USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 10 LYS NZ :NH3+ -155:sc= -3.36! (180deg=-4.83!) USER MOD Set 1.2: A 14 CYS SG : rot -81:sc= -15.9! USER MOD Set 1.3: A 64 CYS SG : rot -38:sc= -16.8! USER MOD Set 2.1: A 33 ASN : amide:sc= 0.0951 K(o=-0.24,f=-3.5) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.331 K(o=-0.24,f=-2.2) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.317 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -1.13 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= -2.85! (180deg=-3.17!) USER MOD Single : A 38 GLN :FLIP amide:sc= 0.643 F(o=-0.035,f=0.64) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -4.65! C(o=-4.6!,f=-5!) USER MOD Single : A 51 MET CE :methyl 179:sc= -3.84 (180deg=-3.93) USER MOD Single : A 52 ASN : amide:sc= -1.94 K(o=-1.9,f=-6!) USER MOD Single : A 53 ASN : amide:sc= -5.58! C(o=-5.6!,f=-9.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.83 (180deg=-2.95) USER MOD Single : A 62 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 19.404 0.375 5.820 1.00 1.00 N ATOM 146 CA LYS A 10 19.501 -0.277 4.525 1.00 1.00 C ATOM 147 C LYS A 10 19.949 0.745 3.477 1.00 1.00 C ATOM 148 O LYS A 10 19.333 1.818 3.399 1.00 1.00 O ATOM 149 CB LYS A 10 18.185 -0.976 4.178 1.00 1.00 C ATOM 150 CG LYS A 10 18.424 -2.442 3.812 1.00 1.00 C ATOM 151 CD LYS A 10 17.652 -2.825 2.547 1.00 1.00 C ATOM 152 CE LYS A 10 18.226 -2.116 1.319 1.00 1.00 C ATOM 153 NZ LYS A 10 19.222 -2.970 0.650 1.00 1.00 N ATOM 0 HA LYS A 10 20.256 -1.062 4.549 1.00 1.00 H new ATOM 0 HB2 LYS A 10 17.502 -0.916 5.026 1.00 1.00 H new ATOM 0 HB3 LYS A 10 17.705 -0.463 3.345 1.00 1.00 H new ATOM 0 HG2 LYS A 10 19.489 -2.613 3.658 1.00 1.00 H new ATOM 0 HG3 LYS A 10 18.115 -3.082 4.639 1.00 1.00 H new ATOM 0 HD2 LYS A 10 17.697 -3.904 2.402 1.00 1.00 H new ATOM 0 HD3 LYS A 10 16.601 -2.562 2.665 1.00 1.00 H new ATOM 0 HE2 LYS A 10 17.423 -1.871 0.624 1.00 1.00 H new ATOM 0 HE3 LYS A 10 18.687 -1.175 1.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 19.887 -2.375 0.117 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 19.743 -3.519 1.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 18.739 -3.620 -0.003 1.00 1.00 H new ATOM 167 N PRO A 11 20.995 0.398 2.707 1.00 1.00 N ATOM 168 CA PRO A 11 21.544 1.252 1.667 1.00 1.00 C ATOM 169 C PRO A 11 20.452 1.699 0.692 1.00 1.00 C ATOM 170 O PRO A 11 19.905 0.840 -0.014 1.00 1.00 O ATOM 171 CB PRO A 11 22.627 0.417 1.004 1.00 1.00 C ATOM 172 CG PRO A 11 22.333 -1.025 1.382 1.00 1.00 C ATOM 173 CD PRO A 11 21.326 -1.012 2.520 1.00 1.00 C ATOM 0 HA PRO A 11 21.960 2.180 2.060 1.00 1.00 H new ATOM 0 HB2 PRO A 11 22.613 0.548 -0.078 1.00 1.00 H new ATOM 0 HB3 PRO A 11 23.617 0.717 1.348 1.00 1.00 H new ATOM 0 HG2 PRO A 11 21.935 -1.570 0.526 1.00 1.00 H new ATOM 0 HG3 PRO A 11 23.247 -1.534 1.687 1.00 1.00 H new ATOM 0 HD2 PRO A 11 20.440 -1.597 2.272 1.00 1.00 H new ATOM 0 HD3 PRO A 11 21.749 -1.443 3.428 1.00 1.00 H new ATOM 181 N ASP A 12 20.163 3.012 0.673 1.00 1.00 N ATOM 182 CA ASP A 12 19.148 3.564 -0.207 1.00 1.00 C ATOM 183 C ASP A 12 19.569 3.350 -1.662 1.00 1.00 C ATOM 184 O ASP A 12 18.683 3.238 -2.522 1.00 1.00 O ATOM 185 CB ASP A 12 18.981 5.068 0.020 1.00 1.00 C ATOM 186 CG ASP A 12 20.275 5.823 0.331 1.00 1.00 C ATOM 187 OD1 ASP A 12 21.360 5.186 0.045 1.00 1.00 O ATOM 188 OD2 ASP A 12 20.248 6.962 0.822 1.00 1.00 O ATOM 0 H ASP A 12 20.626 3.703 1.263 1.00 1.00 H new ATOM 0 HA ASP A 12 18.206 3.060 0.007 1.00 1.00 H new ATOM 0 HB2 ASP A 12 18.527 5.506 -0.869 1.00 1.00 H new ATOM 0 HB3 ASP A 12 18.282 5.221 0.843 1.00 1.00 H new ATOM 193 N PHE A 13 20.891 3.297 -1.905 1.00 1.00 N ATOM 194 CA PHE A 13 21.420 3.098 -3.243 1.00 1.00 C ATOM 195 C PHE A 13 20.834 1.814 -3.833 1.00 1.00 C ATOM 196 O PHE A 13 20.743 1.719 -5.066 1.00 1.00 O ATOM 197 CB PHE A 13 22.958 3.016 -3.174 1.00 1.00 C ATOM 198 CG PHE A 13 23.500 1.689 -2.659 1.00 1.00 C ATOM 199 CD1 PHE A 13 23.301 0.500 -3.398 1.00 1.00 C ATOM 200 CD2 PHE A 13 24.201 1.639 -1.432 1.00 1.00 C ATOM 201 CE1 PHE A 13 23.801 -0.728 -2.915 1.00 1.00 C ATOM 202 CE2 PHE A 13 24.701 0.410 -0.950 1.00 1.00 C ATOM 203 CZ PHE A 13 24.501 -0.773 -1.692 1.00 1.00 C ATOM 0 H PHE A 13 21.605 3.391 -1.182 1.00 1.00 H new ATOM 0 HA PHE A 13 21.143 3.934 -3.885 1.00 1.00 H new ATOM 0 HB2 PHE A 13 23.363 3.197 -4.169 1.00 1.00 H new ATOM 0 HB3 PHE A 13 23.323 3.817 -2.531 1.00 1.00 H new ATOM 0 HD1 PHE A 13 22.765 0.532 -4.335 1.00 1.00 H new ATOM 0 HD2 PHE A 13 24.354 2.543 -0.862 1.00 1.00 H new ATOM 0 HE1 PHE A 13 23.647 -1.634 -3.483 1.00 1.00 H new ATOM 0 HE2 PHE A 13 25.237 0.375 -0.013 1.00 1.00 H new ATOM 0 HZ PHE A 13 24.884 -1.713 -1.323 1.00 1.00 H new ATOM 213 N CYS A 14 20.454 0.867 -2.957 1.00 1.00 N ATOM 214 CA CYS A 14 19.883 -0.397 -3.388 1.00 1.00 C ATOM 215 C CYS A 14 18.523 -0.141 -4.041 1.00 1.00 C ATOM 216 O CYS A 14 18.211 -0.810 -5.036 1.00 1.00 O ATOM 217 CB CYS A 14 19.780 -1.383 -2.222 1.00 1.00 C ATOM 218 SG CYS A 14 21.326 -2.248 -1.817 1.00 1.00 S ATOM 0 H CYS A 14 20.537 0.965 -1.945 1.00 1.00 H new ATOM 0 HA CYS A 14 20.541 -0.856 -4.126 1.00 1.00 H new ATOM 0 HB2 CYS A 14 19.439 -0.844 -1.338 1.00 1.00 H new ATOM 0 HB3 CYS A 14 19.016 -2.124 -2.458 1.00 1.00 H new ATOM 0 HG CYS A 14 21.492 -3.245 -2.634 1.00 1.00 H new ATOM 224 N PHE A 15 17.753 0.807 -3.476 1.00 1.00 N ATOM 225 CA PHE A 15 16.441 1.146 -4.000 1.00 1.00 C ATOM 226 C PHE A 15 16.598 2.135 -5.156 1.00 1.00 C ATOM 227 O PHE A 15 15.574 2.552 -5.718 1.00 1.00 O ATOM 228 CB PHE A 15 15.586 1.755 -2.872 1.00 1.00 C ATOM 229 CG PHE A 15 15.587 0.958 -1.573 1.00 1.00 C ATOM 230 CD1 PHE A 15 15.378 -0.440 -1.593 1.00 1.00 C ATOM 231 CD2 PHE A 15 15.792 1.617 -0.339 1.00 1.00 C ATOM 232 CE1 PHE A 15 15.375 -1.174 -0.387 1.00 1.00 C ATOM 233 CE2 PHE A 15 15.789 0.882 0.866 1.00 1.00 C ATOM 234 CZ PHE A 15 15.581 -0.513 0.842 1.00 1.00 C ATOM 0 H PHE A 15 18.028 1.346 -2.655 1.00 1.00 H new ATOM 0 HA PHE A 15 15.942 0.251 -4.373 1.00 1.00 H new ATOM 0 HB2 PHE A 15 15.946 2.763 -2.665 1.00 1.00 H new ATOM 0 HB3 PHE A 15 14.559 