USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=17 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 14 CYS SG : rot -132:sc= -17.9! USER MOD Set 1.2: A 39 CYS SG : rot -89:sc= -12.5! USER MOD Set 1.3: A 60 CYS SG : rot -85:sc= -16.9! USER MOD Set 1.4: A 64 CYS SG : rot -54:sc= -20.6! USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= -1.02! (180deg=-1.03!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 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 150:sc= -1.04! USER MOD Single : A 32 TYR OH : rot 89:sc= 1.09 USER MOD Single : A 33 ASN : amide:sc= -2.32! C(o=-2.3!,f=-19!) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.129 F(o=-0.79,f=-0.13) USER MOD Single : A 35 GLN : amide:sc=-0.00338 X(o=-0.0034,f=0) USER MOD Single : A 36 THR OG1 : rot 138:sc= -0.15 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -3.19! C(o=-4.1!,f=-3.2!) 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= -9.62! C(o=-9.6!,f=-16!) USER MOD Single : A 51 MET CE :methyl -174:sc= 0 (180deg=-0.00253) USER MOD Single : A 52 ASN : amide:sc= -4 K(o=-4,f=-7.4!) USER MOD Single : A 53 ASN : amide:sc= -13! C(o=-13!,f=-16!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= -0.121 (180deg=-1.97) USER MOD Single : A 62 ASN : amide:sc= -0.354 K(o=-0.35,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 10 5.128 -8.080 18.034 1.00 1.00 N ATOM 146 CA LYS A 10 4.645 -8.550 19.321 1.00 1.00 C ATOM 147 C LYS A 10 5.063 -7.560 20.410 1.00 1.00 C ATOM 148 O LYS A 10 6.131 -6.947 20.270 1.00 1.00 O ATOM 149 CB LYS A 10 5.117 -9.983 19.579 1.00 1.00 C ATOM 150 CG LYS A 10 4.016 -10.991 19.244 1.00 1.00 C ATOM 151 CD LYS A 10 3.552 -11.734 20.499 1.00 1.00 C ATOM 152 CE LYS A 10 2.949 -13.093 20.139 1.00 1.00 C ATOM 153 NZ LYS A 10 1.542 -12.942 19.733 1.00 1.00 N ATOM 0 HA LYS A 10 3.556 -8.591 19.328 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.002 -10.192 18.978 1.00 1.00 H new ATOM 0 HB3 LYS A 10 5.409 -10.091 20.624 1.00 1.00 H new ATOM 0 HG2 LYS A 10 3.171 -10.474 18.790 1.00 1.00 H new ATOM 0 HG3 LYS A 10 4.384 -11.706 18.509 1.00 1.00 H new ATOM 0 HD2 LYS A 10 4.395 -11.874 21.176 1.00 1.00 H new ATOM 0 HD3 LYS A 10 2.813 -11.133 21.030 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.520 -13.548 19.330 1.00 1.00 H new ATOM 0 HE3 LYS A 10 3.017 -13.765 20.994 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 1.163 -13.866 19.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 0.987 -12.575 20.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 1.480 -12.277 18.935 1.00 1.00 H new ATOM 167 N PRO A 11 4.227 -7.426 21.455 1.00 1.00 N ATOM 168 CA PRO A 11 4.476 -6.530 22.571 1.00 1.00 C ATOM 169 C PRO A 11 5.588 -7.071 23.472 1.00 1.00 C ATOM 170 O PRO A 11 5.308 -7.967 24.281 1.00 1.00 O ATOM 171 CB PRO A 11 3.139 -6.409 23.285 1.00 1.00 C ATOM 172 CG PRO A 11 2.312 -7.598 22.823 1.00 1.00 C ATOM 173 CD PRO A 11 2.999 -8.200 21.608 1.00 1.00 C ATOM 0 HA PRO A 11 4.832 -5.551 22.252 1.00 1.00 H new ATOM 0 HB2 PRO A 11 3.271 -6.422 24.367 1.00 1.00 H new ATOM 0 HB3 PRO A 11 2.646 -5.469 23.035 1.00 1.00 H new ATOM 0 HG2 PRO A 11 2.228 -8.337 23.620 1.00 1.00 H new ATOM 0 HG3 PRO A 11 1.299 -7.284 22.572 1.00 1.00 H new ATOM 0 HD2 PRO A 11 3.214 -9.258 21.758 1.00 1.00 H new ATOM 0 HD3 PRO A 11 2.371 -8.125 20.720 1.00 1.00 H new ATOM 181 N ASP A 12 6.808 -6.526 23.316 1.00 1.00 N ATOM 182 CA ASP A 12 7.949 -6.951 24.110 1.00 1.00 C ATOM 183 C ASP A 12 7.654 -6.707 25.591 1.00 1.00 C ATOM 184 O ASP A 12 8.119 -7.498 26.424 1.00 1.00 O ATOM 185 CB ASP A 12 9.203 -6.158 23.740 1.00 1.00 C ATOM 186 CG ASP A 12 10.413 -6.404 24.644 1.00 1.00 C ATOM 187 OD1 ASP A 12 10.330 -7.450 25.394 1.00 1.00 O ATOM 188 OD2 ASP A 