.00 C ATOM 457 O VAL A 33 -2.768 -1.646 7.786 1.00 0.00 O ATOM 458 CB VAL A 33 -2.048 1.228 7.797 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.810 1.067 9.104 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.615 0.739 7.942 1.00 0.00 C ATOM 0 H VAL A 33 -4.565 1.005 7.590 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.394 0.845 5.702 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.022 2.289 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.291 1.606 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.816 1.470 8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.870 0.010 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.125 1.282 8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.616 -0.327 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.076 0.911 7.011 1.00 0.00 H new ATOM 470 N LEU A 34 -1.835 -1.568 5.740 1.00 0.00 N ATOM 471 CA LEU A 34 -1.482 -2.983 5.727 1.00 0.00 C ATOM 472 C LEU A 34 0.032 -3.166 5.688 1.00 0.00 C ATOM 473 O LEU A 34 0.774 -2.232 5.385 1.00 0.00 O ATOM 474 CB LEU A 34 -2.122 -3.677 4.524 1.00 0.00 C ATOM 475 CG LEU A 34 -3.641 -3.550 4.405 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.068 -3.591 2.946 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.333 -4.650 5.197 1.00 0.00 C ATOM 0 H LEU A 34 -1.568 -1.059 4.897 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.861 -3.435 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.672 -3.275 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.868 -4.736 4.564 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.939 -2.588 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.152 -3.499 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.601 -2.766 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.757 -4.537 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.413 -4.543 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.029 -5.623 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.053 -4.573 6.248 1.00 0.00 H new ATOM 489 N THR A 35 0.485 -4.378 5.995 1.00 0.00 N ATOM 490 CA THR A 35 1.909 -4.685 5.994 1.00 0.00 C ATOM 491 C THR A 35 2.175 -6.063 5.401 1.00 0.00 C ATOM 492 O THR A 35 1.607 -7.061 5.844 1.00 0.00 O ATOM 493 CB THR A 35 2.497 -4.629 7.417 1.00 0.00 C ATOM 494 OG1 THR A 35 2.251 -3.344 7.999 1.00 0.00 O ATOM 495 CG2 THR A 35 3.993 -4.905 7.396 1.00 0.00 C ATOM 0 H THR A 35 -0.115 -5.163 6.248 1.00 0.00 H new ATOM 0 HA THR A 35 2.394 -3.928 5.378 1.00 0.00 H new ATOM 0 HB THR A 35 2.011 -5.398 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.393 -3.358 8.472 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.386 -4.860 8.412 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.174 -5.896 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.492 -4.157 6.781 1.00 0.00 H new ATOM 503 N VAL A 36 3.042 -6.112 4.394 1.00 0.00 N ATOM 504 CA VAL A 36 3.384 -7.370 3.741 1.00 0.00 C ATOM 505 C VAL A 36 3.894 -8.393 4.749 1.00 0.00 C ATOM 506 O VAL A 36 4.993 -8.256 5.286 1.00 0.00 O ATOM 507 CB VAL A 36 4.453 -7.163 2.651 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.777 -8.481 1.964 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.988 -6.126 1.640 1.00 0.00 C ATOM 0 H VAL A 36 3.520 -5.295 4.013 1.00 0.00 H new ATOM 0 HA VAL A 36 2.471 -7.745 3.279 1.00 0.00 H new ATOM 0 HB VAL A 36 5.363 -6.794 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.534 -8.315 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.155 -9.191 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.875 -8.882 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.755 -5.992 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.064 -6.464 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.811 -5.177 2.147 1.00 0.00 H new ATOM 519 N ALA A 37 3.087 -9.418 5.003 1.00 0.00 N ATOM 520 CA ALA A 37 3.458 -10.467 5.945 1.00 0.00 C ATOM 521 C ALA A 37 4.099 -11.649 5.227 1.00 0.00 C ATOM 522 O ALA A 37 4.964 -12.327 5.781 1.00 0.00 O ATOM 523 CB ALA A 37 2.238 -10.923 6.733 1.00 0.00 C ATOM 0 H ALA A 37 2.172 -9.544 4.570 1.00 0.00 H new ATOM 0 HA ALA A 37 4.192 -10.056 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.529 -11.706 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.825 -10.079 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.485 -11.311 6.046 1.00 0.00 H new ATOM 529 N GLU A 38 3.669 -11.890 3.993 1.00 0.00 N ATOM 530 CA GLU A 38 4.202 -12.993 3.201 1.00 0.00 C ATOM 531 C GLU A 38 4.089 -12.694 1.709 1.00 0.00 C ATOM 532 O GLU A 38 3.237 -11.915 1.282 1.00 0.00 O ATOM 533 CB GLU A 38 3.462 -14.291 3.530 1.00 0.00 C ATOM 534 CG GLU A 38 4.298 -15.540 3.313 1.00 0.00 C ATOM 535 CD GLU A 38 5.560 -15.551 4.155 1.00 0.00 C ATOM 536 OE1 GLU A 38 6.571 -14.966 3.714 1.00 0.00 O ATOM 537 OE2 GLU A 38 5.535 -16.144 5.253 1.00 0.00 O ATOM 0 H GLU A 38 2.954 -11.337 3.520 1.00 0.00 H new ATOM 0 HA GLU A 38 5.256 -13.111 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.135 -14.259 4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.564 -14.353 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.699 -16.419 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.568 -15.614 2.260 1.00 0.00 H new ATOM 544 N VAL A 39 4.957 -13.320 0.919 1.00 0.00 N ATOM 545 CA VAL A 39 4.955 -13.123 -0.526 1.00 0.00 C ATOM 546 C VAL A 39 5.132 -14.447 -1.261 1.00 0.00 C ATOM 547 O VAL A 39 6.047 -15.216 -0.964 1.00 0.00 O ATOM 548 CB VAL A 39 6.071 -12.154 -0.961 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.092 -12.009 -2.475 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.892 -10.800 -0.290 1.00 0.00 C ATOM 0 H VAL A 39 5.670 -13.967 1.256 1.00 0.00 H new ATOM 0 HA VAL A 39 3.988 -12.693 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 39 7.030 -12.566 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.887 -11.321 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.272 -12.982 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.133 -11.620 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.689 -10.128 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.927 -10.379 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.931 -10.922 0.792 1.00 0.00 H new ATOM 560 N CYS A 40 4.251 -14.705 -2.221 1.00 0.00 N ATOM 561 CA CYS A 40 4.309 -15.937 -3.000 1.00 0.00 C ATOM 562 C CYS A 40 3.584 -15.773 -4.332 1.00 0.00 C ATOM 563 O CYS A 40 2.833 -14.819 -4.528 1.00 0.00 O ATOM 564 CB CYS A 40 3.695 -17.094 -2.210 1.00 0.00 C ATOM 565 SG CYS A 40 4.406 -18.711 -2.596 1.00 0.00 S ATOM 0 H CYS A 40 3.489 -14.078 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 40 5.356 -16.161 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.820 -16.899 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.623 -17.124 -2.405 1.00 0.00 H new ATOM 0 HG CYS A 40 3.824 -19.624 -1.877 1.00 0.00 H new ATOM 571 N GLY A 41 3.815 -16.711 -5.245 1.00 0.00 N ATOM 572 CA GLY A 41 3.178 -16.651 -6.548 1.00 0.00 C ATOM 573 C GLY A 41 3.023 -15.230 -7.053 1.00 0.00 C ATOM 574 O GLY A 41 3.842 -14.363 -6.748 1.00 0.00 O ATOM 0 H GLY A 41 4.432 -17.511 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.767 -17.225 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.197 -17.122 -6.491 1.00 0.00 H new ATOM 578 N TYR A 42 1.971 -14.991 -7.827 1.00 0.00 N ATOM 579 CA TYR A 42 1.713 -13.666 -8.379 1.00 0.00 C ATOM 580 C TYR A 42 0.795 -12.863 -7.463 1.00 0.00 C ATOM 581 O TYR A 42 -0.116 -12.176 -7.925 1.00 0.00 O ATOM 582 CB TYR A 42 1.089 -13.783 -9.771 1.00 0.00 C ATOM 583 CG TYR A 42 1.429 -12.628 -10.686 1.00 0.00 C ATOM 584 CD1 TYR A 42 0.686 -11.454 -10.661 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.494 -12.711 -11.574 1.00 0.00 C ATOM 586 CE1 TYR A 42 0.993 -10.397 -11.496 1.00 0.00 C ATOM 587 CE2 TYR A 42 2.809 -11.658 -12.412 1.00 0.00 C ATOM 588 CZ TYR A 42 2.056 -10.504 -12.369 1.00 0.00 C ATOM 589 OH TYR A 42 2.366 -9.453 -13.202 1.00 0.00 O ATOM 0 H TYR A 42 1.283 -15.697 -8.087 1.00 0.00 H new ATOM 0 HA TYR A 42 2.665 -13.142 -8.458 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.423 -14.712 -10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.006 -13.849 -9.670 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.145 -11.366 -9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.086 -13.614 -11.610 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.404 -9.492 -11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.640 -11.739 -13.097 1.00 0.00 H new ATOM 0 HH TYR A 42 3.141 -9.690 -13.753 1.00 0.00 H new ATOM 599 N ARG A 43 1.043 -12.955 -6.160 1.00 0.00 N ATOM 600 CA ARG A 43 0.239 -12.238 -5.178 1.00 0.00 C ATOM 601 C ARG A 43 1.060 -11.920 -3.931 1.00 0.00 C ATOM 602 O ARG A 43 2.224 -12.309 -3.827 1.00 0.00 O ATOM 603 CB ARG A 43 -0.991 -13.063 -4.794 1.00 0.00 C ATOM 604 CG ARG A 43 -2.165 -12.884 -5.742 1.00 0.00 C ATOM 605 CD ARG A 43 -3.341 -13.762 -5.345 1.00 0.00 C ATOM 606 NE ARG A 43 -4.569 -13.378 -6.037 1.00 0.00 N ATOM 607 CZ ARG A 43 -5.666 -14.127 -6.058 1.00 0.00 C ATOM 608 NH1 ARG A 43 -5.687 -15.294 -5.429 1.00 0.00 N ATOM 609 NH2 ARG A 43 -6.744 -13.709 -6.709 1.00 0.00 N ATOM 0 H ARG A 43 1.794 -13.519 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.087 -11.300 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.716 -14.117 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.303 -12.787 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.475 -11.839 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.854 -13.128 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.108 -14.803 -5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.496 -13.696 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.585 -12.486 