1.850 -3.224 1.00 1.00 H new ATOM 0 HD1 PHE A 15 15.220 -0.948 -2.533 1.00 1.00 H new ATOM 0 HD2 PHE A 15 15.951 2.685 -0.318 1.00 1.00 H new ATOM 0 HE1 PHE A 15 15.215 -2.242 -0.405 1.00 1.00 H new ATOM 0 HE2 PHE A 15 15.946 1.388 1.807 1.00 1.00 H new ATOM 0 HZ PHE A 15 15.579 -1.075 1.764 1.00 1.00 H new ATOM 244 N LEU A 16 17.855 2.484 -5.484 1.00 1.00 N ATOM 245 CA LEU A 16 18.139 3.415 -6.563 1.00 1.00 C ATOM 246 C LEU A 16 17.913 2.717 -7.905 1.00 1.00 C ATOM 247 O LEU A 16 18.557 1.687 -8.151 1.00 1.00 O ATOM 248 CB LEU A 16 19.542 4.005 -6.406 1.00 1.00 C ATOM 249 CG LEU A 16 19.645 5.528 -6.518 1.00 1.00 C ATOM 250 CD1 LEU A 16 19.844 6.166 -5.142 1.00 1.00 C ATOM 251 CD2 LEU A 16 20.745 5.931 -7.501 1.00 1.00 C ATOM 0 H LEU A 16 18.684 2.128 -5.009 1.00 1.00 H new ATOM 0 HA LEU A 16 17.455 4.263 -6.524 1.00 1.00 H new ATOM 0 HB2 LEU A 16 19.934 3.704 -5.435 1.00 1.00 H new ATOM 0 HB3 LEU A 16 20.189 3.560 -7.162 1.00 1.00 H new ATOM 0 HG LEU A 16 18.703 5.907 -6.915 1.00 1.00 H new ATOM 0 HD11 LEU A 16 19.914 7.248 -5.250 1.00 1.00 H new ATOM 0 HD12 LEU A 16 18.998 5.919 -4.501 1.00 1.00 H new ATOM 0 HD13 LEU A 16 20.762 5.786 -4.694 1.00 1.00 H new ATOM 0 HD21 LEU A 16 20.798 7.018 -7.562 1.00 1.00 H new ATOM 0 HD22 LEU A 16 21.702 5.540 -7.156 1.00 1.00 H new ATOM 0 HD23 LEU A 16 20.520 5.522 -8.486 1.00 1.00 H new ATOM 263 N GLU A 17 17.016 3.281 -8.734 1.00 1.00 N ATOM 264 CA GLU A 17 16.710 2.717 -10.038 1.00 1.00 C ATOM 265 C GLU A 17 18.015 2.391 -10.766 1.00 1.00 C ATOM 266 O GLU A 17 18.874 3.280 -10.865 1.00 1.00 O ATOM 267 CB GLU A 17 15.840 3.661 -10.869 1.00 1.00 C ATOM 268 CG GLU A 17 16.180 5.123 -10.573 1.00 1.00 C ATOM 269 CD GLU A 17 15.156 5.744 -9.621 1.00 1.00 C ATOM 270 OE1 GLU A 17 14.396 4.898 -9.012 1.00 1.00 O ATOM 271 OE2 GLU A 17 15.103 6.975 -9.484 1.00 1.00 O ATOM 0 H GLU A 17 16.495 4.129 -8.512 1.00 1.00 H new ATOM 0 HA GLU A 17 16.137 1.800 -9.897 1.00 1.00 H new ATOM 0 HB2 GLU A 17 15.987 3.457 -11.930 1.00 1.00 H new ATOM 0 HB3 GLU A 17 14.788 3.477 -10.652 1.00 1.00 H new ATOM 0 HG2 GLU A 17 17.175 5.186 -10.133 1.00 1.00 H new ATOM 0 HG3 GLU A 17 16.206 5.689 -11.504 1.00 1.00 H new ATOM 278 N GLU A 18 18.138 1.143 -11.254 1.00 1.00 N ATOM 279 CA GLU A 18 19.327 0.707 -11.966 1.00 1.00 C ATOM 280 C GLU A 18 19.901 1.883 -12.759 1.00 1.00 C ATOM 281 O GLU A 18 19.112 2.646 -13.336 1.00 1.00 O ATOM 282 CB GLU A 18 19.029 -0.480 -12.884 1.00 1.00 C ATOM 283 CG GLU A 18 18.543 -0.005 -14.254 1.00 1.00 C ATOM 284 CD GLU A 18 17.184 0.690 -14.143 1.00 1.00 C ATOM 285 OE1 GLU A 18 16.223 -0.057 -13.717 1.00 1.00 O ATOM 286 OE2 GLU A 18 17.071 1.885 -14.455 1.00 1.00 O ATOM 0 H GLU A 18 17.419 0.425 -11.162 1.00 1.00 H new ATOM 0 HA GLU A 18 20.065 0.368 -11.239 1.00 1.00 H new ATOM 0 HB2 GLU A 18 19.927 -1.087 -13.003 1.00 1.00 H new ATOM 0 HB3 GLU A 18 18.272 -1.117 -12.426 1.00 1.00 H new ATOM 0 HG2 GLU A 18 19.272 0.681 -14.685 1.00 1.00 H new ATOM 0 HG3 GLU A 18 18.466 -0.855 -14.932 1.00 1.00 H new ATOM 293 N ASP A 19 21.240 2.005 -12.772 1.00 1.00 N ATOM 294 CA ASP A 19 21.909 3.078 -13.488 1.00 1.00 C ATOM 295 C ASP A 19 23.233 2.559 -14.054 1.00 1.00 C ATOM 296 O ASP A 19 24.241 2.607 -13.334 1.00 1.00 O ATOM 297 CB ASP A 19 22.221 4.251 -12.556 1.00 1.00 C ATOM 298 CG ASP A 19 22.341 5.611 -13.247 1.00 1.00 C ATOM 299 OD1 ASP A 19 22.954 5.730 -14.319 1.00 1.00 O ATOM 300 OD2 ASP A 19 21.766 6.588 -12.632 1.00 1.00 O ATOM 0 H ASP A 19 21.872 1.366 -12.290 1.00 1.00 H new ATOM 0 HA ASP A 19 21.247 3.417 -14.285 1.00 1.00 H new ATOM 0 HB2 ASP A 19 21.439 4.312 -11.799 1.00 1.00 H new ATOM 0 HB3 ASP A 19 23.154 4.042 -12.033 1.00 1.00 H new ATOM 305 N PRO A 20 23.205 2.082 -15.311 1.00 1.00 N ATOM 306 CA PRO A 20 24.372 1.554 -15.995 1.00 1.00 C ATOM 307 C PRO A 20 25.392 2.661 -16.273 1.00 1.00 C ATOM 308 O PRO A 20 26.471 2.635 -15.662 1.00 1.00 O ATOM 309 CB PRO A 20 23.830 0.914 -17.262 1.00 1.00 C ATOM 310 CG PRO A 20 22.447 1.510 -17.471 1.00 1.00 C ATOM 311 CD PRO A 20 22.040 2.205 -16.183 1.00 1.00 C ATOM 0 HA PRO A 20 24.915 0.822 -15.397 1.00 1.00 H new ATOM 0 HB2 PRO A 20 24.478 1.123 -18.113 1.00 1.00 H new ATOM 0 HB3 PRO A 20 23.777 -0.170 -17.160 1.00 1.00 H new ATOM 0 HG2 PRO A 20 22.458 2.218 -18.300 1.00 1.00 H new ATOM 0 HG3 PRO A 20 21.730 0.730 -17.727 1.00 1.00 H new ATOM 0 HD2 PRO A 20 21.787 3.250 -16.360 1.00 1.00 H new ATOM 0 HD3 PRO A 20 21.162 1.735 -15.740 1.00 1.00 H new ATOM 319 N GLY A 21 25.037 3.594 -17.173 1.00 1.00 N ATOM 320 CA GLY A 21 25.915 4.697 -17.526 1.00 1.00 C ATOM 321 C GLY A 21 25.315 5.463 -18.707 1.00 1.00 C ATOM 322 O GLY A 21 24.098 5.361 -18.919 1.00 1.00 O ATOM 0 H GLY A 21 24.143 3.596 -17.665 1.00 1.00 H new ATOM 0 HA2 GLY A 21 26.042 5.363 -16.673 1.00 1.00 H new ATOM 0 HA3 GLY A 21 26.904 4.320 -17.787 1.00 1.00 H new ATOM 326 N ILE A 22 26.166 6.203 -19.440 1.00 1.00 N ATOM 327 CA ILE A 22 25.723 6.977 -20.587 1.00 1.00 C ATOM 328 C ILE A 22 26.270 6.342 -21.867 1.00 1.00 C ATOM 329 O ILE A 22 25.635 6.499 -22.921 1.00 1.00 O ATOM 330 CB ILE A 22 26.104 8.449 -20.419 1.00 1.00 C ATOM 331 CG1 ILE A 22 26.312 8.797 -18.944 1.00 1.00 C ATOM 332 CG2 ILE A 22 25.070 9.362 -21.083 1.00 1.00 C ATOM 333 CD1 ILE A 22 26.818 10.232 -18.785 1.00 1.00 C ATOM 0 H ILE A 22 27.165 6.274 -19.248 1.00 1.00 H new ATOM 0 HA ILE A 22 24.636 6.960 -20.662 1.00 1.00 H new ATOM 0 HB ILE A 22 27.054 8.616 -20.926 1.00 1.00 H new ATOM 0 HG12 ILE A 22 25.374 8.676 -18.402 1.00 1.00 H new ATOM 0 HG13 ILE A 22 27.027 8.104 -18.501 1.00 1.00 H new ATOM 0 HG21 ILE A 22 25.364 10.403 -20.949 1.00 1.00 H new ATOM 0 HG22 ILE A 22 25.014 9.135 -22.148 1.00 1.00 H new ATOM 0 HG23 ILE A 22 24.094 9.199 -20.626 1.00 1.00 H new ATOM 0 HD11 ILE A 22 26.957 10.453 -17.727 1.00 1.00 H new ATOM 0 HD12 ILE A 22 27.768 10.343 -19.307 1.00 1.00 H new ATOM 0 HD13 ILE A 22 26.089 10.924 -19.207 1.00 1.00 H new ATOM 345 N CYS A 23 27.417 5.649 -21.753 1.00 1.00 N ATOM 346 CA CYS A 23 28.040 4.999 -22.894 1.00 1.00 C ATOM 347 C CYS A 23 27.421 3.613 -23.085 1.00 1.00 C ATOM 