12 11.386 -5.635 24.631 1.00 1.00 O ATOM 0 H ASP A 12 7.018 -5.789 22.643 1.00 1.00 H new ATOM 0 HA ASP A 12 8.121 -8.009 23.914 1.00 1.00 H new ATOM 0 HB2 ASP A 12 9.479 -6.402 22.714 1.00 1.00 H new ATOM 0 HB3 ASP A 12 8.962 -5.095 23.762 1.00 1.00 H new ATOM 193 N PHE A 13 6.898 -5.633 25.885 1.00 1.00 N ATOM 194 CA PHE A 13 6.546 -5.291 27.253 1.00 1.00 C ATOM 195 C PHE A 13 5.924 -6.510 27.935 1.00 1.00 C ATOM 196 O PHE A 13 6.105 -6.662 29.152 1.00 1.00 O ATOM 197 CB PHE A 13 5.560 -4.107 27.242 1.00 1.00 C ATOM 198 CG PHE A 13 4.162 -4.450 26.742 1.00 1.00 C ATOM 199 CD1 PHE A 13 3.304 -5.261 27.521 1.00 1.00 C ATOM 200 CD2 PHE A 13 3.718 -3.962 25.491 1.00 1.00 C ATOM 201 CE1 PHE A 13 2.011 -5.579 27.052 1.00 1.00 C ATOM 202 CE2 PHE A 13 2.425 -4.281 25.024 1.00 1.00 C ATOM 203 CZ PHE A 13 1.572 -5.089 25.804 1.00 1.00 C ATOM 0 H PHE A 13 6.524 -4.993 25.184 1.00 1.00 H new ATOM 0 HA PHE A 13 7.437 -4.999 27.809 1.00 1.00 H new ATOM 0 HB2 PHE A 13 5.482 -3.707 28.253 1.00 1.00 H new ATOM 0 HB3 PHE A 13 5.971 -3.315 26.616 1.00 1.00 H new ATOM 0 HD1 PHE A 13 3.639 -5.638 28.476 1.00 1.00 H new ATOM 0 HD2 PHE A 13 4.370 -3.344 24.892 1.00 1.00 H new ATOM 0 HE1 PHE A 13 1.357 -6.198 27.649 1.00 1.00 H new ATOM 0 HE2 PHE A 13 2.089 -3.906 24.069 1.00 1.00 H new ATOM 0 HZ PHE A 13 0.583 -5.333 25.446 1.00 1.00 H new ATOM 213 N CYS A 14 5.214 -7.342 27.152 1.00 1.00 N ATOM 214 CA CYS A 14 4.572 -8.535 27.677 1.00 1.00 C ATOM 215 C CYS A 14 5.635 -9.458 28.277 1.00 1.00 C ATOM 216 O CYS A 14 5.384 -10.026 29.350 1.00 1.00 O ATOM 217 CB CYS A 14 3.748 -9.240 26.597 1.00 1.00 C ATOM 218 SG CYS A 14 2.187 -8.414 26.170 1.00 1.00 S ATOM 0 H CYS A 14 5.077 -7.199 26.151 1.00 1.00 H new ATOM 0 HA CYS A 14 3.874 -8.252 28.465 1.00 1.00 H new ATOM 0 HB2 CYS A 14 4.355 -9.327 25.696 1.00 1.00 H new ATOM 0 HB3 CYS A 14 3.527 -10.253 26.932 1.00 1.00 H new ATOM 0 HG CYS A 14 1.222 -9.285 26.167 1.00 1.00 H new ATOM 224 N PHE A 15 6.781 -9.586 27.586 1.00 1.00 N ATOM 225 CA PHE A 15 7.869 -10.432 28.048 1.00 1.00 C ATOM 226 C PHE A 15 8.635 -9.708 29.157 1.00 1.00 C ATOM 227 O PHE A 15 9.455 -10.355 29.826 1.00 1.00 O ATOM 228 CB PHE A 15 8.798 -10.756 26.863 1.00 1.00 C ATOM 229 CG PHE A 15 8.078 -11.099 25.566 1.00 1.00 C ATOM 230 CD1 PHE A 15 7.078 -12.100 25.546 1.00 1.00 C ATOM 231 CD2 PHE A 15 8.410 -10.421 24.370 1.00 1.00 C ATOM 232 CE1 PHE A 15 6.416 -12.418 24.341 1.00 1.00 C ATOM 233 CE2 PHE A 15 7.747 -10.739 23.166 1.00 1.00 C ATOM 234 CZ PHE A 15 6.749 -11.737 23.151 1.00 1.00 C ATOM 0 H PHE A 15 6.968 -9.108 26.704 1.00 1.00 H new ATOM 0 HA PHE A 15 7.476 -11.366 28.449 1.00 1.00 H new ATOM 0 HB2 PHE A 15 9.450 -9.901 26.686 1.00 1.00 H new ATOM 0 HB3 PHE A 15 9.439 -11.593 27.139 1.00 1.00 H new ATOM 0 HD1 PHE A 15 6.821 -12.622 26.456 1.00 1.00 H new ATOM 0 HD2 PHE A 15 9.174 -9.657 24.378 1.00 1.00 H new ATOM 0 HE1 PHE A 15 5.654 -13.183 24.330 1.00 1.00 H new ATOM 0 HE2 PHE A 15 8.003 -10.218 22.255 1.00 1.00 H new ATOM 0 HZ PHE A 15 6.241 -11.979 22.229 1.00 1.00 H new ATOM 244 N LEU A 16 8.359 -8.403 29.328 1.00 1.00 N ATOM 245 CA LEU A 16 9.018 -7.603 30.346 1.00 1.00 C ATOM 246 C LEU A 16 8.704 -8.183 31.727 1.00 1.00 C ATOM 247 O LEU A 16 7.523 -8.200 32.105 1.00 1.00 O ATOM 248 CB LEU A 16 8.638 -6.129 30.198 1.00 1.00 C ATOM 249 CG LEU A 16 9.582 -5.123 30.860 1.00 1.00 C ATOM 250 CD1 LEU A 16 8.853 -4.311 31.932 1.00 1.00 C ATOM 251 CD2 LEU A 16 10.825 -5.821 31.416 1.00 1.00 C ATOM 0 H LEU A 16 7.680 -7.889 28.766 1.00 1.00 H new ATOM 0 HA LEU A 16 10.100 -7.644 30.221 1.00 1.00 H new ATOM 0 HB2 LEU A 16 8.577 -5.895 29.135 1.00 1.00 H new ATOM 0 HB3 LEU A 16 7.640 -5.988 30.613 1.00 1.00 H new ATOM 0 HG LEU A 16 9.921 -4.420 30.099 1.00 1.00 H new ATOM 0 HD11 LEU A 16 9.546 -3.604 32.387 1.00 1.00 H new ATOM 0 HD12 LEU A 16 8.026 -3.767 31.476 1.00 1.00 H new ATOM 0 HD13 LEU A 16 8.466 -4.984 32.698 1.00 1.00 H new ATOM 0 HD21 LEU A 16 11.479 -5.083 31.881 1.00 1.00 H new ATOM 0 HD22 LEU A 16 10.525 -6.560 32.159 1.00 1.00 H new ATOM 0 HD23 LEU A 16 11.357 -6.317 30.605 1.00 1.00 H new ATOM 263 N GLU A 17 9.749 -8.641 32.440 1.00 1.00 N ATOM 264 CA GLU A 17 9.585 -9.215 33.764 1.00 1.00 C ATOM 265 C GLU A 17 8.444 -8.498 34.489 1.00 1.00 C ATOM 266 O GLU A 17 8.442 -7.258 34.504 1.00 1.00 O ATOM 267 CB GLU A 17 10.881 -9.140 34.574 1.00 1.00 C ATOM 268 CG GLU A 17 12.091 -9.491 33.705 1.00 1.00 C ATOM 269 CD GLU A 17 13.262 -9.971 34.565 1.00 1.00 C ATOM 270 OE1 GLU A 17 13.585 -9.338 35.581 1.00 1.00 O ATOM 271 OE2 GLU A 17 13.843 -11.043 34.145 1.00 1.00 O ATOM 0 H GLU A 17 10.714 -8.619 32.110 1.00 1.00 H new ATOM 0 HA GLU A 17 9.337 -10.271 33.658 1.00 1.00 H new ATOM 0 HB2 GLU A 17 11.001 -8.137 34.983 1.00 1.00 H new ATOM 0 HB3 GLU A 17 10.825 -9.825 35.420 1.00 1.00 H new ATOM 0 HG2 GLU A 17 11.817 -10.267 32.991 1.00 1.00 H new ATOM 0 HG3 GLU A 17 12.394 -8.618 33.127 1.00 1.00 H new ATOM 278 N GLU A 18 7.512 -9.278 35.064 1.00 1.00 N ATOM 279 CA GLU A 18 6.378 -8.721 35.783 1.00 1.00 C ATOM 280 C GLU A 18 6.851 -7.549 36.644 1.00 1.00 C ATOM 281 O GLU A 18 7.887 -7.688 37.311 1.00 1.00 O ATOM 282 CB GLU A 18 5.677 -9.781 36.635 1.00 1.00 C ATOM 283 CG GLU A 18 6.327 -9.891 38.016 1.00 1.00 C ATOM 284 CD GLU A 18 6.114 -11.283 38.613 1.00 1.00 C ATOM 285 OE1 GLU A 18 4.972 -11.658 38.920 1.00 1.00 O ATOM 286 OE2 GLU A 18 7.186 -11.987 38.754 1.00 1.00 O ATOM 0 H GLU A 18 7.532 -10.297 35.038 1.00 1.00 H new ATOM 0 HA GLU A 18 5.647 -8.362 35.059 1.00 1.00 H new ATOM 0 HB2 GLU A 18 4.623 -9.526 36.744 1.00 1.00 H new ATOM 0 HB3 GLU A 18 5.721 -10.746 36.130 1.00 1.00 H new ATOM 0 HG2 GLU A 18 7.394 -9.685 37.937 1.00 1.00 H new ATOM 0 HG3 GLU A 18 5.905 -9.138 38.681 1.00 1.00 H new ATOM 293 N ASP A 19 6.097 -6.436 36.614 1.00 1.00 N ATOM 294 CA ASP A 19 6.437 -5.254 37.387 1.00 1.00 C ATOM 295 C ASP A 19 5.202 -4.779 38.156 1.00 1.00 C ATOM 296 O ASP A 19 4.317 -4.174 37.533 1.00 1.00 O ATOM 297 CB ASP A 19 6.895 -4.113 36.476 1.00 1.00 C ATOM 298 CG ASP A 19 7.812 -3.084 37.139 1.00 1.00 C ATOM 299 OD1 ASP A 19 7.430 -2.682 38.304 1.00 1.00 O ATOM 300 OD2 ASP A 19 8.842 -2.687 36.572 1.00 1.00 O ATOM 0 H ASP A 19 5.248 -6.342 36.057 1.00 1.00 H new ATOM 0 HA ASP A 19 7.246 -5.518 38.068 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.414 -4.540 35.618 1.00 1.00 H new ATOM 0 HB3 ASP A 19 6.014 -3.598 36.093 1.00 1.00 H new ATOM 305 N PRO A 20 5.168 -5.056 39.471 1.00 1.00 N ATOM 306 CA PRO A 20 4.070 -4.676 40.343 1.00 1.00 C ATOM 307 C PRO A 20 4.167 -3.200 40.735 1.00 1.00 C ATOM 308 O PRO A 20 3.137 -2.621 41.111 1.00 1.00 O ATOM 309 CB PRO A 20 4.169 -5.615 41.534 1.00 1.00 C ATOM 310 CG PRO A 20 5.584 -6.171 41.509 1.00 1.00 C ATOM 311 CD PRO A 20 6.186 -5.852 40.151 1.00 1.00 C ATOM 0 HA PRO A 20 3.098 -4.770 39.860 1.00 1.00 H new ATOM 0 HB2 PRO A 20 3.974 -5.085 42.466 1.00 1.00 H new ATOM 0 HB3 PRO A 20 3.433 -6.416 41.462 1.00 1.00 H new ATOM 0 HG2 PRO A 20 6.182 -5.728 42.305 1.00 1.00 H new ATOM 0 HG3 PRO A 20 5.574 -7.248 41.679 1.00 1.00 H new ATOM 0 HD2 PRO A 20 7.119 -5.298 40.252 1.00 1.00 H new ATOM 0 HD3 PRO A 20 6.414 -6.762 39.595 1.00 1.00 H new ATOM 319 N GLY A 21 5.382 -2.631 40.642 1.00 1.00 N ATOM 320 CA GLY A 21 5.607 -1.237 40.984 1.00 1.00 C ATOM 321 C GLY A 21 6.046 -1.140 42.447 1.00 1.00 C ATOM 322 O GLY A 21 5.702 -2.041 43.226 1.00 1.00 O ATOM 0 H GLY A 21 6.218 -3.126 40.331 1.00 1.00 H new ATOM 0 