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.860 -15.618 -4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.530 -15.868 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.731 -12.812 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.586 -14.285 -6.724 1.00 0.00 H new ATOM 623 N ILE A 44 0.447 -11.210 -2.990 1.00 0.00 N ATOM 624 CA ILE A 44 1.121 -10.840 -1.752 1.00 0.00 C ATOM 625 C ILE A 44 0.153 -10.854 -0.574 1.00 0.00 C ATOM 626 O ILE A 44 -0.972 -10.363 -0.674 1.00 0.00 O ATOM 627 CB ILE A 44 1.764 -9.445 -1.857 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.718 -8.406 -2.265 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.915 -9.466 -2.852 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.157 -6.979 -2.023 1.00 0.00 C ATOM 0 H ILE A 44 -0.515 -10.880 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 44 1.903 -11.580 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 44 2.160 -9.169 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.486 -8.532 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.203 -8.593 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.359 -8.473 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.669 -10.180 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.542 -9.760 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.366 -6.297 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.361 -6.836 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.061 -6.774 -2.597 1.00 0.00 H new ATOM 642 N LYS A 45 0.597 -11.419 0.543 1.00 0.00 N ATOM 643 CA LYS A 45 -0.227 -11.495 1.744 1.00 0.00 C ATOM 644 C LYS A 45 -0.441 -10.110 2.345 1.00 0.00 C ATOM 645 O LYS A 45 0.496 -9.317 2.452 1.00 0.00 O ATOM 646 CB LYS A 45 0.424 -12.417 2.777 1.00 0.00 C ATOM 647 CG LYS A 45 -0.554 -12.975 3.796 1.00 0.00 C ATOM 648 CD LYS A 45 0.017 -14.189 4.511 1.00 0.00 C ATOM 649 CE LYS A 45 -1.078 -15.015 5.168 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.709 -16.455 5.256 1.00 0.00 N ATOM 0 H LYS A 45 1.524 -11.832 0.642 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.198 -11.904 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.908 -13.245 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.207 -11.867 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.800 -12.204 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.484 -13.249 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.564 -14.808 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.732 -13.864 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.274 -14.628 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.002 -14.911 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.481 -16.984 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.547 -16.831 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.159 -16.557 5.820 1.00 0.00 H new ATOM 664 N LEU A 46 -1.678 -9.825 2.738 1.00 0.00 N ATOM 665 CA LEU A 46 -2.014 -8.536 3.331 1.00 0.00 C ATOM 666 C LEU A 46 -2.398 -8.695 4.799 1.00 0.00 C ATOM 667 O LEU A 46 -3.374 -9.371 5.126 1.00 0.00 O ATOM 668 CB LEU A 46 -3.162 -7.881 2.560 1.00 0.00 C ATOM 669 CG LEU A 46 -2.760 -7.022 1.361 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.883 -5.862 1.805 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.043 -7.865 0.316 1.00 0.00 C ATOM 0 H LEU A 46 -2.464 -10.469 2.656 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.133 -7.897 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.833 -8.666 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.731 -7.260 3.252 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.666 -6.615 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.607 -5.262 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.431 -5.243 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.982 -6.249 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.765 -7.237 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.146 -8.302 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.705 -8.661 -0.026 1.00 0.00 H new ATOM 683 N HIS A 47 -1.626 -8.066 5.679 1.00 0.00 N ATOM 684 CA HIS A 47 -1.887 -8.136 7.112 1.00 0.00 C ATOM 685 C HIS A 47 -2.516 -6.839 7.614 1.00 0.00 C ATOM 686 O HIS A 47 -2.074 -5.746 7.261 1.00 0.00 O ATOM 687 CB HIS A 47 -0.592 -8.416 7.875 1.00 0.00 C ATOM 688 CG HIS A 47 -0.680 -8.107 9.338 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.496 -8.800 10.206 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.045 -7.174 10.085 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.362 -8.305 11.424 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.487 -7.317 11.378 1.00 0.00 N ATOM 0 H HIS A 47 -0.815 -7.502 5.425 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.588 -8.952 7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.325 -9.465 7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.213 -7.828 7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.675 -6.451 9.731 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.880 -8.650 12.307 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.188 -6.752 12.173 1.00 0.00 H new ATOM 701 N PHE A 48 -3.551 -6.969 8.437 1.00 0.00 N ATOM 702 CA PHE A 48 -4.242 -5.808 8.986 1.00 0.00 C ATOM 703 C PHE A 48 -3.621 -5.382 10.313 1.00 0.00 C ATOM 704 O PHE A 48 -3.816 -6.035 11.339 1.00 0.00 O ATOM 705 CB PHE A 48 -5.728 -6.117 9.180 1.00 0.00 C ATOM 706 CG PHE A 48 -6.557 -5.869 7.952 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.829 -4.577 7.533 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.063 -6.929 7.217 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.592 -4.346 6.404 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.827 -6.704 6.087 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.091 -5.411 5.679 1.00 0.00 C ATOM 0 H PHE A 48 -3.930 -7.867 8.739 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.139 -4.986 8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.838 -7.159 9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.114 -5.509 9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.440 -3.741 8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.858 -7.942 7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.798 -3.334 6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.217 -7.539 5.524 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.686 -5.233 4.795 1.00 0.00 H new ATOM 721 N ASP A 49 -2.874 -4.285 10.285 1.00 0.00 N ATOM 722 CA ASP A 49 -2.225 -3.771 11.486 1.00 0.00 C ATOM 723 C ASP A 49 -3.230 -3.613 12.622 1.00 0.00 C ATOM 724 O ASP A 49 -3.967 -2.629 12.680 1.00 0.00 O ATOM 725 CB ASP A 49 -1.552 -2.429 11.193 1.00 0.00 C ATOM 726 CG ASP A 49 -0.137 -2.591 10.673 1.00 0.00 C ATOM 727 OD1 ASP A 49 0.682 -3.224 11.371 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.151 -2.086 9.567 1.00 0.00 O ATOM 0 H ASP A 49 -2.702 -3.734 9.444 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.466 -4.490 11.795 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.145 -1.881 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.535 -1.828 12.102 1.00 0.00 H new ATOM 733 N GLY A 50 -3.255 -4.590 13.524 1.00 0.00 N ATOM 734 CA GLY A 50 -4.175 -4.540 14.645 1.00 0.00 C ATOM 735 C GLY A 50 -5.077 -5.757 14.709 1.00 0.00 C ATOM 736 O GLY A 50 -5.006 -6.542 15.655 1.00 0.00 O ATOM 0 H GLY A 50 -2.655 -5.414 13.498 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.608 -4.462 15.573 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.787 -3.641 14.569 1.00 0.00 H new ATOM 740 N TYR A 51 -5.929 -5.913 13.702 1.00 0.00 N ATOM 741 CA TYR A 51 -6.853 -7.040 13.649 1.00 0.00 C ATOM 742 C TYR A 51 -6.095 -8.362 13.574 1.00 0.00 C ATOM 743 O TYR A 51 -4.889 -8.386 13.327 1.00 0.00 O ATOM 744 CB TYR A 51 -7.786 -6.906 12.445 1.00 0.00 C ATOM 745 CG TYR A 51 -8.646 -5.662 12.481 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.885 -5.668 13.109 1.00 0.00 C ATOM 747 CD2 TYR A 51 -8.219 -4.481 11.886 1.00 0.00 C ATOM 748 CE1 TYR A 51 -10.674 -4.535 13.144 1.00 0.00 C ATOM 749 CE2 TYR A 51 -9.000 -3.343 11.917 1.00 0.00 C ATOM 750 CZ TYR A 51 -10.227 -3.374 12.547 1.00 0.00 C ATOM 751 OH TYR A 51 -11.009 -2.243 12.579 1.00 0.00 O ATOM 0 H TYR A 51 -5.999 -5.273 12.911 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.447 -7.033 14.563 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.190 -6.899 11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.432 -7.783 12.397 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.238 -6.575 13.578 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.260 -4.453 11.391 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.635 -4.558 13.636 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.652 -2.433 11.450 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.548 -1.513 12.114 1.00 0.00 H new ATOM 761 N SER A 52 -6.812 -9.460 13.789 1.00 0.00 N ATOM 762 CA SER A 52 -6.208 -10.787 13.749 1.00 0.00 C ATOM 763 C SER A 52 -5.748 -11.133 12.336 1.00 0.00 C ATOM 764 O SER A 52 -6.321 -10.664 11.353 1.00 0.00 O ATOM 765 CB SER A 52 -7.202 -11.838 14.246 1.00 0.00 C ATOM 766 OG SER A 52 -6.529 -12.974 14.762 1.00 0.00 O ATOM 0 H SER A 52 -7.811 -9.457 13.993 1.00 0.00 H new ATOM 0 HA SER A 52 -5.337 -10.782 14.404 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.837 -11.405 15.019 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.856 -12.140 13.428 1.00 0.00 H new ATOM 0 HG SER A 52 -7.187 -13.630 15.075 1.00 0.00 H new ATOM 772 N ASP A 53 -4.710 -11.956 12.244 1.00 0.00 N ATOM 773 CA ASP A 53 -4.173 -12.367 10.952 1.00 0.00 C ATOM 774 C ASP A 53 -5.200 -13.180 10.169 1.00 0.00 C ATOM 775 O ASP A 53 -5.243 -13.125 8.940 1.00 0.00 O ATOM 776 CB ASP A 53 -2.895 -13.186 11.143 1.00 0.00 