348 O CYS A 23 26.250 3.540 -23.484 1.00 1.00 O ATOM 349 CB CYS A 23 29.559 4.928 -22.726 1.00 1.00 C ATOM 350 SG CYS A 23 30.121 4.411 -21.078 1.00 1.00 S ATOM 0 H CYS A 23 27.924 5.531 -20.876 1.00 1.00 H new ATOM 0 HA CYS A 23 27.854 5.588 -23.792 1.00 1.00 H new ATOM 0 HB2 CYS A 23 29.960 4.234 -23.465 1.00 1.00 H new ATOM 0 HB3 CYS A 23 29.981 5.908 -22.947 1.00 1.00 H new ATOM 0 HG CYS A 23 31.420 4.384 -21.051 1.00 1.00 H new ATOM 356 N ARG A 24 28.207 2.558 -22.802 1.00 1.00 N ATOM 357 CA ARG A 24 27.739 1.190 -22.942 1.00 1.00 C ATOM 358 C ARG A 24 28.740 0.243 -22.278 1.00 1.00 C ATOM 359 O ARG A 24 29.726 0.732 -21.707 1.00 1.00 O ATOM 360 CB ARG A 24 27.575 0.798 -24.412 1.00 1.00 C ATOM 361 CG ARG A 24 28.729 1.342 -25.256 1.00 1.00 C ATOM 362 CD ARG A 24 28.243 2.436 -26.209 1.00 1.00 C ATOM 363 NE ARG A 24 28.939 2.321 -27.510 1.00 1.00 N ATOM 364 CZ ARG A 24 28.760 1.302 -28.377 1.00 1.00 C ATOM 365 NH1 ARG A 24 27.903 0.323 -28.060 1.00 1.00 N ATOM 366 NH2 ARG A 24 29.430 1.271 -29.537 1.00 1.00 N ATOM 0 H ARG A 24 29.170 2.640 -22.475 1.00 1.00 H new ATOM 0 HA ARG A 24 26.764 1.115 -22.460 1.00 1.00 H new ATOM 0 HB2 ARG A 24 27.535 -0.288 -24.500 1.00 1.00 H new ATOM 0 HB3 ARG A 24 26.629 1.184 -24.792 1.00 1.00 H new ATOM 0 HG2 ARG A 24 29.505 1.742 -24.603 1.00 1.00 H new ATOM 0 HG3 ARG A 24 29.180 0.531 -25.828 1.00 1.00 H new ATOM 0 HD2 ARG A 24 27.166 2.351 -26.355 1.00 1.00 H new ATOM 0 HD3 ARG A 24 28.429 3.418 -25.774 1.00 1.00 H new ATOM 0 HE ARG A 24 29.595 3.058 -27.768 1.00 1.00 H new ATOM 0 HH11 ARG A 24 27.397 0.355 -27.175 1.00 1.00 H new ATOM 0 HH12 ARG A 24 27.756 -0.454 -28.704 1.00 1.00 H new ATOM 0 HH21 ARG A 24 30.081 2.021 -29.770 1.00 1.00 H new ATOM 0 HH22 ARG A 24 29.289 0.497 -30.187 1.00 1.00 H new ATOM 380 N GLY A 25 28.473 -1.073 -22.364 1.00 1.00 N ATOM 381 CA GLY A 25 29.345 -2.076 -21.775 1.00 1.00 C ATOM 382 C GLY A 25 28.523 -2.987 -20.862 1.00 1.00 C ATOM 383 O GLY A 25 28.662 -2.874 -19.635 1.00 1.00 O ATOM 0 H GLY A 25 27.656 -1.456 -22.839 1.00 1.00 H new ATOM 0 HA2 GLY A 25 29.824 -2.663 -22.558 1.00 1.00 H new ATOM 0 HA3 GLY A 25 30.141 -1.594 -21.207 1.00 1.00 H new ATOM 387 N TYR A 26 27.696 -3.858 -21.467 1.00 1.00 N ATOM 388 CA TYR A 26 26.884 -4.749 -20.656 1.00 1.00 C ATOM 389 C TYR A 26 27.758 -5.886 -20.124 1.00 1.00 C ATOM 390 O TYR A 26 28.567 -6.412 -20.902 1.00 1.00 O ATOM 391 CB TYR A 26 25.699 -5.277 -21.486 1.00 1.00 C ATOM 392 CG TYR A 26 24.793 -4.193 -22.053 1.00 1.00 C ATOM 393 CD1 TYR A 26 24.856 -2.878 -21.538 1.00 1.00 C ATOM 394 CD2 TYR A 26 23.889 -4.491 -23.098 1.00 1.00 C ATOM 395 CE1 TYR A 26 24.021 -1.869 -22.062 1.00 1.00 C ATOM 396 CE2 TYR A 26 23.053 -3.482 -23.622 1.00 1.00 C ATOM 397 CZ TYR A 26 23.117 -2.170 -23.104 1.00 1.00 C ATOM 398 OH TYR A 26 22.309 -1.191 -23.608 1.00 1.00 O ATOM 0 H TYR A 26 27.581 -3.955 -22.476 1.00 1.00 H new ATOM 0 HA TYR A 26 26.473 -4.210 -19.802 1.00 1.00 H new ATOM 0 HB2 TYR A 26 26.087 -5.876 -22.310 1.00 1.00 H new ATOM 0 HB3 TYR A 26 25.102 -5.942 -20.862 1.00 1.00 H new ATOM 0 HD1 TYR A 26 25.546 -2.645 -20.740 1.00 1.00 H new ATOM 0 HD2 TYR A 26 23.838 -5.494 -23.496 1.00 1.00 H new ATOM 0 HE1 TYR A 26 24.073 -0.866 -21.666 1.00 1.00 H new ATOM 0 HE2 TYR A 26 22.363 -3.714 -24.420 1.00 1.00 H new ATOM 0 HH TYR A 26 21.748 -1.564 -24.320 1.00 1.00 H new ATOM 408 N ILE A 27 27.593 -6.231 -18.834 1.00 1.00 N ATOM 409 CA ILE A 27 28.373 -7.287 -18.213 1.00 1.00 C ATOM 410 C ILE A 27 27.443 -8.195 -17.406 1.00 1.00 C ATOM 411 O ILE A 27 27.934 -8.892 -16.506 1.00 1.00 O ATOM 412 CB ILE A 27 29.519 -6.695 -17.391 1.00 1.00 C ATOM 413 CG1 ILE A 27 30.183 -5.533 -18.133 1.00 1.00 C ATOM 414 CG2 ILE A 27 30.529 -7.775 -16.998 1.00 1.00 C ATOM 415 CD1 ILE A 27 30.990 -4.658 -17.172 1.00 1.00 C ATOM 0 H ILE A 27 26.921 -5.785 -18.210 1.00 1.00 H new ATOM 0 HA ILE A 27 28.845 -7.909 -18.974 1.00 1.00 H new ATOM 0 HB ILE A 27 29.103 -6.293 -16.467 1.00 1.00 H new ATOM 0 HG12 ILE A 27 30.838 -5.922 -18.913 1.00 1.00 H new ATOM 0 HG13 ILE A 27 29.421 -4.930 -18.627 1.00 1.00 H new ATOM 0 HG21 ILE A 27 31.333 -7.326 -16.414 1.00 1.00 H new ATOM 0 HG22 ILE A 27 30.031 -8.539 -16.402 1.00 1.00 H new ATOM 0 HG23 ILE A 27 30.944 -8.230 -17.898 1.00 1.00 H new ATOM 0 HD11 ILE A 27 31.451 -3.840 -17.725 1.00 1.00 H new ATOM 0 HD12 ILE A 27 30.328 -4.251 -16.407 1.00 1.00 H new ATOM 0 HD13 ILE A 27 31.766 -5.259 -16.698 1.00 1.00 H new ATOM 427 N THR A 28 26.140 -8.170 -17.737 1.00 1.00 N ATOM 428 CA THR A 28 25.154 -8.985 -17.048 1.00 1.00 C ATOM 429 C THR A 28 25.293 -8.778 -15.538 1.00 1.00 C ATOM 430 O THR A 28 25.503 -9.769 -14.824 1.00 1.00 O ATOM 431 CB THR A 28 25.335 -10.441 -17.481 1.00 1.00 C ATOM 432 OG1 THR A 28 24.818 -10.475 -18.809 1.00 1.00 O ATOM 433 CG2 THR A 28 24.430 -11.400 -16.705 1.00 1.00 C ATOM 0 H THR A 28 25.756 -7.588 -18.482 1.00 1.00 H new ATOM 0 HA THR A 28 24.137 -8.692 -17.311 1.00 1.00 H new ATOM 0 HB THR A 28 26.376 -10.733 -17.344 1.00 1.00 H new ATOM 0 HG1 THR A 28 24.898 -11.383 -19.168 1.00 1.00 H new ATOM 0 HG21 THR A 28 24.598 -12.420 -17.051 1.00 1.00 H new ATOM 0 HG22 THR A 28 24.659 -11.336 -15.641 1.00 1.00 H new ATOM 0 HG23 THR A 28 23.387 -11.129 -16.869 1.00 1.00 H new ATOM 441 N ARG A 29 25.175 -7.515 -15.090 1.00 1.00 N ATOM 442 CA ARG A 29 25.287 -7.186 -13.680 1.00 1.00 C ATOM 443 C ARG A 29 23.917 -7.333 -13.016 1.00 1.00 C ATOM 444 O ARG A 29 22.947 -7.637 -13.726 1.00 1.00 O ATOM 445 CB ARG A 29 25.795 -5.757 -13.473 1.00 1.00 C ATOM 446 CG ARG A 29 27.237 -5.612 -13.962 1.00 1.00 C ATOM 447 CD ARG A 29 28.170 -6.565 -13.212 1.00 1.00 C ATOM 448 NE ARG A 29 29.555 -6.417 -13.712 1.00 1.00 N ATOM 449 CZ ARG A 29 30.406 -5.450 -13.307 1.00 1.00 C ATOM 450 NH1 ARG A 29 29.991 -4.558 -12.397 1.00 1.00 N ATOM 451 NH2 ARG A 29 31.647 -5.383 -13.809 1.00 1.00 N ATOM 0 H ARG A 29 25.002 -6.712 -15.695 1.00 1.00 H new ATOM 0 HA ARG A 29 26.006 -7.871 -13.230 1.00 1.00 H new ATOM 0 HB2 ARG A 29 25.153 -5.058 -14.009 1.00 1.00 H new ATOM 0 HB3 ARG A 29 25.738 -5.496 -12.416 1.00 