HA2 GLY A 21 6.371 -0.810 40.334 1.00 1.00 H new ATOM 0 HA3 GLY A 21 4.696 -0.660 40.827 1.00 1.00 H new ATOM 326 N ILE A 22 6.784 -0.068 42.784 1.00 1.00 N ATOM 327 CA ILE A 22 7.262 0.142 44.140 1.00 1.00 C ATOM 328 C ILE A 22 6.216 -0.372 45.131 1.00 1.00 C ATOM 329 O ILE A 22 6.426 -1.452 45.704 1.00 1.00 O ATOM 330 CB ILE A 22 7.643 1.608 44.354 1.00 1.00 C ATOM 331 CG1 ILE A 22 6.886 2.518 43.384 1.00 1.00 C ATOM 332 CG2 ILE A 22 9.158 1.801 44.257 1.00 1.00 C ATOM 333 CD1 ILE A 22 6.760 3.935 43.946 1.00 1.00 C ATOM 0 H ILE A 22 7.057 0.662 42.126 1.00 1.00 H new ATOM 0 HA ILE A 22 8.174 -0.429 44.314 1.00 1.00 H new ATOM 0 HB ILE A 22 7.346 1.894 45.363 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.406 2.548 42.427 1.00 1.00 H new ATOM 0 HG13 ILE A 22 5.894 2.108 43.195 1.00 1.00 H new ATOM 0 HG21 ILE A 22 9.402 2.852 44.413 1.00 1.00 H new ATOM 0 HG22 ILE A 22 9.651 1.197 45.019 1.00 1.00 H new ATOM 0 HG23 ILE A 22 9.502 1.491 43.270 1.00 1.00 H new ATOM 0 HD11 ILE A 22 6.218 4.561 43.237 1.00 1.00 H new ATOM 0 HD12 ILE A 22 6.218 3.905 44.891 1.00 1.00 H new ATOM 0 HD13 ILE A 22 7.754 4.351 44.111 1.00 1.00 H new ATOM 345 N CYS A 23 5.127 0.397 45.311 1.00 1.00 N ATOM 346 CA CYS A 23 4.061 0.021 46.223 1.00 1.00 C ATOM 347 C CYS A 23 3.795 -1.480 46.099 1.00 1.00 C ATOM 348 O CYS A 23 4.240 -2.078 45.108 1.00 1.00 O ATOM 349 CB CYS A 23 2.799 0.848 45.968 1.00 1.00 C ATOM 350 SG CYS A 23 1.884 0.396 44.464 1.00 1.00 S ATOM 0 H CYS A 23 4.973 1.283 44.830 1.00 1.00 H new ATOM 0 HA CYS A 23 4.370 0.234 47.246 1.00 1.00 H new ATOM 0 HB2 CYS A 23 2.134 0.745 46.826 1.00 1.00 H new ATOM 0 HB3 CYS A 23 3.077 1.900 45.905 1.00 1.00 H new ATOM 0 HG CYS A 23 0.836 1.156 44.349 1.00 1.00 H new ATOM 356 N ARG A 24 3.086 -2.050 47.090 1.00 1.00 N ATOM 357 CA ARG A 24 2.765 -3.467 47.090 1.00 1.00 C ATOM 358 C ARG A 24 1.259 -3.645 46.887 1.00 1.00 C ATOM 359 O ARG A 24 0.746 -4.731 47.198 1.00 1.00 O ATOM 360 CB ARG A 24 3.179 -4.138 48.402 1.00 1.00 C ATOM 361 CG ARG A 24 4.332 -5.118 48.177 1.00 1.00 C ATOM 362 CD ARG A 24 5.394 -4.512 47.256 1.00 1.00 C ATOM 363 NE ARG A 24 6.746 -4.801 47.784 1.00 1.00 N ATOM 364 CZ ARG A 24 7.298 -4.165 48.839 1.00 1.00 C ATOM 365 NH1 ARG A 24 6.595 -3.210 49.463 1.00 1.00 N ATOM 366 NH2 ARG A 24 8.530 -4.485 49.257 1.00 1.00 N ATOM 0 H ARG A 24 2.729 -1.540 47.898 1.00 1.00 H new ATOM 0 HA ARG A 24 3.318 -3.939 46.278 1.00 1.00 H new ATOM 0 HB2 ARG A 24 3.478 -3.379 49.124 1.00 1.00 H new ATOM 0 HB3 ARG A 24 2.327 -4.666 48.829 1.00 1.00 H new ATOM 0 HG2 ARG A 24 4.783 -5.381 49.134 1.00 1.00 H new ATOM 0 HG3 ARG A 24 3.950 -6.041 47.740 1.00 1.00 H new ATOM 0 HD2 ARG A 24 5.292 -4.921 46.251 1.00 1.00 H new ATOM 0 HD3 ARG A 24 5.248 -3.435 47.178 1.00 1.00 H new ATOM 0 HE ARG A 24 7.295 -5.526 47.322 1.00 1.00 H new ATOM 0 HH11 ARG A 24 5.657 -2.973 49.139 1.00 1.00 H new ATOM 0 HH12 ARG A 24 6.998 -2.720 50.262 1.00 1.00 H new ATOM 0 HH21 ARG A 24 9.058 -5.214 48.777 1.00 1.00 H new ATOM 0 HH22 ARG A 24 8.940 -4.000 50.055 1.00 1.00 H new ATOM 380 N GLY A 25 0.591 -2.594 46.379 1.00 1.00 N ATOM 381 CA GLY A 25 -0.841 -2.635 46.138 1.00 1.00 C ATOM 382 C GLY A 25 -1.166 -3.817 45.224 1.00 1.00 C ATOM 383 O GLY A 25 -1.273 -3.609 44.006 1.00 1.00 O ATOM 0 H GLY A 25 1.032 -1.708 46.131 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -1.378 -2.732 47.082 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -1.171 -1.703 45.678 1.00 1.00 H new ATOM 387 N TYR A 26 -1.316 -5.015 45.818 1.00 1.00 N ATOM 388 CA TYR A 26 -1.621 -6.179 45.004 1.00 1.00 C ATOM 389 C TYR A 26 -3.023 -6.027 44.410 1.00 1.00 C ATOM 390 O TYR A 26 -3.854 -5.359 45.042 1.00 1.00 O ATOM 391 CB TYR A 26 -1.494 -7.457 