C ATOM 777 CG ASP A 53 -2.418 -13.825 9.854 1.00 0.00 C ATOM 778 OD1 ASP A 53 -3.070 -14.784 9.391 1.00 0.00 O ATOM 779 OD2 ASP A 53 -1.393 -13.366 9.308 1.00 0.00 O ATOM 0 H ASP A 53 -4.223 -12.352 13.048 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.938 -11.468 10.383 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.110 -12.541 11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.073 -13.963 11.886 1.00 0.00 H new ATOM 784 N CYS A 54 -6.024 -13.933 10.890 1.00 0.00 N ATOM 785 CA CYS A 54 -7.049 -14.759 10.263 1.00 0.00 C ATOM 786 C CYS A 54 -7.799 -13.975 9.191 1.00 0.00 C ATOM 787 O CYS A 54 -8.169 -14.522 8.152 1.00 0.00 O ATOM 788 CB CYS A 54 -8.032 -15.274 11.316 1.00 0.00 C ATOM 789 SG CYS A 54 -7.471 -16.756 12.187 1.00 0.00 S ATOM 0 H CYS A 54 -6.002 -13.988 11.908 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.557 -15.608 9.789 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.214 -14.484 12.045 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.986 -15.488 10.833 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.368 -17.113 13.058 1.00 0.00 H new ATOM 795 N TYR A 55 -8.020 -12.691 9.450 1.00 0.00 N ATOM 796 CA TYR A 55 -8.729 -11.832 8.510 1.00 0.00 C ATOM 797 C TYR A 55 -7.771 -11.247 7.477 1.00 0.00 C ATOM 798 O TYR A 55 -7.909 -10.094 7.068 1.00 0.00 O ATOM 799 CB TYR A 55 -9.443 -10.703 9.255 1.00 0.00 C ATOM 800 CG TYR A 55 -10.235 -11.176 10.454 1.00 0.00 C ATOM 801 CD1 TYR A 55 -11.280 -12.079 10.309 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.936 -10.719 11.732 1.00 0.00 C ATOM 803 CE1 TYR A 55 -12.006 -12.513 11.402 1.00 0.00 C ATOM 804 CE2 TYR A 55 -10.655 -11.149 12.830 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.690 -12.045 12.660 1.00 0.00 C ATOM 806 OH TYR A 55 -12.410 -12.475 13.751 1.00 0.00 O ATOM 0 H TYR A 55 -7.718 -12.222 10.304 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.469 -12.440 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.705 -9.971 9.583 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.114 -10.191 8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.530 -12.448 9.325 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.128 -10.016 11.869 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.816 -13.215 11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.408 -10.786 13.817 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.059 -12.051 14.562 1.00 0.00 H new ATOM 816 N ASP A 56 -6.799 -12.051 7.059 1.00 0.00 N ATOM 817 CA ASP A 56 -5.818 -11.616 6.072 1.00 0.00 C ATOM 818 C ASP A 56 -6.168 -12.146 4.686 1.00 0.00 C ATOM 819 O ASP A 56 -6.727 -13.235 4.549 1.00 0.00 O ATOM 820 CB ASP A 56 -4.418 -12.085 6.473 1.00 0.00 C ATOM 821 CG ASP A 56 -3.864 -11.312 7.653 1.00 0.00 C ATOM 822 OD1 ASP A 56 -4.376 -10.208 7.933 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.918 -11.812 8.298 1.00 0.00 O ATOM 0 H ASP A 56 -6.670 -13.008 7.389 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.832 -10.527 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.451 -13.146 6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.744 -11.977 5.623 1.00 0.00 H new ATOM 828 N PHE A 57 -5.837 -11.370 3.659 1.00 0.00 N ATOM 829 CA PHE A 57 -6.119 -11.761 2.283 1.00 0.00 C ATOM 830 C PHE A 57 -4.920 -11.479 1.382 1.00 0.00 C ATOM 831 O PHE A 57 -3.962 -10.825 1.792 1.00 0.00 O ATOM 832 CB PHE A 57 -7.350 -11.017 1.761 1.00 0.00 C ATOM 833 CG PHE A 57 -7.190 -9.523 1.756 1.00 0.00 C ATOM 834 CD1 PHE A 57 -7.166 -8.812 2.944 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.063 -8.831 0.562 1.00 0.00 C ATOM 836 CE1 PHE A 57 -7.020 -7.437 2.942 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.916 -7.457 0.554 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.893 -6.759 1.745 1.00 0.00 C ATOM 0 H PHE A 57 -5.373 -10.467 3.754 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.318 -12.833 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.566 -11.355 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.211 -11.280 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.262 -9.337 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.079 -9.372 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.005 -6.894 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.819 -6.929 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.776 -5.685 1.741 1.00 0.00 H new ATOM 848 N TRP A 58 -4.982 -11.979 0.153 1.00 0.00 N ATOM 849 CA TRP A 58 -3.902 -11.782 -0.807 1.00 0.00 C ATOM 850 C TRP A 58 -4.371 -10.942 -1.990 1.00 0.00 C ATOM 851 O TRP A 58 -5.387 -11.246 -2.616 1.00 0.00 O ATOM 852 CB TRP A 58 -3.378 -13.132 -1.300 1.00 0.00 C ATOM 853 CG TRP A 58 -2.736 -13.950 -0.221 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.303 -14.338 0.960 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.406 -14.478 -0.223 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.404 -15.076 1.692 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.233 -15.177 0.988 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.344 -14.431 -1.130 1.00 0.00 C ATOM 859 CZ2 TRP A 58 -0.042 -15.820 1.312 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.838 -15.070 -0.807 1.00 0.00 C ATOM 861 CH2 TRP A 58 0.981 -15.758 0.406 1.00 0.00 C ATOM 0 H TRP A 58 -5.768 -12.523 -0.202 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.095 -11.248 -0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.203 -13.698 -1.733 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.654 -12.963 -2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.309 -14.100 1.272 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.580 -15.483 2.611 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.445 -13.904 -2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.071 -16.350 2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.665 -15.039 -1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.917 -16.249 0.630 1.00 0.00 H new ATOM 872 N VAL A 59 -3.625 -9.885 -2.293 1.00 0.00 N ATOM 873 CA VAL A 59 -3.965 -9.002 -3.402 1.00 0.00 C ATOM 874 C VAL A 59 -2.993 -9.180 -4.564 1.00 0.00 C ATOM 875 O VAL A 59 -1.997 -9.892 -4.449 1.00 0.00 O ATOM 876 CB VAL A 59 -3.960 -7.525 -2.966 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.908 -7.311 -1.795 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.550 -7.079 -2.609 1.00 0.00 C ATOM 0 H VAL A 59 -2.781 -9.619 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.969 -9.274 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.308 -6.917 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.891 -6.262 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.920 -7.589 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.593 -7.929 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.566 -6.033 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.171 -7.691 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.901 -7.193 -3.477 1.00 0.00 H new ATOM 888 N ASN A 60 -3.290 -8.526 -5.682 1.00 0.00 N ATOM 889 CA ASN A 60 -2.442 -8.612 -6.866 1.00 0.00 C ATOM 890 C ASN A 60 -1.178 -7.776 -6.691 1.00 0.00 C ATOM 891 O ASN A 60 -1.232 -6.640 -6.221 1.00 0.00 O ATOM 892 CB ASN A 60 -3.210 -8.143 -8.103 1.00 0.00 C ATOM 893 CG ASN A 60 -4.548 -8.841 -8.253 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.531 -8.466 -7.613 1.00 0.00 O ATOM 895 ND2 ASN A 60 -4.591 -9.862 -9.101 1.00 0.00 N ATOM 0 H ASN A 60 -4.111 -7.931 -5.793 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.151 -9.654 -7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.370 -7.067 -8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.607 -8.325 -8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.464 -10.370 -9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.751 -10.138 -9.610 1.00 0.00 H new ATOM 902 N ALA A 61 -0.040 -8.347 -7.073 1.00 0.00 N ATOM 903 CA ALA A 61 1.238 -7.655 -6.961 1.00 0.00 C ATOM 904 C ALA A 61 1.165 -6.264 -7.583 1.00 0.00 C ATOM 905 O ALA A 61 1.795 -5.324 -7.099 1.00 0.00 O ATOM 906 CB ALA A 61 2.340 -8.472 -7.619 1.00 0.00 C ATOM 0 H ALA A 61 0.023 -9.287 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 61 1.469 -7.540 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.289 -7.943 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.417 -9.442 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.105 -8.617 -8.674 1.00 0.00 H new ATOM 912 N ASP A 62 0.393 -6.142 -8.658 1.00 0.00 N ATOM 913 CA ASP A 62 0.238 -4.865 -9.345 1.00 0.00 C ATOM 914 C ASP A 62 -1.207 -4.382 -9.275 1.00 0.00 C ATOM 915 O ASP A 62 -1.772 -3.934 -10.272 1.00 0.00 O ATOM 916 CB ASP A 62 0.675 -4.992 -10.806 1.00 0.00 C ATOM 917 CG ASP A 62 2.183 -5.024 -10.957 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.793 -6.058 -10.611 1.00 0.00 O ATOM 919 OD2 ASP A 62 2.754 -4.016 -11.423 1.00 0.00 O ATOM 0 H ASP A 62 -0.134 -6.911 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 62 0.872 -4.132 -8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.251 -5.901 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.273 -4.155 -11.377 1.00 0.00 H new ATOM 924 N ALA A 63 -1.801 -4.478 -8.089 1.00 0.00 N ATOM 925 CA ALA A 63 -3.179 -4.050 -7.888 1.00 0.00 C ATOM 926 C ALA A 63 -3.268 -2.536 -7.738 1.00 0.00 C ATOM 927 O ALA A 63 -2.362 -1.901 -7.196 1.00 0.00 O ATOM 928 CB ALA A 63 -3.773 -4.739 -6.668 1.00 0.00 C ATOM 0 H ALA A 63 -1.348 -4.849 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.754 -4.335 -8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.803 -4.410 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.754 -5.819 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.188 -4.482 -5.785 1.00 0.00 H new ATOM 934 N LEU A 64 -4.364 -1.961 -8.221 1.00 0.00 N ATOM 935 CA LEU A 64 -4.570 -0.519 -8.141 1.00 0.00 C ATOM 936 C LEU A 64 -5.049 -0.114 -6.751 1.00 0.00 C ATOM 937 O LEU A 64 -4.491 0.792 -6.131 1.00 0.00 O ATOM 938 CB LEU A 64 -5.586 -0.070 -9.193 1.00 0.00 C ATOM 939 CG LEU A 64 -5.328 -0.550 -10.622 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.550 -0.306 -11.495 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.107 0.145 -11.206 1.00 0.00 C ATOM 0 H LEU A 64 -5.123 -2.471 -8.672 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.615 -0.029 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.573 -0.417 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.618 1.020 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.133 -1.622 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.349 -0.654 -12.508 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.403 -0.850 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.776 0.760 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.939 -0.209 -12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.273 1.222 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.233 -0.080 -10.594 1.00 0.00 H new ATOM 953 N ASP A 65 -6.083 -0.791 -6.266 1.00 0.00 N ATOM 954 CA ASP A 65 -6.635 -0.505 -4.947 1.00 0.00 C ATOM 955 C ASP A 65 -5.526 -0.161 -3.957 1.00 0.00 C ATOM 956 O ASP A 65 -5.573 0.876 -3.294 1.00 0.00 O ATOM 957 CB ASP A 65 -7.439 -1.701 -4.436 1.00 0.00 C ATOM 958 CG ASP A 65 -6.685 -3.008 -4.576 1.00 0.00 C ATOM 959 OD1 ASP A 65 -6.265 -3.333 -5.707 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.512 -3.706 -3.555 1.00 0.00 O ATOM 0 H ASP A 65 -6.557 -1.543 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.298 0.356 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.694 -1.543 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.378 -1.766 -4.986 1.00 0.00 H new ATOM 965 N ILE A 66 -4.532 -1.037 -3.862 1.00 0.00 N ATOM 966 CA ILE A 66 -3.412 -0.826 -2.954 1.00 0.00 C ATOM 967 C ILE A 66 -2.570 0.369 -3.388 1.00 0.00 C ATOM 968 O ILE A 66 -2.365 0.597 -4.581 1.00 0.00 O ATOM 969 CB ILE A 66 -2.511 -2.072 -2.871 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.867 -2.354 -4.230 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.314 -3.276 -2.400 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.767 -3.391 -4.175 1.00 0.00 C ATOM 0 H ILE A 66 -4.479 -1.900 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.837 -0.630 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.719 -1.882 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.637 -2.689 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.460 -1.425 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.663 -4.149 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.730 -3.072 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.124 -3.470 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.357 -3.540 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.022 -3.049 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.173 -4.333 -3.806 1.00 0.00 H new ATOM 984 N HIS A 67 -2.081 1.127 -2.412 1.00 0.00 N ATOM 985 CA HIS A 67 -1.257 2.298 -2.693 1.00 0.00 C ATOM 986 C HIS A 67 -0.092 2.391 -1.713 1.00 0.00 C ATOM 987 O HIS A 67 -0.167 1.924 -0.576 1.00 0.00 O ATOM 988 CB HIS A 67 -2.102 3.571 -2.622 1.00 0.00 C ATOM 989 CG HIS A 67 -3.056 3.722 -3.766 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.658 3.700 -5.086 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.398 3.896 -3.783 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.713 3.856 -5.865 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.782 3.976 -5.099 1.00 0.00 N ATOM 0 H HIS A 67 -2.241 0.952 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.853 2.194 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.664 3.572 -1.688 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.439 4.436 -2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.046 3.960 -2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.703 3.881 -6.945 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.738 4.107 -5.431 1.00 0.00 H new ATOM 1002 N PRO A 68 1.012 3.007 -2.161 1.00 0.00 N ATOM 1003 CA PRO A 68 2.214 3.175 -1.339 1.00 0.00 C ATOM 1004 C PRO A 68 2.004 4.167 -0.201 1.00 0.00 C ATOM 1005 O PRO A 68 1.074 4.974 -0.231 1.00 0.00 O ATOM 1006 CB PRO A 68 3.250 3.710 -2.331 1.00 0.00 C ATOM 1007 CG PRO A 68 2.447 4.376 -3.395 1.00 0.00 C ATOM 1008 CD PRO A 68 1.171 3.587 -3.505 1.00 0.00 C ATOM 0 HA PRO A 68 2.509 2.245 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.932 4.412 -1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.859 2.904 -2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.242 5.415 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.985 4.383 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.327 4.223 -3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.241 2.814 -4.271 1.00 0.00 H new ATOM 1016 N VAL A 69 2.873 4.103 0.803 1.00 0.00 N ATOM 1017 CA VAL A 69 2.783 4.997 1.951 1.00 0.00 C ATOM 1018 C VAL A 69 2.752 6.456 1.509 1.00 0.00 C ATOM 1019 O VAL A 69 3.503 6.865 0.625 1.00 0.00 O ATOM 1020 CB VAL A 69 3.965 4.790 2.917 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.864 5.745 4.097 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.017 3.346 3.392 1.00 0.00 C ATOM 0 H VAL A 69 3.648 3.441 0.844 1.00 0.00 H new ATOM 0 HA VAL A 69 1.854 4.757 2.468 1.00 0.00 H new ATOM 0 HB VAL A 69 4.890 5.007 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.707 5.584 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.879 6.773 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.933 5.563 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.858 3.217 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.090 3.099 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.141 2.685 2.534 1.00 0.00 H new ATOM 1032 N GLY A 70 1.876 7.239 2.133 1.00 0.00 N ATOM 1033 CA GLY A 70 1.762 8.644 1.791 1.00 0.00 C ATOM 1034 C GLY A 70 0.908 8.875 0.561 1.00 0.00 C ATOM 1035 O GLY A 70 1.239 9.704 -0.287 1.00 0.00 O ATOM 0 H GLY A 70 1.244 6.925 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.333 9.186 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.757 9.055 1.621 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.194 8.140 0.461 1.00 0.00 N ATOM 1040 CA TRP A 71 -1.098 8.267 -0.677 1.00 0.00 C ATOM 1041 C TRP A 71 -2.220 9.253 -0.372 1.00 0.00 C ATOM 1042 O TRP A 71 -2.520 10.134 -1.180 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.686 6.903 -1.042 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.515 6.929 -2.290 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -2.073 6.757 -3.571 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.928 7.142 -2.376 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.127 6.850 -4.448 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.276 7.084 -3.740 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.934 7.373 -1.434 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.586 7.251 -4.182 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.233 7.538 -1.874 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.550 7.476 -3.237 1.00 0.00 C ATOM 0 H TRP A 71 -0.483 7.450 1.154 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.526 8.646 -1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.874 6.187 -1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.299 6.546 -0.214 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.047 6.575 -3.853 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.064 6.759 -5.462 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.700 7.422 -0.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.832 7.205 -5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.018 7.718 -1.154 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.576 7.608 -3.548 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.835 9.101 0.795 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.926 9.979 1.205 1.00 0.00 C ATOM 1065 C CYS A 72 -3.605 11.434 0.877 1.00 0.00 C ATOM 1066 O CYS A 72 -4.445 12.160 0.349 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.194 9.828 2.703 1.00 0.00 C ATOM 1068 SG CYS A 72 -2.762 10.183 3.748 1.00 0.00 S ATOM 0 H CYS A 72 -2.597 8.378 1.474 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.820 9.690 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.010 10.494 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.531 8.810 2.900 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.088 10.030 4.997 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.384 11.851 1.196 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.953 13.220 0.937 1.00 0.00 C ATOM 1076 C GLU A 73 -1.664 13.428 -0.546 1.00 0.00 C ATOM 1077 O GLU A 73 -1.989 14.472 -1.114 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.708 13.552 1.763 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.516 15.039 2.003 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.827 15.770 2.218 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -2.685 15.245 2.957 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -1.994 16.868 1.645 1.00 0.00 O ATOM 0 H GLU A 73 -1.676 11.261 1.634 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.762 13.890 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.774 13.043 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.171 13.158 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.123 15.183 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.004 15.476 1.151 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.050 12.428 -1.169 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.716 12.499 -2.587 