1.00 H new ATOM 0 HG2 ARG A 29 27.284 -5.818 -15.031 1.00 1.00 H new ATOM 0 HG3 ARG A 29 27.571 -4.584 -13.820 1.00 1.00 H new ATOM 0 HD2 ARG A 29 28.136 -6.354 -12.143 1.00 1.00 H new ATOM 0 HD3 ARG A 29 27.835 -7.594 -13.344 1.00 1.00 H new ATOM 0 HE ARG A 29 29.887 -7.087 -14.406 1.00 1.00 H new ATOM 0 HH11 ARG A 29 29.045 -4.616 -12.021 1.00 1.00 H new ATOM 0 HH12 ARG A 29 30.622 -3.821 -12.080 1.00 1.00 H new ATOM 0 HH21 ARG A 29 31.954 -6.065 -14.502 1.00 1.00 H new ATOM 0 HH22 ARG A 29 32.284 -4.650 -13.498 1.00 1.00 H new ATOM 465 N TYR A 30 23.864 -7.118 -11.689 1.00 1.00 N ATOM 466 CA TYR A 30 22.593 -7.247 -10.998 1.00 1.00 C ATOM 467 C TYR A 30 22.314 -5.967 -10.208 1.00 1.00 C ATOM 468 O TYR A 30 23.270 -5.221 -9.951 1.00 1.00 O ATOM 469 CB TYR A 30 22.617 -8.488 -10.087 1.00 1.00 C ATOM 470 CG TYR A 30 22.820 -9.807 -10.821 1.00 1.00 C ATOM 471 CD1 TYR A 30 24.049 -10.087 -11.462 1.00 1.00 C ATOM 472 CD2 TYR A 30 21.774 -10.756 -10.870 1.00 1.00 C ATOM 473 CE1 TYR A 30 24.230 -11.309 -12.144 1.00 1.00 C ATOM 474 CE2 TYR A 30 21.955 -11.978 -11.552 1.00 1.00 C ATOM 475 CZ TYR A 30 23.184 -12.256 -12.189 1.00 1.00 C ATOM 476 OH TYR A 30 23.356 -13.441 -12.847 1.00 1.00 O ATOM 0 H TYR A 30 24.659 -6.864 -11.103 1.00 1.00 H new ATOM 0 HA TYR A 30 21.786 -7.383 -11.718 1.00 1.00 H new ATOM 0 HB2 TYR A 30 23.414 -8.369 -9.353 1.00 1.00 H new ATOM 0 HB3 TYR A 30 21.679 -8.535 -9.534 1.00 1.00 H new ATOM 0 HD1 TYR A 30 24.851 -9.364 -11.430 1.00 1.00 H new ATOM 0 HD2 TYR A 30 20.833 -10.545 -10.384 1.00 1.00 H new ATOM 0 HE1 TYR A 30 25.170 -11.520 -12.632 1.00 1.00 H new ATOM 0 HE2 TYR A 30 21.153 -12.701 -11.587 1.00 1.00 H new ATOM 0 HH TYR A 30 22.648 -14.066 -12.585 1.00 1.00 H new ATOM 486 N PHE A 31 21.038 -5.734 -9.854 1.00 1.00 N ATOM 487 CA PHE A 31 20.648 -4.546 -9.113 1.00 1.00 C ATOM 488 C PHE A 31 19.349 -4.826 -8.355 1.00 1.00 C ATOM 489 O PHE A 31 18.549 -5.641 -8.838 1.00 1.00 O ATOM 490 CB PHE A 31 20.467 -3.372 -10.094 1.00 1.00 C ATOM 491 CG PHE A 31 19.158 -3.391 -10.872 1.00 1.00 C ATOM 492 CD1 PHE A 31 18.988 -4.287 -11.952 1.00 1.00 C ATOM 493 CD2 PHE A 31 18.102 -2.519 -10.516 1.00 1.00 C ATOM 494 CE1 PHE A 31 17.775 -4.310 -12.672 1.00 1.00 C ATOM 495 CE2 PHE A 31 16.889 -2.542 -11.236 1.00 1.00 C ATOM 496 CZ PHE A 31 16.725 -3.438 -12.314 1.00 1.00 C ATOM 0 H PHE A 31 20.265 -6.362 -10.075 1.00 1.00 H new ATOM 0 HA PHE A 31 21.421 -4.282 -8.392 1.00 1.00 H new ATOM 0 HB2 PHE A 31 20.530 -2.437 -9.537 1.00 1.00 H new ATOM 0 HB3 PHE A 31 21.295 -3.377 -10.802 1.00 1.00 H new ATOM 0 HD1 PHE A 31 19.790 -4.956 -12.227 1.00 1.00 H new ATOM 0 HD2 PHE A 31 18.225 -1.834 -9.690 1.00 1.00 H new ATOM 0 HE1 PHE A 31 17.650 -4.995 -13.497 1.00 1.00 H new ATOM 0 HE2 PHE A 31 16.086 -1.874 -10.962 1.00 1.00 H new ATOM 0 HZ PHE A 31 15.796 -3.456 -12.865 1.00 1.00 H new ATOM 506 N TYR A 32 19.168 -4.157 -7.202 1.00 1.00 N ATOM 507 CA TYR A 32 17.956 -4.382 -6.433 1.00 1.00 C ATOM 508 C TYR A 32 16.832 -3.507 -6.992 1.00 1.00 C ATOM 509 O TYR A 32 16.847 -2.297 -6.723 1.00 1.00 O ATOM 510 CB TYR A 32 18.222 -4.091 -4.944 1.00 1.00 C ATOM 511 CG TYR A 32 17.123 -4.563 -4.002 1.00 1.00 C ATOM 512 CD1 TYR A 32 16.023 -3.721 -3.721 1.00 1.00 C ATOM 513 CD2 TYR A 32 17.191 -5.845 -3.409 1.00 1.00 C ATOM 514 CE1 TYR A 32 15.001 -4.155 -2.851 1.00 1.00 C ATOM 515 CE2 TYR A 32 16.168 -6.280 -2.540 1.00 1.00 C ATOM 516 CZ TYR A 32 15.072 -5.435 -2.259 1.00 1.00 C ATOM 517 OH TYR A 32 14.080 -5.851 -1.417 1.00 1.00 O ATOM 0 H TYR A 32 19.823 -3.484 -6.804 1.00 1.00 H new ATOM 0 HA TYR A 32 17.646 -5.424 -6.515 1.00 1.00 H new ATOM 0 HB2 TYR A 32 19.159 -4.567 -4.656 1.00 1.00 H new ATOM 0 HB3 TYR A 32 18.357 -3.017 -4.815 1.00 1.00 H new ATOM 0 HD1 TYR A 32 15.965 -2.742 -4.174 1.00 1.00 H new ATOM 0 HD2 TYR A 32 18.028 -6.493 -3.622 1.00 1.00 H new ATOM 0 HE1 TYR A 32 14.163 -3.508 -2.637 1.00 1.00 H new ATOM 0 HE2 TYR A 32 16.223 -7.260 -2.089 1.00 1.00 H new ATOM 0 HH TYR A 32 14.281 -6.755 -1.097 1.00 1.00 H new ATOM 527 N ASN A 33 15.905 -4.117 -7.751 1.00 1.00 N ATOM 528 CA ASN A 33 14.797 -3.390 -8.346 1.00 1.00 C ATOM 529 C ASN A 33 13.580 -3.479 -7.424 1.00 1.00 C ATOM 530 O ASN A 33 13.147 -4.601 -7.125 1.00 1.00 O ATOM 531 CB ASN A 33 14.408 -3.989 -9.700 1.00 1.00 C ATOM 532 CG ASN A 33 13.532 -3.020 -10.497 1.00 1.00 C ATOM 533 OD1 ASN A 33 13.200 -1.934 -10.052 1.00 1.00 O ATOM 534 ND2 ASN A 33 13.177 -3.473 -11.696 1.00 1.00 N ATOM 0 H ASN A 33 15.911 -5.115 -7.961 1.00 1.00 H new ATOM 0 HA ASN A 33 15.110 -2.355 -8.485 1.00 1.00 H new ATOM 0 HB2 ASN A 33 15.307 -4.224 -10.269 1.00 1.00 H new ATOM 0 HB3 ASN A 33 13.873 -4.926 -9.547 1.00 1.00 H new ATOM 0 HD21 ASN A 33 12.592 -2.901 -12.305 1.00 1.00 H new ATOM 0 HD22 ASN A 33 13.490 -4.393 -12.007 1.00 1.00 H new ATOM 541 N ASN A 34 13.061 -2.313 -6.998 1.00 1.00 N ATOM 542 CA ASN A 34 11.905 -2.260 -6.118 1.00 1.00 C ATOM 543 C ASN A 34 10.667 -2.737 -6.880 1.00 1.00 C ATOM 544 O ASN A 34 9.749 -3.269 -6.239 1.00 1.00 O ATOM 545 CB ASN A 34 11.643 -0.831 -5.639 1.00 1.00 C ATOM 546 CG ASN A 34 11.054 0.025 -6.761 1.00 1.00 C ATOM 547 OD1 ASN A 34 11.578 0.100 -7.860 1.00 1.00 O ATOM 548 ND2 ASN A 34 9.938 0.665 -6.425 1.00 1.00 N ATOM 0 H ASN A 34 13.433 -1.399 -7.256 1.00 1.00 H new ATOM 0 HA ASN A 34 12.107 -2.898 -5.258 1.00 1.00 H new ATOM 0 HB2 ASN A 34 10.957 -0.848 -4.792 1.00 1.00 H new ATOM 0 HB3 ASN A 34 12.574 -0.385 -5.287 1.00 1.00 H new ATOM 0 HD21 ASN A 34 9.468 1.262 -7.105 1.00 1.00 H new ATOM 0 HD22 ASN A 34 9.552 0.559 -5.487 1.00 1.00 H new ATOM 555 N GLN A 35 10.667 -2.542 -8.211 1.00 1.00 N ATOM 556 CA GLN A 35 9.552 -2.950 -9.049 1.00 1.00 C ATOM 557 C GLN A 35 9.099 -4.352 -8.640 1.00 1.00 C ATOM 558 O GLN A 35 7.883 -4.576 -8.548 1.00 1.00 O ATOM 559 CB GLN A 35 9.918 -2.902 -10.533 1.00 1.00 C ATOM 560 CG GLN A 35 8.715 -2.485 -11.382 1.00 1.00 C ATOM 561 CD GLN A 35 9.074 -2.464 -12.869 1.00 1.00 C ATOM 562 OE1 GLN A 35 9.205 -1.421 -13.488 1.00 1.00 O ATOM 563 NE2 GLN A 35 9.225 -3.672 -13.406 1.00 1.00 N ATOM 0 H GLN A 35 11.434 -2.102 -8.720 1.00 1.00 H new ATOM 0 HA GLN A 35 8.730 -2.250 -8.903 1.00 1.00 H new ATOM 0 HB2 GLN A 35 10.737 -2.199 -10.687 1.00 1.00 H new ATOM 0 HB3 GLN A 35 10.273 -3.881 -10.855 1.00 1.00 H new ATOM 0 HG2 GLN A 35 7.889 -3.176 -11.213 1.00 1.00 H new ATOM 0 HG3 GLN A 35 8.372 -1.498 -11.073 1.00 1.00 H new ATOM 0 HE21 GLN A 35 9.101 -4.505 -12.831 1.00 1.00 H new ATOM 0 HE22 GLN A 35 9.465 -3.765 -14.393 1.00 1.00 H new ATOM 572 N THR A 36 10.068 -5.255 -8.407 1.00 1.00 N ATOM 573 CA THR A 36 9.770 -6.621 -8.012 1.00 1.00 C ATOM 574 C THR A 36 10.210 -6.836 -6.562 1.00 1.00 C ATOM 575 O THR A 36 9.887 -7.891 -5.998 1.00 1.00 O ATOM 576 CB THR A 36 10.447 -7.574 -9.000 1.00 1.00 C ATOM 577 OG1 THR A 36 11.839 -7.334 -8.815 1.00 1.00 O ATOM 578 CG2 THR A 36 10.192 -7.184 -10.457 1.00 1.00 C ATOM 0 H THR A 36 11.064 -5.051 -8.489 1.00 1.00 H new ATOM 0 HA THR A 36 8.700 -6.824 -8.046 1.00 1.00 H new ATOM 0 HB THR A 36 10.090 -8.589 -8.828 1.00 1.00 H new ATOM 0 HG1 THR A 36 12.353 -7.912 -9.416 1.00 1.00 H new ATOM 0 HG21 THR A 36 10.694 -7.892 -11.116 1.00 1.00 H new ATOM 0 HG22 THR A 36 9.120 -7.200 -10.656 1.00 1.00 H new ATOM 0 HG23 THR A 36 10.580 -6.182 -10.638 1.00 1.00 H new ATOM 586 N LYS A 37 10.927 -5.848 -5.998 1.00 1.00 N ATOM 587 CA LYS A 37 11.405 -5.929 -4.628 1.00 1.00 C ATOM 588 C LYS A 37 12.438 -7.052 -4.519 1.00 1.00 C ATOM 589 O LYS A 37 12.358 -7.836 -3.561 1.00 1.00 O ATOM 590 CB LYS A 37 10.230 -6.077 -3.659 1.00 1.00 C ATOM 591 CG LYS A 37 9.548 -4.730 -3.415 1.00 1.00 C ATOM 592 CD LYS A 37 8.026 -4.860 -3.516 1.00 1.00 C ATOM 593 CE LYS A 37 7.444 -5.480 -2.244 1.00 1.00 C ATOM 594 NZ LYS A 37 8.400 -6.429 -1.649 1.00 1.00 N ATOM 0 H LYS A 37 11.183 -4.987 -6.481 1.00 1.00 H new ATOM 0 HA LYS A 37 11.908 -5.005 -4.344 1.00 1.00 H new ATOM 0 HB2 LYS A 37 9.508 -6.786 -4.063 1.00 1.00 H new ATOM 0 HB3 LYS A 37 10.584 -6.486 -2.713 1.00 1.00 H new ATOM 0 HG2 LYS A 37 9.820 -4.354 -2.429 1.00 1.00 H new ATOM 0 HG3 LYS A 37 9.904 -4.001 -4.143 1.00 1.00 H new ATOM 0 HD2 LYS A 37 7.584 -3.878 -3.682 1.00 1.00 H new ATOM 0 HD3 LYS A 37 7.766 -5.476 -4.377 1.00 1.00 H new ATOM 0 HE2 LYS A 37 7.207 -4.695 -1.526 1.00 1.00 H new ATOM 0 HE3 LYS A 37 6.511 -5.993 -2.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 7.964 -6.891 -0.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 8.658 -7.149 -2.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 9.254 -5.918 -1.347 1.00 1.00 H new ATOM 608 N GLN A 38 13.372 -7.109 -5.485 1.00 1.00 N ATOM 609 CA GLN A 38 14.408 -8.127 -5.497 1.00 1.00 C ATOM 610 C GLN A 38 15.536 -7.690 -6.433 1.00 1.00 C ATOM 611 O GLN A 38 15.441 -6.590 -6.998 1.00 1.00 O ATOM 612 CB GLN A 38 13.851 -9.491 -5.908 1.00 1.00 C ATOM 613 CG GLN A 38 14.364 -10.595 -4.982 1.00 1.00 C ATOM 614 CD GLN A 38 13.203 -11.325 -4.303 1.00 1.00 C ATOM 615 OE1 GLN A 38 13.331 -12.649 -4.289 1.00 1.00 O flip ATOM 616 NE2 GLN A 38 12.254 -10.726 -3.824 1.00 1.00 N flip ATOM 0 H GLN A 38 13.420 -6.454 -6.265 1.00 1.00 H new ATOM 0 HA GLN A 38 14.802 -8.237 -4.487 1.00 1.00 H new ATOM 0 HB2 GLN A 38 12.762 -9.466 -5.881 1.00 1.00 H new ATOM 0 HB3 GLN A 38 14.139 -9.711 -6.936 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.961 -11.306 -5.554 1.00 1.00 H new ATOM 0 HG3 GLN A 38 15.020 -10.164 -4.225 1.00 1.00 H new ATOM 0 HE21 GLN A 38 12.218 -9.708 -3.869 1.00 1.00 H new ATOM 0 HE22 GLN A 38 11.496 -11.244 -3.379 1.00 1.00 H new ATOM 625 N CYS A 39 16.564 -8.545 -6.578 1.00 1.00 N ATOM 626 CA CYS A 39 17.697 -8.249 -7.438 1.00 1.00 C ATOM 627 C CYS A 39 17.395 -8.735 -8.857 1.00 1.00 C ATOM 628 O CYS A 39 17.181 -9.943 -9.033 1.00 1.00 O ATOM 629 CB CYS A 39 18.985 -8.864 -6.886 1.00 1.00 C ATOM 630 SG CYS A 39 19.626 -8.068 -5.383 1.00 1.00 S ATOM 0 H CYS A 39 16.623 -9.446 -6.104 1.00 1.00 H new ATOM 0 HA CYS A 39 17.855 -7.171 -7.467 1.00 1.00 H new ATOM 0 HB2 CYS A 39 18.806 -9.918 -6.674 1.00 1.00 H new ATOM 0 HB3 CYS A 39 19.752 -8.820 -7.659 1.00 1.00 H new ATOM 636 N GLU A 40 17.384 -7.800 -9.824 1.00 1.00 N ATOM 637 CA GLU A 40 17.111 -8.132 -11.212 1.00 1.00 C ATOM 638 C GLU A 40 18.413 -8.072 -12.012 1.00 1.00 C ATOM 639 O GLU A 40 19.294 -7.278 -11.647 1.00 1.00 O ATOM 640 CB GLU A 40 16.054 -7.203 -11.814 1.00 1.00 C ATOM 641 CG GLU A 40 14.690 -7.892 -11.876 1.00 1.00 C ATOM 642 CD GLU A 40 14.220 -8.049 -13.324 1.00 1.00 C ATOM 643 OE1 GLU A 40 14.825 -8.811 -14.093 1.00 1.00 O ATOM 644 OE2 GLU A 40 13.186 -7.345 -13.641 1.00 1.00 O ATOM 0 H GLU A 40 17.563 -6.810 -9.657 1.00 1.00 H new ATOM 0 HA GLU A 40 16.708 -9.144 -11.257 1.00 1.00 H new ATOM 0 HB2 GLU A 40 15.980 -6.295 -11.216 1.00 1.00 H new ATOM 0 HB3 GLU A 40 16.359 -6.901 -12.816 1.00 1.00 H new ATOM 0 HG2 GLU A 40 14.751 -8.871 -11.402 1.00 1.00 H new ATOM 0 HG3 GLU A 40 13.959 -7.311 -11.314 1.00 1.00 H new ATOM 651 N ARG A 41 18.510 -8.898 -13.069 1.00 1.00 N ATOM 652 CA ARG A 41 19.694 -8.937 -13.910 1.00 1.00 C ATOM 653 C ARG A 41 19.612 -7.820 -14.953 1.00 1.00 C ATOM 654 O ARG A 41 18.623 -7.782 -15.700 1.00 1.00 O ATOM 655 CB ARG A 41 19.833 -10.283 -14.625 1.00 1.00 C ATOM 656 CG ARG A 41 21.125 -10.992 -14.212 1.00 1.00 C ATOM 657 CD ARG A 41 20.984 -12.510 -14.347 1.00 1.00 C ATOM 658 NE ARG A 41 20.132 -12.838 -15.512 1.00 1.00 N ATOM 659 CZ ARG A 41 18.805 -13.077 -15.436 1.00 1.00 C ATOM 660 NH1 ARG A 41 18.202 -13.018 -14.241 1.00 1.00 N ATOM 661 NH2 ARG A 41 18.103 -13.368 -16.539 1.00 1.00 N ATOM 0 H ARG A 41 17.774 -9.545 -13.352 1.00 1.00 H new ATOM 0 HA ARG A 41 20.566 -8.799 -13.271 1.00 1.00 H new ATOM 0 HB2 ARG A 41 18.976 -10.914 -14.389 1.00 1.00 H new ATOM 0 HB3 ARG A 41 19.828 -10.128 -15.704 1.00 1.00 H new ATOM 0 HG2 ARG A 41 21.950 -10.643 -14.833 1.00 1.00 H new ATOM 0 HG3 ARG A 41 21.371 -10.736 -13.181 1.00 1.00 H new ATOM 0 HD2 ARG A 41 21.967 -12.966 -14.465 1.00 1.00 H new ATOM 0 HD3 ARG A 41 20.548 -12.925 -13.439 1.00 1.00 H new ATOM 0 HE ARG A 41 20.575 -12.887 -16.430 1.00 1.00 H new ATOM 0 HH11 ARG A 41 18.745 -12.795 -13.406 1.00 1.00 H new ATOM 0 HH12 ARG A 41 17.200 -13.196 -14.166 1.00 1.00 H new ATOM 0 HH21 ARG A 41 18.570 -13.410 -17.445 1.00 1.00 H new ATOM 0 HH22 ARG A 41 17.101 -13.547 -16.473 1.00 1.00 H new ATOM 675 N PHE A 42 20.635 -6.948 -14.982 1.00 1.00 N ATOM 676 CA PHE A 42 20.677 -5.843 -15.925 1.00 1.00 C ATOM 677 C PHE A 42 22.119 -5.632 -16.392 1.00 1.00 C ATOM 678 O PHE A 42 22.991 -6.415 -15.988 1.00 1.00 O ATOM 679 CB PHE A 42 20.132 -4.573 -15.243 1.00 1.00 C ATOM 680 CG PHE A 42 21.163 -3.789 -14.442 1.00 1.00 C ATOM 681 CD1 PHE A 42 21.847 -4.408 -13.370 1.00 1.00 C ATOM 682 CD2 PHE A 42 21.449 -2.443 -14.768 1.00 1.00 C ATOM 683 CE1 PHE A 42 22.806 -3.686 -12.629 1.00 1.00 C ATOM 684 CE2 PHE A 42 22.408 -1.722 -14.026 1.00 1.00 C ATOM 685 CZ PHE A 42 23.087 -2.343 -12.956 1.00 1.00 C ATOM 0 H PHE A 42 21.440 -6.997 -14.357 1.00 1.00 H new ATOM 0 HA PHE A 42 20.058 -6.066 -16.794 1.00 1.00 H new ATOM 0 HB2 PHE A 42 19.711 -3.919 -16.007 1.00 1.00 H new ATOM 0 HB3 PHE A 42 19.315 -4.855 -14.580 1.00 1.00 H new ATOM 0 HD1 PHE A 42 21.635 -5.436 -13.118 1.00 1.00 H new ATOM 0 HD2 PHE A 42 20.932 -1.966 -15.587 1.00 1.00 H new ATOM 0 HE1 PHE A 42 23.326 -4.162 -11.811 1.00 1.00 H new ATOM 0 HE2 PHE A 42 22.623 -0.694 -14.277 1.00 1.00 H new ATOM 0 HZ PHE A 42 23.821 -1.791 -12.388 1.00 1.00 H new ATOM 695 N LYS A 43 22.338 -4.595 -17.220 1.00 1.00 N ATOM 696 CA LYS A 43 23.661 -4.286 -17.735 1.00 1.00 C ATOM 697 C LYS A 43 24.324 -3.242 -16.834 1.00 1.00 C ATOM 698 O LYS A 43 23.760 -2.936 -15.774 1.00 1.00 O ATOM 699 CB LYS A 43 23.579 -3.868 -19.205 1.00 1.00 C ATOM 700 CG LYS A 43 22.126 -3.816 -19.680 1.00 1.00 C ATOM 701 CD LYS A 43 21.463 -5.191 -19.568 1.00 1.00 C ATOM 702 CE LYS A 43 20.942 -5.660 -20.928 1.00 1.00 C ATOM 703 NZ LYS A 43 20.149 -6.891 -20.780 1.00 1.00 N ATOM 0 H LYS A 43 21.606 -3.962 -17.541 1.00 1.00 H new ATOM 0 HA LYS A 43 24.295 -5.173 -17.714 1.00 1.00 H new ATOM 0 HB2 LYS A 43 24.043 -2.890 -19.335 1.00 1.00 H new ATOM 0 HB3 LYS A 43 24.141 -4.572 -19.819 1.00 1.00 H new ATOM 0 HG2 LYS A 43 21.571 -3.091 -19.085 1.00 1.00 H new ATOM 0 HG3 LYS A 43 22.090 -3.474 -20.714 1.00 1.00 H new ATOM 0 HD2 LYS A 43 22.180 -5.914 -19.180 1.00 1.00 H new ATOM 0 HD3 LYS A 43 20.640 -5.145 -18.855 1.00 1.00 H new ATOM 0 HE2 LYS A 43 20.330 -4.878 -21.379 1.00 1.00 H new ATOM 0 HE3 LYS A 43 21.779 -5.839 -21.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 19.803 -7.195 -21.712 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 20.743 -7.640 -20.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 19.339 -6.709 -20.153 1.00 1.00 H new ATOM 717 N TYR A 44 25.488 -2.726 -17.267 1.00 1.00 N ATOM 718 CA TYR A 44 26.171 -1.733 -16.455 1.00 1.00 C ATOM 719 C TYR A 44 26.751 -0.648 -17.365 1.00 1.00 C ATOM 720 O TYR A 44 26.347 0.514 -17.216 1.00 1.00 O ATOM 721 CB TYR A 44 27.261 -2.413 -15.606 1.00 1.00 C ATOM 722 CG TYR A 44 28.165 -1.449 -14.850 1.00 1.00 C ATOM 723 CD1 TYR A 44 27.813 -0.084 -14.747 1.00 1.00 C ATOM 724 CD2 TYR A 44 29.354 -1.912 -14.241 1.00 1.00 C ATOM 725 CE1 TYR A 44 28.646 0.813 -14.044 1.00 1.00 C ATOM 726 CE2 TYR A 44 30.187 -1.016 -13.538 1.00 1.00 C ATOM 727 CZ TYR A 44 29.834 0.348 -13.439 1.00 1.00 C ATOM 728 OH TYR A 44 30.638 1.219 -12.761 1.00 1.00 O ATOM 0 H TYR A 44 25.952 -2.974 -18.141 1.00 1.00 H new ATOM 0 HA TYR A 44 25.468 -1.259 -15.769 1.00 1.00 H new ATOM 0 HB2 TYR A 44 26.782 -3.080 -14.889 1.00 1.00 H new ATOM 0 HB3 TYR A 44 27.877 -3.034 -16.257 1.00 1.00 H new ATOM 0 HD1 TYR A 44 26.904 0.274 -15.208 1.00 1.00 H new ATOM 0 HD2 TYR A 44 29.626 -2.955 -14.314 1.00 1.00 H new ATOM 0 HE1 TYR A 44 28.374 1.856 -13.969 1.00 1.00 H new ATOM 0 HE2 TYR A 44 31.095 -1.373 -13.075 1.00 1.00 H new ATOM 0 HH TYR A 44 31.414 0.738 -12.405 1.00 1.00 H new ATOM 789 N ASN A 50 25.654 4.007 -11.110 1.00 1.00 N ATOM 790 CA ASN A 50 25.212 4.152 -9.734 1.00 1.00 C ATOM 791 C ASN A 50 25.863 3.066 -8.876 1.00 1.00 C ATOM 792 O ASN A 50 26.730 2.347 -9.393 1.00 1.00 O ATOM 793 CB ASN A 50 23.694 3.995 -9.624 1.00 1.00 C ATOM 794 CG ASN A 50 23.249 2.613 -10.109 1.00 1.00 C ATOM 795 OD1 ASN A 50 24.045 1.788 -10.525 1.00 1.00 O ATOM 796 ND2 ASN A 50 21.937 2.409 -10.033 1.00 1.00 N ATOM 0 HA ASN A 50 25.498 5.146 -9.391 1.00 1.00 H new ATOM 0 HB2 ASN A 50 23.384 4.138 -8.589 1.00 1.00 H new ATOM 0 HB3 ASN A 50 23.201 4.768 -10.214 1.00 1.00 H new ATOM 0 HD21 ASN A 50 21.541 1.518 -10.333 1.00 1.00 H new ATOM 0 HD22 ASN A 50 21.327 3.143 -9.674 1.00 1.00 H new ATOM 803 N MET A 51 25.440 2.970 -7.603 1.00 1.00 N ATOM 804 CA MET A 51 25.979 1.980 -6.685 1.00 1.00 C ATOM 805 C MET A 51 25.151 0.698 -6.780 1.00 1.00 C ATOM 806 O MET A 51 25.620 -0.345 -6.301 1.00 1.00 O ATOM 807 CB MET A 51 25.939 2.509 -5.250 1.00 1.00 C ATOM 808 CG MET A 51 26.092 4.031 -5.221 1.00 1.00 C ATOM 809 SD MET A 51 27.164 4.523 -3.840 1.00 1.00 S ATOM 810 CE MET A 51 26.435 3.529 -2.505 1.00 1.00 C ATOM 0 H MET A 51 24.724 3.573 -7.196 1.00 1.00 H new ATOM 0 HA MET A 51 27.014 1.772 -6.955 1.00 1.00 H new ATOM 0 HB2 MET A 51 24.997 2.226 -4.781 1.00 1.00 H new ATOM 0 HB3 MET A 51 26.737 2.049 -4.667 1.00 1.00 H new ATOM 0 HG2 MET A 51 26.516 4.380 -6.163 1.00 1.00 H new ATOM 0 HG3 MET A 51 25.114 4.501 -5.118 1.00 1.00 H new ATOM 0 HE1 MET A 51 26.989 3.698 -1.581 1.00 1.00 H new ATOM 0 HE2 MET A 51 25.394 3.819 -2.362 1.00 1.00 H new ATOM 0 HE3 MET A 51 26.484 2.473 -2.769 1.00 1.00 H new ATOM 820 N ASN A 52 23.954 0.798 -7.386 1.00 1.00 N ATOM 821 CA ASN A 52 23.071 -0.346 -7.541 1.00 1.00 C ATOM 822 C ASN A 52 23.492 -1.146 -8.776 1.00 1.00 C ATOM 823 O ASN A 52 22.633 -1.405 -9.632 1.00 1.00 O ATOM 824 CB ASN A 52 21.621 0.100 -7.738 1.00 1.00 C ATOM 825 CG ASN A 52 20.646 -0.986 -7.278 1.00 1.00 C ATOM 826 OD1 ASN A 52 20.905 -1.737 -6.353 1.00 1.00 O ATOM 827 ND2 ASN A 52 19.514 -1.025 -7.974 1.00 1.00 N ATOM 0 H ASN A 52 23.586 1.667 -7.773 1.00 1.00 H new ATOM 0 HA ASN A 52 23.142 -0.952 -6.638 1.00 1.00 H new ATOM 0 HB2 ASN A 52 21.440 1.017 -7.178 1.00 1.00 H new ATOM 0 HB3 ASN A 52 21.447 0.329 -8.789 1.00 1.00 H new ATOM 0 HD21 ASN A 52 18.798 -1.714 -7.745 1.00 1.00 H new ATOM 0 HD22 ASN A 52 19.362 -0.366 -8.737 1.00 1.00 H new ATOM 834 N ASN A 53 24.783 -1.516 -8.842 1.00 1.00 N ATOM 835 CA ASN A 53 25.309 -2.279 -9.961 1.00 1.00 C ATOM 836 C ASN A 53 26.196 -3.408 -9.432 1.00 1.00 C ATOM 837 O ASN A 53 27.417 -3.210 -9.348 1.00 1.00 O ATOM 838 CB ASN A 53 26.162 -1.398 -10.876 1.00 1.00 C ATOM 839 CG ASN A 53 27.144 -2.242 -11.691 1.00 1.00 C ATOM 840 OD1 ASN A 53 26.765 -3.076 -12.497 1.00 1.00 O ATOM 841 ND2 ASN A 53 28.423 -1.981 -11.436 1.00 1.00 N ATOM 0 H ASN A 53 25.474 -1.293 -8.126 1.00 1.00 H new ATOM 0 HA ASN A 53 24.464 -2.675 -10.525 1.00 1.00 H new ATOM 0 HB2 ASN A 53 25.516 -0.834 -11.549 1.00 1.00 H new ATOM 0 HB3 ASN A 53 26.711 -0.671 -10.278 1.00 1.00 H new ATOM 0 HD21 ASN A 53 29.156 -2.492 -11.928 1.00 1.00 H new ATOM 0 HD22 ASN A 53 28.671 -1.269 -10.749 1.00 1.00 H new ATOM 848 N PHE A 54 25.575 -4.551 -9.090 1.00 1.00 N ATOM 849 CA PHE A 54 26.303 -5.698 -8.575 1.00 1.00 C ATOM 850 C PHE A 54 26.731 -6.591 -9.741 1.00 1.00 C ATOM 851 O PHE A 54 26.358 -6.288 -10.884 1.00 1.00 O ATOM 852 CB PHE A 54 25.400 -6.473 -7.595 1.00 1.00 C ATOM 853 CG PHE A 54 24.921 -5.664 -6.397 1.00 1.00 C ATOM 854 CD1 PHE A 54 23.714 -4.929 -6.468 1.00 1.00 C ATOM 855 CD2 PHE A 54 25.685 -5.638 -5.208 1.00 1.00 C ATOM 856 CE1 PHE A 54 23.276 -4.176 -5.358 1.00 1.00 C ATOM 857 CE2 PHE A 54 25.245 -4.886 -4.098 1.00 1.00 C ATOM 858 CZ PHE A 54 24.041 -4.155 -4.173 1.00 1.00 C ATOM 0 H PHE A 54 24.568 -4.694 -9.166 1.00 1.00 H new ATOM 0 HA PHE A 54 27.196 -5.369 -8.043 1.00 1.00 H new ATOM 0 HB2 PHE A 54 24.530 -6.842 -8.138 1.00 1.00 H new ATOM 0 HB3 PHE A 54 25.944 -7.345 -7.233 1.00 1.00 H new ATOM 0 HD1 PHE A 54 23.126 -4.944 -7.374 1.00 1.00 H new ATOM 0 HD2 PHE A 54 26.608 -6.195 -5.149 1.00 1.00 H new ATOM 0 HE1 PHE A 54 22.355 -3.615 -5.416 1.00 1.00 H new ATOM 0 HE2 PHE A 54 25.830 -4.870 -3.191 1.00 1.00 H new ATOM 0 HZ PHE A 54 23.705 -3.579 -3.323 1.00 1.00 H new ATOM 868 N GLU A 55 27.493 -7.657 -9.435 1.00 1.00 N ATOM 869 CA GLU A 55 27.965 -8.582 -10.451 1.00 1.00 C ATOM 870 C GLU A 55 27.211 -9.907 -10.318 1.00 1.00 C ATOM 871 O GLU A 55 26.845 -10.483 -11.353 1.00 1.00 O ATOM 872 CB GLU A 55 29.476 -8.800 -10.354 1.00 1.00 C ATOM 873 CG GLU A 55 30.221 -7.464 -10.312 1.00 1.00 C ATOM 874 CD GLU A 55 31.702 -7.652 -10.647 1.00 1.00 C ATOM 875 OE1 GLU A 55 32.046 -8.496 -11.488 1.00 1.00 O ATOM 876 OE2 GLU A 55 32.510 -6.882 -9.999 1.00 1.00 O ATOM 0 H GLU A 55 27.789 -7.889 -8.487 1.00 1.00 H new ATOM 0 HA GLU A 55 27.768 -8.152 -11.433 1.00 1.00 H new ATOM 0 HB2 GLU A 55 29.707 -9.378 -9.459 1.00 1.00 H new ATOM 0 HB3 GLU A 55 29.818 -9.385 -11.208 1.00 1.00 H new ATOM 0 HG2 GLU A 55 29.770 -6.769 -11.020 1.00 1.00 H new ATOM 0 HG3 GLU A 55 30.122 -7.019 -9.322 1.00 1.00 H new ATOM 883 N THR A 56 26.997 -10.355 -9.068 1.00 1.00 N ATOM 884 CA THR A 56 26.293 -11.599 -8.807 1.00 1.00 C ATOM 885 C THR A 56 25.016 -11.302 -8.018 1.00 1.00 C ATOM 886 O THR A 56 25.012 -10.330 -7.248 1.00 1.00 O ATOM 887 CB THR A 56 27.243 -12.556 -8.085 1.00 1.00 C ATOM 888 OG1 THR A 56 28.156 -11.695 -7.410 1.00 1.00 O ATOM 889 CG2 THR A 56 28.125 -13.347 -9.054 1.00 1.00 C ATOM 0 H THR A 56 27.307 -9.865 -8.229 1.00 1.00 H new ATOM 0 HA THR A 56 25.983 -12.085 -9.732 1.00 1.00 H new ATOM 0 HB THR A 56 26.665 -13.248 -7.472 1.00 1.00 H new ATOM 0 HG1 THR A 56 28.808 -12.233 -6.914 1.00 1.00 H new ATOM 0 HG21 THR A 56 28.780 -14.011 -8.490 1.00 1.00 H new ATOM 0 HG22 THR A 56 27.495 -13.938 -9.720 1.00 1.00 H new ATOM 0 HG23 THR A 56 28.728 -12.656 -9.643 1.00 1.00 H new ATOM 897 N LEU A 57 23.976 -12.129 -8.221 1.00 1.00 N ATOM 898 CA LEU A 57 22.707 -11.956 -7.533 1.00 1.00 C ATOM 899 C LEU A 57 22.939 -12.018 -6.022 1.00 1.00 C ATOM 900 O LEU A 57 22.505 -11.093 -5.320 1.00 1.00 O ATOM 901 CB LEU A 57 21.680 -12.969 -8.041 1.00 1.00 C ATOM 902 CG LEU A 57 20.219 -12.677 -7.689 1.00 1.00 C ATOM 903 CD1 LEU A 57 19.636 -11.608 -8.614 1.00 1.00 C ATOM 904 CD2 LEU A 57 19.386 -13.960 -7.698 1.00 1.00 C ATOM 0 H LEU A 57 24.000 -12.923 -8.860 1.00 1.00 H new ATOM 0 HA LEU A 57 22.286 -10.975 -7.751 1.00 1.00 H new ATOM 0 HB2 LEU A 57 21.766 -13.031 -9.126 1.00 1.00 H new ATOM 0 HB3 LEU A 57 21.940 -13.950 -7.644 1.00 1.00 H new ATOM 0 HG LEU A 57 20.185 -12.279 -6.675 1.00 1.00 H new ATOM 0 HD11 LEU A 57 18.597 -11.419 -8.343 1.00 1.00 H new ATOM 0 HD12 LEU A 57 20.210 -10.687 -8.513 1.00 1.00 H new ATOM 0 HD13 LEU A 57 19.684 -11.955 -9.646 1.00 1.00 H new ATOM 0 HD21 LEU A 57 18.352 -13.724 -7.445 1.00 1.00 H new ATOM 0 HD22 LEU A 57 19.423 -14.411 -8.690 1.00 1.00 H new ATOM 0 HD23 LEU A 57 19.788 -14.660 -6.966 1.00 1.00 H new ATOM 916 N GLU A 58 23.606 -13.090 -5.559 1.00 1.00 N ATOM 917 CA GLU A 58 23.890 -13.269 -4.145 1.00 1.00 C ATOM 918 C GLU A 58 24.599 -12.022 -3.611 1.00 1.00 C ATOM 919 O GLU A 58 24.416 -11.702 -2.427 1.00 1.00 O ATOM 920 CB GLU A 58 24.727 -14.525 -3.895 1.00 1.00 C ATOM 921 CG GLU A 58 24.209 -15.295 -2.678 1.00 1.00 C ATOM 922 CD GLU A 58 25.062 -16.537 -2.412 1.00 1.00 C ATOM 923 OE1 GLU A 58 25.452 -17.167 -3.468 1.00 1.00 O ATOM 924 OE2 GLU A 58 25.326 -16.870 -1.247 1.00 1.00 O ATOM 0 H GLU A 58 23.955 -13.841 -6.154 1.00 1.00 H new ATOM 0 HA GLU A 58 22.948 -13.404 -3.613 1.00 1.00 H new ATOM 0 HB2 GLU A 58 24.698 -15.167 -4.775 1.00 1.00 H new ATOM 0 HB3 GLU A 58 25.769 -14.247 -3.737 1.00 1.00 H new ATOM 0 HG2 GLU A 58 24.220 -14.647 -1.801 1.00 1.00 H new ATOM 0 HG3 GLU A 58 23.173 -15.590 -2.844 1.00 1.00 H new ATOM 931 N GLU A 59 25.380 -11.355 -4.478 1.00 1.00 N ATOM 932 CA GLU A 59 26.107 -10.156 -4.095 1.00 1.00 C ATOM 933 C GLU A 59 25.116 -9.008 -3.891 1.00 1.00 C ATOM 934 O GLU A 59 25.207 -8.327 -2.859 1.00 1.00 O ATOM 935 CB GLU A 59 27.168 -9.787 -5.134 1.00 1.00 C ATOM 936 CG GLU A 59 28.302 -8.982 -4.496 1.00 1.00 C ATOM 937 CD GLU A 59 27.849 -8.343 -3.181 1.00 1.00 C ATOM 938 OE1 GLU A 59 27.267 -7.199 -3.303 1.00 1.00 O ATOM 939 OE2 GLU A 59 28.053 -8.927 -2.106 1.00 1.00 O ATOM 0 H GLU A 59 25.517 -11.636 -5.449 1.00 