45.853 1.00 1.00 C ATOM 392 CG TYR A 26 -0.075 -7.780 46.300 1.00 1.00 C ATOM 393 CD1 TYR A 26 1.003 -6.971 45.871 1.00 1.00 C ATOM 394 CD2 TYR A 26 0.175 -8.882 47.150 1.00 1.00 C ATOM 395 CE1 TYR A 26 2.319 -7.264 46.285 1.00 1.00 C ATOM 396 CE2 TYR A 26 1.492 -9.175 47.564 1.00 1.00 C ATOM 397 CZ TYR A 26 2.566 -8.366 47.131 1.00 1.00 C ATOM 398 OH TYR A 26 3.842 -8.646 47.529 1.00 1.00 O ATOM 0 H TYR A 26 -1.233 -5.189 46.820 1.00 1.00 H new ATOM 0 HA TYR A 26 -0.911 -6.259 44.181 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.125 -7.356 46.736 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -1.881 -8.299 45.279 1.00 1.00 H new ATOM 0 HD1 TYR A 26 0.818 -6.126 45.224 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.644 -9.501 47.483 1.00 1.00 H new ATOM 0 HE1 TYR A 26 3.139 -6.644 45.954 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.679 -10.018 48.212 1.00 1.00 H new ATOM 0 HH TYR A 26 3.838 -9.436 48.109 1.00 1.00 H new ATOM 408 N ILE A 27 -3.253 -6.627 43.228 1.00 1.00 N ATOM 409 CA ILE A 27 -4.541 -6.544 42.560 1.00 1.00 C ATOM 410 C ILE A 27 -4.779 -7.826 41.760 1.00 1.00 C ATOM 411 O ILE A 27 -5.586 -7.793 40.820 1.00 1.00 O ATOM 412 CB ILE A 27 -4.626 -5.269 41.718 1.00 1.00 C ATOM 413 CG1 ILE A 27 -3.970 -4.090 42.439 1.00 1.00 C ATOM 414 CG2 ILE A 27 -6.074 -4.967 41.326 1.00 1.00 C ATOM 415 CD1 ILE A 27 -3.952 -2.845 41.550 1.00 1.00 C ATOM 0 H ILE A 27 -2.554 -7.173 42.724 1.00 1.00 H new ATOM 0 HA ILE A 27 -5.346 -6.470 43.291 1.00 1.00 H new ATOM 0 HB ILE A 27 -4.069 -5.432 40.795 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -4.512 -3.876 43.360 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -2.951 -4.354 42.722 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -6.107 -4.056 40.728 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -6.474 -5.797 40.744 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -6.674 -4.832 42.226 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -3.480 -2.022 42.086 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -3.389 -3.055 40.641 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -4.974 -2.570 41.289 1.00 1.00 H new ATOM 427 N THR A 28 -4.084 -8.912 42.143 1.00 1.00 N ATOM 428 CA THR A 28 -4.220 -10.191 41.466 1.00 1.00 C ATOM 429 C THR A 28 -4.327 -9.956 39.958 1.00 1.00 C ATOM 430 O THR A 28 -5.324 -10.391 39.363 1.00 1.00 O ATOM 431 CB THR A 28 -5.425 -10.929 42.053 1.00 1.00 C ATOM 432 OG1 THR A 28 -4.963 -11.395 43.318 1.00 1.00 O ATOM 433 CG2 THR A 28 -5.760 -12.208 41.284 1.00 1.00 C ATOM 0 H THR A 28 -3.424 -8.918 42.921 1.00 1.00 H new ATOM 0 HA THR A 28 -3.345 -10.822 41.622 1.00 1.00 H new ATOM 0 HB THR A 28 -6.292 -10.268 42.052 1.00 1.00 H new ATOM 0 HG1 THR A 28 -5.682 -11.884 43.769 1.00 1.00 H new ATOM 0 HG21 THR A 28 -6.622 -12.693 41.742 1.00 1.00 H new ATOM 0 HG22 THR A 28 -5.991 -11.960 40.248 1.00 1.00 H new ATOM 0 HG23 THR A 28 -4.906 -12.884 41.313 1.00 1.00 H new ATOM 441 N ARG A 29 -3.315 -9.284 39.380 1.00 1.00 N ATOM 442 CA ARG A 29 -3.297 -8.997 37.955 1.00 1.00 C ATOM 443 C ARG A 29 -2.622 -10.153 37.215 1.00 1.00 C ATOM 444 O ARG A 29 -2.262 -11.142 37.869 1.00 1.00 O ATOM 445 CB ARG A 29 -2.546 -7.698 37.653 1.00 1.00 C ATOM 446 CG ARG A 29 -3.314 -6.485 38.181 1.00 1.00 C ATOM 447 CD ARG A 29 -4.706 -6.400 37.551 1.00 1.00 C ATOM 448 NE ARG A 29 -5.416 -5.202 38.052 1.00 1.00 N ATOM 449 CZ ARG A 29 -6.759 -5.064 38.053 1.00 1.00 C ATOM 450 NH1 ARG A 29 -7.515 -6.062 37.576 1.00 1.00 N ATOM 451 NH2 ARG A 29 -7.327 -3.946 38.526 1.00 1.00 N ATOM 0 H ARG A 29 -2.503 -8.934 39.888 1.00 1.00 H new ATOM 0 HA ARG A 29 -4.328 -8.880 37.620 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.556 -7.732 38.108 