1.00 0.00 C ATOM 1091 C LYS A 74 -1.909 12.988 -3.403 1.00 0.00 C ATOM 1092 O LYS A 74 -1.768 13.845 -4.276 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.265 11.128 -3.095 1.00 0.00 C ATOM 1094 CG LYS A 74 -0.118 11.056 -4.605 1.00 0.00 C ATOM 1095 CD LYS A 74 1.256 11.524 -5.054 1.00 0.00 C ATOM 1096 CE LYS A 74 1.211 12.127 -6.450 1.00 0.00 C ATOM 1097 NZ LYS A 74 2.539 12.655 -6.869 1.00 0.00 N ATOM 0 H LYS A 74 -0.773 11.558 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 74 0.101 13.211 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.689 10.875 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.985 10.376 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.282 10.031 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.885 11.671 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.638 12.263 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.950 10.683 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.880 11.371 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.476 12.932 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.467 13.057 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.844 13.395 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.235 11.882 -6.870 1.00 0.00 H new ATOM 1111 N THR A 75 -3.084 12.438 -3.112 1.00 0.00 N ATOM 1112 CA THR A 75 -4.301 12.819 -3.819 1.00 0.00 C ATOM 1113 C THR A 75 -5.125 13.807 -3.001 1.00 0.00 C ATOM 1114 O THR A 75 -5.503 14.870 -3.492 1.00 0.00 O ATOM 1115 CB THR A 75 -5.169 11.589 -4.144 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.618 10.972 -2.933 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.389 10.580 -4.974 1.00 0.00 C ATOM 0 H THR A 75 -3.219 11.728 -2.392 1.00 0.00 H new ATOM 0 HA THR A 75 -3.991 13.292 -4.751 1.00 0.00 H new ATOM 0 HB THR A 75 -6.031 11.923 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.863 10.040 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.023 9.720 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.074 11.044 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.511 10.252 -4.418 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.400 13.449 -1.751 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.178 14.316 -0.885 1.00 0.00 C ATOM 1127 C GLY A 76 -7.375 13.609 -0.281 1.00 0.00 C ATOM 1128 O GLY A 76 -8.464 14.179 -0.197 1.00 0.00 O ATOM 0 H GLY A 76 -5.098 12.574 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.540 14.692 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.520 15.181 -1.454 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.176 12.364 0.138 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.250 11.578 0.736 1.00 0.00 C ATOM 1134 C HIS A 77 -7.980 11.328 2.217 1.00 0.00 C ATOM 1135 O HIS A 77 -6.961 11.762 2.756 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.405 10.246 0.002 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.787 9.675 0.083 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.926 10.440 -0.047 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.210 8.404 0.280 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -11.990 9.666 0.069 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.583 8.425 0.267 1.00 0.00 N ATOM 0 H HIS A 77 -6.282 11.877 0.075 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.177 12.145 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.139 10.385 -1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.699 9.527 0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.584 7.535 0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.018 9.992 0.012 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.190 7.614 0.390 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.900 10.626 2.871 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.762 10.317 4.289 1.00 0.00 C ATOM 1152 C LYS A 78 -8.322 8.871 4.490 1.00 0.00 C ATOM 1153 O LYS A 78 -8.804 7.964 3.811 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.085 10.565 5.017 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.433 12.036 5.162 1.00 0.00 C ATOM 1156 CD LYS A 78 -9.874 12.616 6.450 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.429 14.006 6.723 1.00 0.00 C ATOM 1158 NZ LYS A 78 -10.059 14.495 8.079 1.00 0.00 N ATOM 0 H LYS A 78 -9.750 10.260 2.441 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.997 10.972 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.887 10.062 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.035 10.113 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.038 12.590 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.516 12.158 5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.117 11.956 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.787 12.663 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.054 14.701 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.515 13.989 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.456 15.445 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.439 13.846 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.023 14.536 8.163 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.405 8.661 5.429 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.900 7.324 5.721 1.00 0.00 C ATOM 1174 C LEU A 79 -7.573 6.748 6.963 1.00 0.00 C ATOM 1175 O LEU A 79 -7.431 7.283 8.063 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.384 7.361 5.919 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.758 6.114 6.545 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.078 4.882 5.713 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.253 6.288 6.687 1.00 0.00 C ATOM 0 H LEU A 79 -6.996 9.400 6.001 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.133 6.681 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.915 7.531 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.140 8.219 6.546 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.183 5.976 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.625 4.004 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.159 4.748 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.681 5.010 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.824 5.391 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.811 6.450 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.045 7.147 7.325 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.304 5.653 6.780 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.997 5.002 7.886 1.00 0.00 C ATOM 1193 C HIS A 80 -8.010 4.260 8.783 1.00 0.00 C ATOM 1194 O HIS A 80 -7.260 3.392 8.337 1.00 0.00 O ATOM 1195 CB HIS A 80 -10.051 4.031 7.355 1.00 0.00 C ATOM 1196 CG HIS A 80 -11.079 4.682 6.481 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.430 4.642 6.751 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.945 5.394 5.338 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -13.084 5.299 5.810 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.206 5.766 4.940 1.00 0.00 N ATOM 0 H HIS A 80 -8.432 5.198 5.876 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.491 5.773 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.554 3.241 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.552 3.555 8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.019 5.626 4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.155 5.432 5.760 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.428 6.313 4.109 1.00 0.00 H new ATOM 1209 N PRO A 81 -8.010 4.608 10.078 1.00 0.00 N ATOM 1210 CA PRO A 81 -7.120 3.987 11.065 1.00 0.00 C ATOM 1211 C PRO A 81 -7.497 2.538 11.353 1.00 0.00 C ATOM 1212 O PRO A 81 -8.604 2.088 11.057 1.00 0.00 O ATOM 1213 CB PRO A 81 -7.318 4.850 12.314 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.679 5.436 12.158 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.878 5.634 10.680 1.00 0.00 C ATOM 0 HA PRO A 81 -6.088 3.949 10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.246 4.253 13.223 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.558 5.628 12.382 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.439 4.772 12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.760 6.382 12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.921 5.497 10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.590 6.638 10.367 1.00 0.00 H new ATOM 1223 N PRO A 82 -6.556 1.788 11.945 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.766 0.378 12.287 1.00 0.00 C ATOM 1225 C PRO A 82 -7.763 0.201 13.428 1.00 0.00 C ATOM 1226 O PRO A 82 -8.515 1.119 13.757 1.00 0.00 O ATOM 1227 CB PRO A 82 -5.375 -0.095 12.716 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.681 1.139 13.179 1.00 0.00 C ATOM 1229 CD PRO A 82 -5.213 2.258 12.326 1.00 0.00 C ATOM 0 HA PRO A 82 -7.184 -0.185 11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.437 -0.837 13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.842 -0.561 11.887 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.879 1.325 14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.601 1.044 13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.257 3.197 12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.585 2.431 11.452 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.765 -0.985 14.027 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.668 -1.282 15.132 1.00 0.00 C ATOM 1239 C LYS A 83 -8.331 -0.434 16.354 1.00 0.00 C ATOM 1240 O LYS A 83 -7.235 -0.530 16.905 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.594 -2.768 15.493 1.00 0.00 C ATOM 1242 CG LYS A 83 -7.179 -3.267 15.724 1.00 0.00 C ATOM 1243 CD LYS A 83 -7.141 -4.376 16.763 1.00 0.00 C ATOM 1244 CE LYS A 83 -7.105 -3.814 18.176 1.00 0.00 C ATOM 1245 NZ LYS A 83 -7.557 -4.814 19.183 1.00 0.00 N ATOM 0 H LYS A 83 -7.151 -1.756 13.765 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.682 -1.041 14.814 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.184 -2.945 16.392 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.050 -3.351 14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.763 -3.633 14.785 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.549 -2.439 16.051 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.016 -5.015 16.647 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.264 -5.002 16.597 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.091 -3.493 18.