1.00 H new ATOM 0 HA GLU A 59 26.632 -10.348 -3.160 1.00 1.00 H new ATOM 0 HB2 GLU A 59 27.570 -10.694 -5.586 1.00 1.00 H new ATOM 0 HB3 GLU A 59 26.711 -9.207 -5.936 1.00 1.00 H new ATOM 0 HG2 GLU A 59 29.157 -9.633 -4.312 1.00 1.00 H new ATOM 0 HG3 GLU A 59 28.635 -8.206 -5.186 1.00 1.00 H new ATOM 946 N CYS A 60 24.205 -8.818 -4.863 1.00 1.00 N ATOM 947 CA CYS A 60 23.210 -7.763 -4.789 1.00 1.00 C ATOM 948 C CYS A 60 22.231 -8.068 -3.653 1.00 1.00 C ATOM 949 O CYS A 60 21.660 -7.120 -3.096 1.00 1.00 O ATOM 950 CB CYS A 60 22.492 -7.587 -6.129 1.00 1.00 C ATOM 951 SG CYS A 60 21.087 -6.435 -6.095 1.00 1.00 S ATOM 0 H CYS A 60 24.148 -9.389 -5.706 1.00 1.00 H new ATOM 0 HA CYS A 60 23.705 -6.816 -4.574 1.00 1.00 H new ATOM 0 HB2 CYS A 60 23.213 -7.237 -6.868 1.00 1.00 H new ATOM 0 HB3 CYS A 60 22.137 -8.561 -6.466 1.00 1.00 H new ATOM 957 N LYS A 61 22.061 -9.365 -3.338 1.00 1.00 N ATOM 958 CA LYS A 61 21.160 -9.788 -2.279 1.00 1.00 C ATOM 959 C LYS A 61 21.842 -9.586 -0.924 1.00 1.00 C ATOM 960 O LYS A 61 21.236 -8.953 -0.048 1.00 1.00 O ATOM 961 CB LYS A 61 20.685 -11.222 -2.522 1.00 1.00 C ATOM 962 CG LYS A 61 20.068 -11.367 -3.914 1.00 1.00 C ATOM 963 CD LYS A 61 18.688 -12.023 -3.836 1.00 1.00 C ATOM 964 CE LYS A 61 17.665 -11.247 -4.668 1.00 1.00 C ATOM 965 NZ LYS A 61 17.421 -11.928 -5.951 1.00 1.00 N ATOM 0 H LYS A 61 22.542 -10.131 -3.810 1.00 1.00 H new ATOM 0 HA LYS A 61 20.259 -9.175 -2.277 1.00 1.00 H new ATOM 0 HB2 LYS A 61 21.525 -11.909 -2.419 1.00 1.00 H new ATOM 0 HB3 LYS A 61 19.952 -11.499 -1.765 1.00 1.00 H new ATOM 0 HG2 LYS A 61 19.983 -10.386 -4.382 1.00 1.00 H new ATOM 0 HG3 LYS A 61 20.724 -11.966 -4.546 1.00 1.00 H new ATOM 0 HD2 LYS A 61 18.749 -13.051 -4.194 1.00 1.00 H new ATOM 0 HD3 LYS A 61 18.360 -12.066 -2.797 1.00 1.00 H new ATOM 0 HE2 LYS A 61 16.731 -11.156 -4.114 1.00 1.00 H new ATOM 0 HE3 LYS A 61 18.027 -10.235 -4.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 17.156 -11.226 -6.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 18.285 -12.423 -6.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 16.649 -12.616 -5.838 1.00 1.00 H new ATOM 979 N ASN A 62 23.068 -10.120 -0.782 1.00 1.00 N ATOM 980 CA ASN A 62 23.822 -10.000 0.454 1.00 1.00 C ATOM 981 C ASN A 62 23.915 -8.524 0.848 1.00 1.00 C ATOM 982 O ASN A 62 23.782 -8.223 2.043 1.00 1.00 O ATOM 983 CB ASN A 62 25.245 -10.535 0.286 1.00 1.00 C ATOM 984 CG ASN A 62 26.003 -10.506 1.615 1.00 1.00 C ATOM 985 OD1 ASN A 62 25.459 -10.196 2.662 1.00 1.00 O ATOM 986 ND2 ASN A 62 27.285 -10.846 1.515 1.00 1.00 N ATOM 0 H ASN A 62 23.549 -10.638 -1.517 1.00 1.00 H new ATOM 0 HA ASN A 62 23.307 -10.580 1.220 1.00 1.00 H new ATOM 0 HB2 ASN A 62 25.211 -11.556 -0.095 1.00 1.00 H new ATOM 0 HB3 ASN A 62 25.777 -9.937 -0.453 1.00 1.00 H new ATOM 0 HD21 ASN A 62 27.876 -10.858 2.346 1.00 1.00 H new ATOM 0 HD22 ASN A 62 27.677 -11.095 0.607 1.00 1.00 H new ATOM 993 N ILE A 63 24.138 -7.648 -0.148 1.00 1.00 N ATOM 994 CA ILE A 63 24.248 -6.220 0.093 1.00 1.00 C ATOM 995 C ILE A 63 22.851 -5.635 0.309 1.00 1.00 C ATOM 996 O ILE A 63 22.634 -4.994 1.347 1.00 1.00 O ATOM 997 CB ILE A 63 25.030 -5.544 -1.035 1.00 1.00 C ATOM 998 CG1 ILE A 63 26.536 -5.746 -0.855 1.00 1.00 C ATOM 999 CG2 ILE A 63 24.659 -4.065 -1.150 1.00 1.00 C ATOM 1000 CD1 ILE A 63 26.842 -7.148 -0.325 1.00 1.00 C ATOM 0 H ILE A 63 24.244 -7.917 -1.126 1.00 1.00 H new ATOM 0 HA ILE A 63 24.818 -6.030 1.002 1.00 1.00 H new ATOM 0 HB ILE A 63 24.752 -6.019 -1.976 1.00 1.00 H new ATOM 0 HG12 ILE A 63 27.043 -5.595 -1.808 1.00 1.00 H new ATOM 0 HG13 ILE A 63 26.927 -4.999 -0.164 1.00 1.00 H new ATOM 0 HG21 ILE A 63 25.229 -3.609 -1.959 1.00 1.00 H new ATOM 0 HG22 ILE A 63 23.593 -3.972 -1.360 1.00 1.00 H new ATOM 0 HG23 ILE A 63 24.890 -3.558 -0.213 1.00 1.00 H new ATOM 0 HD11 ILE A 63 27.919 -7.265 -0.206 1.00 1.00 H new ATOM 0 HD12 ILE A 63 26.353 -7.287 0.639 1.00 1.00 H new ATOM 0 HD13 ILE A 63 26.472 -7.892 -1.030 1.00 1.00 H new ATOM 1012 N CYS A 64 21.946 -5.863 -0.660 1.00 1.00 N ATOM 1013 CA CYS A 64 20.585 -5.362 -0.576 1.00 1.00 C ATOM 1014 C CYS A 64 19.752 -6.304 0.296 1.00 1.00 C ATOM 1015 O CYS A 64 19.571 -6.002 1.484 1.00 1.00 O ATOM 1016 CB CYS A 64 19.975 -5.185 -1.968 1.00 1.00 C ATOM 1017 SG CYS A 64 20.956 -4.162 -3.105 1.00 1.00 S ATOM 0 H CYS A 64 22.145 -6.394 -1.508 1.00 1.00 H new ATOM 0 HA CYS A 64 20.592 -4.376 -0.112 1.00 1.00 H new ATOM 0 HB2 CYS A 64 19.835 -6.169 -2.416 1.00 1.00 H new ATOM 0 HB3 CYS A 64 18.986 -4.739 -1.862 1.00 1.00 H new ATOM 0 HG CYS A 64 21.481 -3.169 -2.451 1.00 1.00 H new ATOM 1023 N GLU A 65 19.270 -7.409 -0.302 1.00 1.00 N ATOM 1024 CA GLU A 65 18.466 -8.383 0.416 1.00 1.00 C ATOM 1025 C GLU A 65 19.010 -8.540 1.837 1.00 1.00 C ATOM 1026 O GLU A 65 18.225 -8.879 2.735 1.00 1.00 O ATOM 1027 CB GLU A 65 18.433 -9.729 -0.311 1.00 1.00 C ATOM 1028 CG GLU A 65 17.338 -9.750 -1.379 1.00 1.00 C ATOM 1029 CD GLU A 65 16.661 -11.120 -1.443 1.00 1.00 C ATOM 1030 OE1 GLU A 65 17.205 -12.106 -0.924 1.00 1.00 O ATOM 1031 OE2 GLU A 65 15.528 -11.140 -2.060 1.00 1.00 O ATOM 0 H GLU A 65 19.430 -7.639 -1.283 1.00 1.00 H new ATOM 0 HA GLU A 65 17.439 -8.022 0.463 1.00 1.00 H new ATOM 0 HB2 GLU A 65 19.401 -9.920 -0.774 1.00 1.00 H new ATOM 0 HB3 GLU A 65 18.260 -10.530 0.408 1.00 1.00 H new ATOM 0 HG2 GLU A 65 16.595 -8.983 -1.159 1.00 1.00 H new ATOM 0 HG3 GLU A 65 17.768 -9.507 -2.351 1.00 1.00 H new ATOM 1038 N ASP A 66 20.321 -8.295 2.011 1.00 1.00 N ATOM 1039 CA ASP A 66 20.960 -8.408 3.311 1.00 1.00 C ATOM 1040 C ASP A 66 20.314 -9.553 4.094 1.00 1.00 C ATOM 1041 O ASP A 66 19.350 -9.295 4.829 1.00 1.00 O ATOM 1042 CB ASP A 66 20.787 -7.123 4.123 1.00 1.00 C ATOM 1043 CG ASP A 66 19.386 -6.510 4.073 1.00 1.00 C ATOM 1044 OD1 ASP A 66 18.384 -7.180 4.363 1.00 1.00 O ATOM 1045 OD2 ASP A 66 19.346 -5.272 3.712 1.00 1.00 O ATOM 0 H ASP A 66 20.950 -8.017 1.258 1.00 1.00 H new ATOM 0 HA ASP A 66 22.022 -8.593 3.150 1.00 1.00 H new ATOM 0 HB2 ASP A 66 21.039 -7.331 5.163 1.00 1.00 H new ATOM 0 HB3 ASP A 66 21.503 -6.384 3.763 1.00 1.00 H new