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.400 -7.600 36.577 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -3.405 -6.552 39.265 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -2.756 -5.574 37.963 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -4.621 -6.355 36.465 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -5.277 -7.297 37.789 1.00 1.00 H new ATOM 0 HE ARG A 29 -4.856 -4.433 38.419 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -7.074 -6.910 37.219 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -8.531 -5.974 37.570 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -6.744 -3.192 38.889 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -8.342 -3.849 38.523 1.00 1.00 H new ATOM 465 N TYR A 30 -2.467 -10.008 35.887 1.00 1.00 N ATOM 466 CA TYR A 30 -1.837 -11.072 35.124 1.00 1.00 C ATOM 467 C TYR A 30 -0.724 -10.482 34.255 1.00 1.00 C ATOM 468 O TYR A 30 -0.795 -9.281 33.954 1.00 1.00 O ATOM 469 CB TYR A 30 -2.895 -11.806 34.280 1.00 1.00 C ATOM 470 CG TYR A 30 -4.023 -12.432 35.088 1.00 1.00 C ATOM 471 CD1 TYR A 30 -4.930 -11.616 35.803 1.00 1.00 C ATOM 472 CD2 TYR A 30 -4.166 -13.838 35.130 1.00 1.00 C ATOM 473 CE1 TYR A 30 -5.972 -12.202 36.552 1.00 1.00 C ATOM 474 CE2 TYR A 30 -5.208 -14.424 35.880 1.00 1.00 C ATOM 475 CZ TYR A 30 -6.113 -13.606 36.591 1.00 1.00 C ATOM 476 OH TYR A 30 -7.121 -14.177 37.314 1.00 1.00 O ATOM 0 H TYR A 30 -2.760 -9.194 35.347 1.00 1.00 H new ATOM 0 HA TYR A 30 -1.389 -11.803 35.797 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -3.323 -11.103 33.566 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -2.402 -12.587 33.702 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -4.825 -10.541 35.776 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -3.475 -14.466 34.586 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -6.663 -11.575 37.096 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -5.313 -15.498 35.910 1.00 1.00 H new ATOM 0 HH TYR A 30 -7.386 -15.022 36.895 1.00 1.00 H new ATOM 486 N PHE A 31 0.266 -11.313 33.884 1.00 1.00 N ATOM 487 CA PHE A 31 1.383 -10.866 33.069 1.00 1.00 C ATOM 488 C PHE A 31 1.909 -12.041 32.244 1.00 1.00 C ATOM 489 O PHE A 31 1.895 -13.172 32.752 1.00 1.00 O ATOM 490 CB PHE A 31 2.486 -10.303 33.986 1.00 1.00 C ATOM 491 CG PHE A 31 3.348 -11.359 34.665 1.00 1.00 C ATOM 492 CD1 PHE A 31 2.855 -12.058 35.790 1.00 1.00 C ATOM 493 CD2 PHE A 31 4.641 -11.651 34.172 1.00 1.00 C ATOM 494 CE1 PHE A 31 3.650 -13.041 36.419 1.00 1.00 C ATOM 495 CE2 PHE A 31 5.435 -12.634 34.801 1.00 1.00 C ATOM 496 CZ PHE A 31 4.939 -13.328 35.925 1.00 1.00 C ATOM 0 H PHE A 31 0.305 -12.299 34.142 1.00 1.00 H new ATOM 0 HA PHE A 31 1.061 -10.079 32.387 1.00 1.00 H new ATOM 0 HB2 PHE A 31 3.131 -9.650 33.398 1.00 1.00 H new ATOM 0 HB3 PHE A 31 2.021 -9.684 34.754 1.00 1.00 H new ATOM 0 HD1 PHE A 31 1.868 -11.840 36.170 1.00 1.00 H new ATOM 0 HD2 PHE A 31 5.022 -11.120 33.312 1.00 1.00 H new ATOM 0 HE1 PHE A 31 3.271 -13.573 37.279 1.00 1.00 H new ATOM 0 HE2 PHE A 31 6.422 -12.855 34.422 1.00 1.00 H new ATOM 0 HZ PHE A 31 5.547 -14.079 36.407 1.00 1.00 H new ATOM 506 N TYR A 32 2.357 -11.756 31.008 1.00 1.00 N ATOM 507 CA TYR A 32 2.866 -12.830 30.171 1.00 1.00 C ATOM 508 C TYR A 32 4.277 -13.202 30.630 1.00 1.00 C ATOM 509 O TYR A 32 5.180 -12.367 30.474 1.00 1.00 O ATOM 510 CB TYR A 32 2.839 -12.397 28.694 1.00 1.00 C ATOM 511 CG TYR A 32 2.902 -13.547 27.698 1.00 1.00 C ATOM 512 CD1 TYR A 32 4.154 -14.073 27.304 1.00 1.00 C ATOM 513 CD2 TYR A 32 1.714 -14.099 27.166 1.00 1.00 C ATOM 514 CE1 TYR A 32 4.218 -15.141 26.384 1.00 1.00 C ATOM 515 CE2 TYR A 32 1.778 -15.167 26.246 1.00 1.00 C ATOM 516 CZ TYR A 32 3.030 -15.689 25.853 1.00 