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.740 -2.930 18.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.518 -4.392 20.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.534 -5.102 18.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.935 -5.647 19.148 1.00 0.00 H new ATOM 1259 N GLY A 84 -9.282 0.395 16.775 1.00 0.00 N ATOM 1260 CA GLY A 84 -9.066 1.246 17.930 1.00 0.00 C ATOM 1261 C GLY A 84 -7.988 2.285 17.691 1.00 0.00 C ATOM 1262 O GLY A 84 -7.108 2.481 18.530 1.00 0.00 O ATOM 0 H GLY A 84 -10.198 0.492 16.337 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.999 1.747 18.188 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.789 0.629 18.785 1.00 0.00 H new ATOM 1266 N TYR A 85 -8.054 2.951 16.544 1.00 0.00 N ATOM 1267 CA TYR A 85 -7.074 3.972 16.195 1.00 0.00 C ATOM 1268 C TYR A 85 -7.733 5.129 15.450 1.00 0.00 C ATOM 1269 O TYR A 85 -8.690 4.935 14.700 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.960 3.368 15.338 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.819 2.793 16.146 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -3.734 3.580 16.511 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -4.825 1.461 16.544 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -2.689 3.059 17.249 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -3.785 0.932 17.283 1.00 0.00 C ATOM 1276 CZ TYR A 85 -2.719 1.734 17.633 1.00 0.00 C ATOM 1277 OH TYR A 85 -1.680 1.210 18.368 1.00 0.00 O ATOM 0 H TYR A 85 -8.776 2.802 15.840 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.644 4.357 17.120 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.381 2.583 14.710 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.570 4.136 14.670 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.707 4.618 16.212 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.657 0.829 16.271 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.853 3.685 17.524 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.806 -0.105 17.585 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.857 0.265 18.557 1.00 0.00 H new ATOM 1287 N LYS A 86 -7.214 6.333 15.662 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.749 7.523 15.011 1.00 0.00 C ATOM 1289 C LYS A 86 -6.746 8.095 14.014 1.00 0.00 C ATOM 1290 O LYS A 86 -5.537 7.921 14.168 1.00 0.00 O ATOM 1291 CB LYS A 86 -8.107 8.583 16.055 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.747 9.827 15.463 1.00 0.00 C ATOM 1293 CD LYS A 86 -10.223 9.612 15.174 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.881 10.884 14.661 1.00 0.00 C ATOM 1295 NZ LYS A 86 -12.069 10.590 13.812 1.00 0.00 N ATOM 0 H LYS A 86 -6.423 6.511 16.280 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.650 7.236 14.469 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.788 8.146 16.785 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.204 8.870 16.594 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.629 10.662 16.154 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.231 10.099 14.542 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.339 8.818 14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.728 9.280 16.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.183 11.503 15.506 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.157 11.461 14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.489 11.482 13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.777 10.021 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.771 10.062 14.368 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.256 8.778 12.994 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.403 9.375 11.973 1.00 0.00 C ATOM 1311 C GLU A 87 -5.305 10.222 12.609 1.00 0.00 C ATOM 1312 O GLU A 87 -4.118 9.983 12.389 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.237 10.234 11.019 1.00 0.00 C ATOM 1314 CG GLU A 87 -6.401 11.088 10.081 1.00 0.00 C ATOM 1315 CD GLU A 87 -5.643 10.263 9.060 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -6.236 9.314 8.505 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -4.457 10.567 8.815 1.00 0.00 O ATOM 0 H GLU A 87 -8.254 8.932 12.853 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.935 8.568 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.882 9.584 10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.889 10.883 11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.050 11.794 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.693 11.676 10.665 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.711 11.213 13.397 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.761 12.096 14.063 1.00 0.00 C ATOM 1326 C GLU A 88 -3.796 11.298 14.936 1.00 0.00 C ATOM 1327 O GLU A 88 -2.593 11.554 14.942 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.502 13.129 14.915 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.431 12.512 15.947 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.293 13.545 16.647 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -7.996 14.303 15.946 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.264 13.597 17.894 1.00 0.00 O ATOM 0 H GLU A 88 -6.690 11.424 13.589 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.186 12.614 13.296 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.772 13.758 15.425 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.081 13.780 14.260 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.073 11.778 15.460 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.839 11.975 16.688 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.335 10.331 15.672 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.523 9.497 16.550 1.00 0.00 C ATOM 1341 C GLU A 89 -2.431 8.779 15.761 1.00 0.00 C ATOM 1342 O GLU A 89 -1.260 8.801 16.139 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.400 8.474 17.275 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.949 8.975 18.600 1.00 0.00 C ATOM 1345 CD GLU A 89 -5.433 10.410 18.527 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -4.582 11.324 18.540 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -6.662 10.619 18.456 1.00 0.00 O ATOM 0 H GLU A 89 -5.330 10.106 15.678 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.049 10.145 17.287 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.232 8.197 16.628 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.819 7.569 17.451 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.773 8.333 18.913 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.175 8.895 19.363 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.825 8.142 14.663 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.882 7.415 13.821 1.00 0.00 C ATOM 1356 C PHE A 90 -0.977 8.380 13.061 1.00 0.00 C ATOM 1357 O PHE A 90 -1.398 9.469 12.674 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.633 6.518 12.835 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.742 5.556 12.102 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.093 5.940 10.939 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.552 4.268 12.576 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.274 5.056 10.263 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.734 3.380 11.904 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.093 3.775 10.746 1.00 0.00 C ATOM 0 H PHE A 90 -3.791 8.115 14.336 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.261 6.793 14.466 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.395 5.956 13.375 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.153 7.144 12.110 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.229 6.941 10.557 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.049 3.954 13.482 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.225 5.367 9.357 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.596 2.378 12.284 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.548 3.084 10.220 1.00 0.00 H new ATOM 1374 N ASN A 91 0.270 7.970 12.851 1.00 0.00 N ATOM 1375 CA ASN A 91 1.236 8.798 12.138 1.00 0.00 C ATOM 1376 C ASN A 91 2.251 7.933 11.396 1.00 0.00 C ATOM 1377 O ASN A 91 3.116 7.309 12.010 1.00 0.00 O ATOM 1378 CB ASN A 91 1.960 9.729 13.113 1.00 0.00 C ATOM 1379 CG ASN A 91 1.191 11.011 13.367 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.327 11.067 14.242 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.502 12.049 12.599 1.00 0.00 N ATOM 0 H ASN A 91 0.635 7.070 13.164 1.00 0.00 H new ATOM 0 HA ASN A 91 0.693 9.398 11.408 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.117 9.210 14.058 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.945 9.972 12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.018 12.938 12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.225 11.957 11.886 1.00 0.00 H new ATOM 1388 N TRP A 92 2.138 7.902 10.073 1.00 0.00 N ATOM 1389 CA TRP A 92 3.046 7.115 9.247 1.00 0.00 C ATOM 1390 C TRP A 92 4.496 7.354 9.651 1.00 0.00 C ATOM 1391 O TRP A 92 5.134 6.486 10.246 1.00 0.00 O ATOM 1392 CB TRP A 92 2.852 7.459 7.769 1.00 0.00 C ATOM 1393 CG TRP A 92 1.822 6.608 7.091 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.612 7.016 6.605 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.910 5.203 6.826 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.056 5.949 6.053 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.719 4.827 6.175 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.880 4.228 7.072 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.474 3.517 5.771 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.635 2.929 6.671 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.441 2.583 6.026 1.00 0.00 C ATOM 0 H TRP A 92 1.427 8.413 9.550 1.00 0.00 H new ATOM 0 HA TRP A 92 2.815 6.061 9.401 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.562 8.506 7.682 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.804 7.348 7.250 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.236 8.027 6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.980 5.987 5.622 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.805 4.485 7.