1.00 C ATOM 517 OH TYR A 32 3.096 -16.722 24.962 1.00 1.00 O ATOM 0 H TYR A 32 2.374 -10.826 30.589 1.00 1.00 H new ATOM 0 HA TYR A 32 2.235 -13.714 30.266 1.00 1.00 H new ATOM 0 HB2 TYR A 32 1.929 -11.825 28.513 1.00 1.00 H new ATOM 0 HB3 TYR A 32 3.679 -11.727 28.510 1.00 1.00 H new ATOM 0 HD1 TYR A 32 5.064 -13.656 27.709 1.00 1.00 H new ATOM 0 HD2 TYR A 32 0.755 -13.702 27.465 1.00 1.00 H new ATOM 0 HE1 TYR A 32 5.176 -15.540 26.086 1.00 1.00 H new ATOM 0 HE2 TYR A 32 0.868 -15.586 25.842 1.00 1.00 H new ATOM 0 HH TYR A 32 3.090 -17.573 25.447 1.00 1.00 H new ATOM 527 N ASN A 33 4.438 -14.417 31.184 1.00 1.00 N ATOM 528 CA ASN A 33 5.728 -14.879 31.667 1.00 1.00 C ATOM 529 C ASN A 33 6.358 -15.804 30.624 1.00 1.00 C ATOM 530 O ASN A 33 5.709 -16.789 30.241 1.00 1.00 O ATOM 531 CB ASN A 33 5.578 -15.668 32.969 1.00 1.00 C ATOM 532 CG ASN A 33 6.943 -16.101 33.508 1.00 1.00 C ATOM 533 OD1 ASN A 33 7.934 -16.148 32.797 1.00 1.00 O ATOM 534 ND2 ASN A 33 6.940 -16.414 34.801 1.00 1.00 N ATOM 0 H ASN A 33 3.681 -15.090 31.303 1.00 1.00 H new ATOM 0 HA ASN A 33 6.354 -14.004 31.845 1.00 1.00 H new ATOM 0 HB2 ASN A 33 5.067 -15.056 33.712 1.00 1.00 H new ATOM 0 HB3 ASN A 33 4.956 -16.546 32.797 1.00 1.00 H new ATOM 0 HD21 ASN A 33 7.802 -16.715 35.255 1.00 1.00 H new ATOM 0 HD22 ASN A 33 6.075 -16.353 35.339 1.00 1.00 H new ATOM 541 N ASN A 34 7.588 -15.476 30.191 1.00 1.00 N ATOM 542 CA ASN A 34 8.295 -16.272 29.203 1.00 1.00 C ATOM 543 C ASN A 34 8.605 -17.650 29.791 1.00 1.00 C ATOM 544 O ASN A 34 8.560 -18.635 29.039 1.00 1.00 O ATOM 545 CB ASN A 34 9.621 -15.615 28.813 1.00 1.00 C ATOM 546 CG ASN A 34 10.303 -16.387 27.681 1.00 1.00 C ATOM 547 OD1 ASN A 34 11.011 -17.435 28.091 1.00 1.00 O flip ATOM 548 ND2 ASN A 34 10.194 -16.052 26.513 1.00 1.00 N flip ATOM 0 H ASN A 34 8.105 -14.660 30.518 1.00 1.00 H new ATOM 0 HA ASN A 34 7.660 -16.356 28.321 1.00 1.00 H new ATOM 0 HB2 ASN A 34 9.443 -14.586 28.501 1.00 1.00 H new ATOM 0 HB3 ASN A 34 10.280 -15.576 29.680 1.00 1.00 H new ATOM 0 HD21 ASN A 34 9.634 -15.236 26.267 1.00 1.00 H new ATOM 0 HD22 ASN A 34 10.663 -16.588 25.783 1.00 1.00 H new ATOM 555 N GLN A 35 8.908 -17.692 31.100 1.00 1.00 N ATOM 556 CA GLN A 35 9.222 -18.938 31.779 1.00 1.00 C ATOM 557 C GLN A 35 8.113 -19.955 31.505 1.00 1.00 C ATOM 558 O GLN A 35 8.394 -21.162 31.553 1.00 1.00 O ATOM 559 CB GLN A 35 9.413 -18.726 33.282 1.00 1.00 C ATOM 560 CG GLN A 35 10.639 -19.487 33.791 1.00 1.00 C ATOM 561 CD GLN A 35 10.283 -20.353 35.001 1.00 1.00 C ATOM 562 OE1 GLN A 35 9.634 -21.380 34.893 1.00 1.00 O ATOM 563 NE2 GLN A 35 10.743 -19.882 36.157 1.00 1.00 N ATOM 0 H GLN A 35 8.939 -16.869 31.701 1.00 1.00 H new ATOM 0 HA GLN A 35 10.166 -19.321 31.390 1.00 1.00 H new ATOM 0 HB2 GLN A 35 9.528 -17.662 33.491 1.00 1.00 H new ATOM 0 HB3 GLN A 35 8.524 -19.062 33.816 1.00 1.00 H new ATOM 0 HG2 GLN A 35 11.038 -20.115 32.995 1.00 1.00 H new ATOM 0 HG3 GLN A 35 11.423 -18.780 34.063 1.00 1.00 H new ATOM 0 HE21 GLN A 35 11.280 -19.015 36.177 1.00 1.00 H new ATOM 0 HE22 GLN A 35 10.558 -20.388 37.023 1.00 1.00 H new ATOM 572 N THR A 36 6.894 -19.458 31.228 1.00 1.00 N ATOM 573 CA THR A 36 5.756 -20.319 30.950 1.00 1.00 C ATOM 574 C THR A 36 5.140 -19.923 29.607 1.00 1.00 C ATOM 575 O THR A 36 3.998 -20.327 29.340 1.00 1.00 O ATOM 576 CB THR A 36 4.775 -20.224 32.120 1.00 1.00 C ATOM 577 OG1 THR A 36 4.624 -18.823 32.334 1.00 1.00 O ATOM 578 CG2 THR A 36 5.374 -20.738 33.431 1.00 1.00 C ATOM 0 H THR A 36 6.683 -18.461 31.193 1.00 1.00 H new ATOM 0 HA THR A 36 6.055 -21.363 30.861 1.00 1.00 H new ATOM 0 HB THR A 36 3.875 -20.792 31.885 1.00 1.00 H new ATOM 0 HG1 THR A 36 3.681 -18.618 32.506 1.00 1.00 H new ATOM 0 HG21 THR A 36 