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.446 3.248 5.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.377 2.167 6.858 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.280 1.559 5.724 1.00 0.00 H new ATOM 1412 N GLN A 93 5.010 8.535 9.326 1.00 0.00 N ATOM 1413 CA GLN A 93 6.386 8.887 9.656 1.00 0.00 C ATOM 1414 C GLN A 93 6.755 8.390 11.049 1.00 0.00 C ATOM 1415 O GLN A 93 7.786 7.742 11.237 1.00 0.00 O ATOM 1416 CB GLN A 93 6.581 10.402 9.573 1.00 0.00 C ATOM 1417 CG GLN A 93 5.470 11.196 10.240 1.00 0.00 C ATOM 1418 CD GLN A 93 5.359 12.609 9.703 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.796 13.565 10.344 1.00 0.00 O ATOM 1420 NE2 GLN A 93 4.773 12.749 8.520 1.00 0.00 N ATOM 0 H GLN A 93 4.494 9.265 8.834 1.00 0.00 H new ATOM 0 HA GLN A 93 7.042 8.404 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.532 10.663 10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.647 10.695 8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.521 10.680 10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.650 11.233 11.314 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.425 11.929 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.671 13.677 8.108 1.00 0.00 H new ATOM 1429 N THR A 94 5.908 8.698 12.026 1.00 0.00 N ATOM 1430 CA THR A 94 6.146 8.284 13.403 1.00 0.00 C ATOM 1431 C THR A 94 6.199 6.765 13.519 1.00 0.00 C ATOM 1432 O THR A 94 6.984 6.219 14.296 1.00 0.00 O ATOM 1433 CB THR A 94 5.054 8.822 14.348 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.850 10.220 14.115 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.438 8.595 15.802 1.00 0.00 C ATOM 0 H THR A 94 5.051 9.233 11.889 1.00 0.00 H new ATOM 0 HA THR A 94 7.109 8.702 13.697 1.00 0.00 H new ATOM 0 HB THR A 94 4.129 8.282 14.145 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.153 10.554 14.718 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.652 8.983 16.451 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.564 7.527 15.983 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.373 9.112 16.016 1.00 0.00 H new ATOM 1443 N TYR A 95 5.361 6.087 12.743 1.00 0.00 N ATOM 1444 CA TYR A 95 5.311 4.630 12.761 1.00 0.00 C ATOM 1445 C TYR A 95 6.467 4.036 11.961 1.00 0.00 C ATOM 1446 O TYR A 95 6.846 2.881 12.159 1.00 0.00 O ATOM 1447 CB TYR A 95 3.979 4.137 12.194 1.00 0.00 C ATOM 1448 CG TYR A 95 3.946 2.649 11.932 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.570 1.757 12.795 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.289 2.134 10.821 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.544 0.396 12.558 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.256 0.774 10.577 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.885 -0.090 11.448 1.00 0.00 C ATOM 1454 OH TYR A 95 3.854 -1.445 11.210 1.00 0.00 O ATOM 0 H TYR A 95 4.707 6.523 12.093 1.00 0.00 H new ATOM 0 HA TYR A 95 5.401 4.302 13.796 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.180 4.392 12.891 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.772 4.666 11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.085 2.134 13.667 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.796 2.808 10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.037 -0.283 13.238 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.740 0.390 9.709 1.00 0.00 H new ATOM 0 HH TYR A 95 3.349 -1.621 10.389 1.00 0.00 H new ATOM 1464 N LEU A 96 7.024 4.835 11.057 1.00 0.00 N ATOM 1465 CA LEU A 96 8.138 4.390 10.227 1.00 0.00 C ATOM 1466 C LEU A 96 9.474 4.736 10.876 1.00 0.00 C ATOM 1467 O LEU A 96 10.515 4.194 10.507 1.00 0.00 O ATOM 1468 CB LEU A 96 8.052 5.029 8.839 1.00 0.00 C ATOM 1469 CG LEU A 96 6.710 4.892 8.119 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.482 6.071 7.186 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.650 3.581 7.349 1.00 0.00 C ATOM 0 H LEU A 96 6.723 5.793 10.880 1.00 0.00 H new ATOM 0 HA LEU A 96 8.074 3.306 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.284 6.090 8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.826 4.589 8.210 1.00 0.00 H new ATOM 0 HG LEU A 96 5.917 4.888 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.522 5.956 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.481 6.996 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.279 6.107 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.688 3.500 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.452 3.555 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.767 2.747 8.041 1.00 0.00 H new ATOM 1483 N LYS A 97 9.436 5.642 11.848 1.00 0.00 N ATOM 1484 CA LYS A 97 10.642 6.059 12.554 1.00 0.00 C ATOM 1485 C LYS A 97 10.857 5.218 13.808 1.00 0.00 C ATOM 1486 O LYS A 97 11.991 4.913 14.178 1.00 0.00 O ATOM 1487 CB LYS A 97 10.552 7.540 12.928 1.00 0.00 C ATOM 1488 CG LYS A 97 9.830 7.793 14.240 1.00 0.00 C ATOM 1489 CD LYS A 97 10.780 7.713 15.424 1.00 0.00 C ATOM 1490 CE LYS A 97 10.316 8.597 16.571 1.00 0.00 C ATOM 1491 NZ LYS A 97 9.224 7.958 17.357 1.00 0.00 N ATOM 0 H LYS A 97 8.582 6.102 12.165 1.00 0.00 H new ATOM 0 HA LYS A 97 11.493 5.910 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.559 7.952 12.992 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.038 8.077 12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.361 8.777 14.214 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.031 7.062 14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.852 6.680 15.765 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.779 8.016 15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.159 8.812 17.228 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.969 9.552 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.936 8.592 18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.410 7.776 16.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.563 7.059 17.755 1.00 0.00 H new ATOM 1505 N THR A 98 9.760 4.845 14.460 1.00 0.00 N ATOM 1506 CA THR A 98 9.828 4.039 15.673 1.00 0.00 C ATOM 1507 C THR A 98 10.256 2.610 15.360 1.00 0.00 C ATOM 1508 O THR A 98 10.958 1.976 16.149 1.00 0.00 O ATOM 1509 CB THR A 98 8.472 4.009 16.404 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.636 3.458 17.716 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.456 3.188 15.626 1.00 0.00 C ATOM 0 H THR A 98 8.813 5.088 14.168 1.00 0.00 H new ATOM 0 HA THR A 98 10.571 4.504 16.321 1.00 0.00 H new ATOM 0 HB THR A 98 8.103 5.032 16.483 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.770 3.443 18.175 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.507 3.181 16.162 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.313 3.627 14.639 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.819 2.166 15.519 1.00 0.00 H new ATOM 1519 N CYS A 99 9.830 2.109 14.206 1.00 0.00 N ATOM 1520 CA CYS A 99 10.169 0.753 13.789 1.00 0.00 C ATOM 1521 C CYS A 99 11.399 0.754 12.888 1.00 0.00 C ATOM 1522 O CYS A 99 12.049 -0.276 12.705 1.00 0.00 O ATOM 1523 CB CYS A 99 8.988 0.110 13.061 1.00 0.00 C ATOM 1524 SG CYS A 99 7.798 -0.699 14.156 1.00 0.00 S ATOM 0 H CYS A 99 9.249 2.621 13.542 1.00 0.00 H new ATOM 0 HA CYS A 99 10.395 0.170 14.682 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.471 0.876 12.483 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.369 -0.624 12.350 1.00 0.00 H new ATOM 0 HG CYS A 99 6.835 -1.211 13.448 1.00 0.00 H new ATOM 1530 N LYS A 100 11.713 1.916 12.324 1.00 0.00 N ATOM 1531 CA LYS A 100 12.865 2.052 11.441 1.00 0.00 C ATOM 1532 C LYS A 100 12.661 1.257 10.155 1.00 0.00 C ATOM 1533 O LYS A 100 13.555 0.538 9.710 1.00 0.00 O ATOM 1534 CB LYS A 100 14.136 1.578 12.149 1.00 0.00 C ATOM 1535 CG LYS A 100 14.331 2.193 13.524 1.00 0.00 C ATOM 1536 CD LYS A 100 13.615 1.392 14.599 1.00 0.00 C ATOM 1537 CE LYS A 100 14.275 1.568 15.958 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.103 0.364 16.818 1.00 0.00 N ATOM 0 H LYS A 100 11.185 2.778 12.463 1.00 0.00 H new ATOM 0 HA LYS A 100 12.971 3.106 11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.104 0.493 12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.999 1.817 11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.395 2.243 13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.957 3.217 13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.573 1.707 14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.614 0.336 14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.338 1.769 15.822 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.848 2.437 16.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.567 0.523 17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.089 0.187 16.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.533 -0.460 16.351 1.00 0.00 H new ATOM 1552 N ALA A 101 11.480 1.393 9.561 1.00 0.00 N ATOM 1553 CA ALA A 101 11.160 0.691 8.325 1.00 0.00 C ATOM 1554 C ALA A 101 11.090 1.657 7.147 1.00 0.00 C ATOM 1555 O ALA A 101 11.004 2.870 7.333 1.00 0.00 O ATOM 1556 CB ALA A 101 9.847 -0.063 8.470 1.00 0.00 C ATOM 0 H ALA A 101 10.728 1.984 9.917 1.00 0.00 H new ATOM 0 HA ALA A 101 11.957 -0.025 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.621 -0.583 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.932 -0.789 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.046 0.641 8.696 1.00 0.00 H new ATOM 1562 N GLN A 102 11.128 1.110 5.936 1.00 0.00 N ATOM 1563 CA GLN A 102 11.071 1.925 4.728 1.00 0.00 C ATOM 1564 C GLN A 102 9.795 1.643 3.941 1.00 0.00 C ATOM 1565 O GLN A 102 9.463 0.489 3.673 1.00 0.00 O ATOM 1566 CB GLN A 102 12.295 1.661 3.850 1.00 0.00 C ATOM 1567 CG GLN A 102 13.612 2.028 4.516 1.00 0.00 C ATOM 1568 CD GLN A 102 14.816 1.605 3.698 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.697 0.824 2.754 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.986 2.121 4.057 1.00 0.00 N ATOM 0 H GLN A 102 11.198 0.107 5.765 1.00 0.00 H new ATOM 0 HA GLN A 102 11.068 2.973 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.316 0.606 3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.196 2.226 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.646 3.106 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.662 1.558 5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 102 16.039 2.765 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.832 1.873 3.543 1.00 0.00 H new ATOM 1579 N ALA A 103 9.085 2.704 3.575 1.00 0.00 N ATOM 1580 CA ALA A 103 7.846 2.570 2.817 1.00 0.00 C ATOM 1581 C ALA A 103 8.100 1.916 1.463 1.00 0.00 C ATOM 1582 O ALA A 103 9.104 2.193 0.808 1.00 0.00 O ATOM 1583 CB ALA A 103 7.190 3.930 2.634 1.00 0.00 C ATOM 0 H ALA A 103 9.346 3.666 3.791 1.00 0.00 H new ATOM 0 HA ALA A 103 7.171 1.927 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.266 3.815 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.965 4.360 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.868 4.591 2.094 1.00 0.00 H new ATOM 1589 N ALA A 104 7.183 1.048 1.050 1.00 0.00 N ATOM 1590 CA ALA A 104 7.306 0.356 -0.227 1.00 0.00 C ATOM 1591 C ALA A 104 7.627 1.333 -1.352 1.00 0.00 C ATOM 1592 O ALA A 104 7.186 2.483 -1.353 1.00 0.00 O ATOM 1593 CB ALA A 104 6.029 -0.410 -0.538 1.00 0.00 C ATOM 0 H ALA A 104 6.346 0.807 1.581 1.00 0.00 H new ATOM 0 HA ALA A 104 8.131 -0.352 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.135 -0.922 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.844 -1.143 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.191 0.285 -0.590 1.00 0.00 H new ATOM 1599 N PRO A 105 8.413 0.869 -2.335 1.00 0.00 N ATOM 1600 CA PRO A 105 8.810 1.687 -3.485 1.00 0.00 C ATOM 1601 C PRO A 105 7.642 1.975 -4.422 1.00 0.00 C ATOM 1602 O PRO A 105 6.837 1.091 -4.718 1.00 0.00 O ATOM 1603 CB PRO A 105 9.860 0.824 -4.188 1.00 0.00 C ATOM 1604 CG PRO A 105 9.527 -0.574 -3.795 1.00 0.00 C ATOM 1605 CD PRO A 105 8.974 -0.491 -2.399 1.00 0.00 C ATOM 0 HA PRO A 105 9.178 2.667 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.818 0.952 -5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.868 1.094 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.797 -1.008 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.412 -1.210 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.211 -1.249 -2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.751 -0.641 -1.649 1.00 0.00 H new ATOM 1613 N LYS A 106 7.555 3.216 -4.887 1.00 0.00 N ATOM 1614 CA LYS A 106 6.487 3.622 -5.793 1.00 0.00 C ATOM 1615 C LYS A 106 6.521 2.799 -7.077 1.00 0.00 C ATOM 1616 O LYS A 106 5.494 2.604 -7.728 1.00 0.00 O ATOM 1617 CB LYS A 106 6.609 5.110 -6.125 1.00 0.00 C ATOM 1618 CG LYS A 106 7.859 5.457 -6.914 1.00 0.00 C ATOM 1619 CD LYS A 106 7.851 6.909 -7.362 1.00 0.00 C ATOM 1620 CE LYS A 106 8.955 7.187 -8.371 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.031 8.631 -8.726 1.00 0.00 N ATOM 0 H LYS A 106 8.212 3.959 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 106 5.534 3.445 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.733 5.420 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.605 5.682 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.741 5.269 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.932 4.807 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.884 7.149 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.976 7.559 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.912 6.863 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.779 6.600 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.795 8.779 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.127 8.935 -9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.224 9.189 -7.870 1.00 0.00 H new ATOM 1635 N SER A 107 7.707 2.318 -7.435 1.00 0.00 N ATOM 1636 CA SER A 107 7.875 1.518 -8.642 1.00 0.00 C ATOM 1637 C SER A 107 6.899 0.346 -8.658 1.00 0.00 C ATOM 1638 O SER A 107 6.494 -0.127 -9.721 1.00 0.00 O ATOM 1639 CB SER A 107 9.312 1.002 -8.742 1.00 0.00 C ATOM 1640 OG SER A 107 10.160 1.966 -9.341 1.00 0.00 O ATOM 0 H SER A 107 8.566 2.469 -6.906 1.00 0.00 H new ATOM 0 HA SER A 107 7.665 2.154 -9.502 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.683 0.755 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.332 0.082 -9.327 1.00 0.00 H new ATOM 0 HG SER A 107 11.073 1.613 -9.392 1.00 0.00 H new ATOM 1646 N LEU A 108 6.523 -0.119 -7.471 1.00 0.00 N ATOM 1647 CA LEU A 108 5.594 -1.236 -7.346 1.00 0.00 C ATOM 1648 C LEU A 108 4.200 -0.841 -7.823 1.00 0.00 C ATOM 1649 O LEU A 108 3.416 -1.688 -8.253 1.00 0.00 O ATOM 1650 CB LEU A 108 5.532 -1.713 -5.894 1.00 0.00 C ATOM 1651 CG LEU A 108 6.606 -2.716 -5.471 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.457 -3.068 -3.999 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.535 -3.969 -6.331 1.00 0.00 C ATOM 0 H LEU A 108 6.848 0.261 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 108 5.956 -2.050 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.600 -0.841 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.554 -2.163 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 108 7.583 -2.256 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.230 -3.783 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.560 -2.165 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.475 -3.509 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.307 -4.671 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.555 -4.432 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.693 -3.702 -7.376 1.00 0.00 H new ATOM 1665 N PHE A 109 3.898 0.451 -7.747 1.00 0.00 N ATOM 1666 CA PHE A 109 2.599 0.959 -8.173 1.00 0.00 C ATOM 1667 C PHE A 109 2.745 1.883 -9.378 1.00 0.00 C ATOM 1668 O PHE A 109 2.409 3.065 -9.311 1.00 0.00 O ATOM 1669 CB PHE A 109 1.919 1.705 -7.023 1.00 0.00 C ATOM 1670 CG PHE A 109 2.067 1.022 -5.694 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.246 1.129 -4.973 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.028 0.274 -5.165 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.386 0.501 -3.750 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.162 -0.357 -3.942 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.342 -0.242 -3.233 1.00 0.00 C ATOM 0 H PHE A 109 4.535 1.165 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 109 1.981 0.109 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.337 2.709 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.859 1.816 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.065 1.710 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.103 0.183 -5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.310 0.591 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.345 -0.939 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.448 -0.732 -2.276 1.00 0.00 H new ATOM 1685 N GLU A 110 3.249 1.335 -10.479 1.00 0.00 N ATOM 1686 CA GLU A 110 3.440 2.110 -11.699 1.00 0.00 C ATOM 1687 C GLU A 110 2.530 1.603 -12.815 1.00 0.00 C ATOM 1688 O GLU A 110 2.930 1.543 -13.977 1.00 0.00 O ATOM 1689 CB GLU A 110 4.901 2.044 -12.148 1.00 0.00 C ATOM 1690 CG GLU A 110 5.778 3.118 -11.527 1.00 0.00 C ATOM 1691 CD GLU A 110 7.254 2.894 -11.796 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.690 1.724 -11.768 1.00 0.00 O ATOM 1693 OE2 GLU A 110 7.972 3.887 -12.033 1.00 0.00 O ATOM 0 H GLU A 110 3.532 0.358 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 110 3.180 3.146 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.306 1.064 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.943 2.135 -13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.485 4.092 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.608 3.143 -10.451 1.00 0.00 H new ATOM 1700 N ASN A 111 1.305 1.239 -12.451 1.00 0.00 N ATOM 1701 CA ASN A 111 0.338 0.735 -13.420 1.00 0.00 C ATOM 1702 C ASN A 111 -0.931 1.581 -13.412 1.00 0.00 C ATOM 1703 O ASN A 111 -2.027 1.075 -13.648 1.00 0.00 O ATOM 1704 CB ASN A 111 -0.006 -0.724 -13.117 1.00 0.00 C ATOM 1705 CG ASN A 111 -0.366 -1.505 -14.367 1.00 0.00 C ATOM 1706 OD1 ASN A 111 -1.486 -1.997 -14.504 1.00 0.00 O ATOM 1707 ND2 ASN A 111 0.586 -1.622 -15.285 1.00 0.00 N ATOM 0 H ASN A 111 0.958 1.283 -11.493 1.00 0.00 H new ATOM 0 HA ASN A 111 0.788 0.796 -14.411 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.843 -1.200 -12.626 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.840 -0.760 -12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.403 -2.136 -16.147 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.500 -1.197 -15.129 1.00 0.00 H new