4.636 -20.648 34.228 1.00 1.00 H new ATOM 0 HG22 THR A 36 5.658 -21.784 33.316 1.00 1.00 H new ATOM 0 HG23 THR A 36 6.255 -20.149 33.684 1.00 1.00 H new ATOM 586 N LYS A 37 5.894 -19.155 28.801 1.00 1.00 N ATOM 587 CA LYS A 37 5.425 -18.712 27.499 1.00 1.00 C ATOM 588 C LYS A 37 3.904 -18.553 27.537 1.00 1.00 C ATOM 589 O LYS A 37 3.246 -18.941 26.561 1.00 1.00 O ATOM 590 CB LYS A 37 5.917 -19.658 26.402 1.00 1.00 C ATOM 591 CG LYS A 37 7.443 -19.629 26.296 1.00 1.00 C ATOM 592 CD LYS A 37 8.047 -20.973 26.708 1.00 1.00 C ATOM 593 CE LYS A 37 7.594 -22.089 25.764 1.00 1.00 C ATOM 594 NZ LYS A 37 8.713 -22.534 24.917 1.00 1.00 N ATOM 0 H LYS A 37 6.832 -18.833 29.040 1.00 1.00 H new ATOM 0 HA LYS A 37 5.842 -17.735 27.256 1.00 1.00 H new ATOM 0 HB2 LYS A 37 5.583 -20.673 26.616 1.00 1.00 H new ATOM 0 HB3 LYS A 37 5.477 -19.372 25.446 1.00 1.00 H new ATOM 0 HG2 LYS A 37 7.736 -19.393 25.273 1.00 1.00 H new ATOM 0 HG3 LYS A 37 7.840 -18.838 26.932 1.00 1.00 H new ATOM 0 HD2 LYS A 37 9.135 -20.905 26.701 1.00 1.00 H new ATOM 0 HD3 LYS A 37 7.749 -21.212 27.729 1.00 1.00 H new ATOM 0 HE2 LYS A 37 7.211 -22.930 26.343 1.00 1.00 H new ATOM 0 HE3 LYS A 37 6.775 -21.734 25.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 8.388 -23.291 24.283 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 9.060 -21.733 24.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 9.482 -22.892 25.518 1.00 1.00 H new ATOM 608 N GLN A 38 3.384 -17.995 28.645 1.00 1.00 N ATOM 609 CA GLN A 38 1.955 -17.788 28.806 1.00 1.00 C ATOM 610 C GLN A 38 1.717 -16.617 29.761 1.00 1.00 C ATOM 611 O GLN A 38 2.601 -15.754 29.867 1.00 1.00 O ATOM 612 CB GLN A 38 1.257 -19.054 29.306 1.00 1.00 C ATOM 613 CG GLN A 38 1.624 -19.344 30.762 1.00 1.00 C ATOM 614 CD GLN A 38 0.389 -19.750 31.569 1.00 1.00 C ATOM 615 OE1 GLN A 38 -0.483 -20.488 30.888 1.00 1.00 O flip ATOM 616 NE2 GLN A 38 0.238 -19.415 32.732 1.00 1.00 N flip ATOM 0 H GLN A 38 3.944 -17.682 29.438 1.00 1.00 H new ATOM 0 HA GLN A 38 1.525 -17.551 27.833 1.00 1.00 H new ATOM 0 HB2 GLN A 38 0.177 -18.938 29.216 1.00 1.00 H new ATOM 0 HB3 GLN A 38 1.540 -19.901 28.680 1.00 1.00 H new ATOM 0 HG2 GLN A 38 2.367 -20.141 30.802 1.00 1.00 H new ATOM 0 HG3 GLN A 38 2.080 -18.461 31.209 1.00 1.00 H new ATOM 0 HE21 GLN A 38 0.947 -18.847 33.195 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -0.598 -19.703 33.241 1.00 1.00 H new ATOM 625 N CYS A 39 0.549 -16.611 30.427 1.00 1.00 N ATOM 626 CA CYS A 39 0.202 -15.556 31.364 1.00 1.00 C ATOM 627 C CYS A 39 0.182 -16.126 32.784 1.00 1.00 C ATOM 628 O CYS A 39 -0.463 -17.164 32.993 1.00 1.00 O ATOM 629 CB CYS A 39 -1.131 -14.904 30.992 1.00 1.00 C ATOM 630 SG CYS A 39 -1.098 -13.920 29.465 1.00 1.00 S ATOM 0 H CYS A 39 -0.165 -17.332 30.325 1.00 1.00 H new ATOM 0 HA CYS A 39 0.956 -14.770 31.317 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -1.885 -15.685 30.888 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -1.448 -14.262 31.814 1.00 1.00 H new ATOM 0 HG CYS A 39 -0.758 -12.697 29.744 1.00 1.00 H new ATOM 636 N GLU A 40 0.877 -15.449 33.715 1.00 1.00 N ATOM 637 CA GLU A 40 0.937 -15.885 35.099 1.00 1.00 C ATOM 638 C GLU A 40 0.238 -14.853 35.986 1.00 1.00 C ATOM 639 O GLU A 40 0.400 -13.651 35.731 1.00 1.00 O ATOM 640 CB GLU A 40 2.380 -16.112 35.555 1.00 1.00 C ATOM 641 CG GLU A 40 3.150 -16.955 34.537 1.00 1.00 C ATOM 642 CD GLU A 40 2.893 -18.448 34.755 1.00 1.00 C ATOM 643 OE1 GLU A 40 3.152 -18.968 35.850 1.00 1.00 O ATOM 644 OE2 GLU A 40 2.403 -19.071 33.737 1.00 1.00 O ATOM 0 H GLU A 40 1.403 -14.597 33.521 1.00 1.00 H new ATOM 0 HA GLU A 40 0.422 -16.842 35.186 1.00 1.00 H new ATOM 0 HB2 GLU A 40 2.878 -15.152 35.689 1.00 1.00 H new ATOM 0 HB3 GLU A 40 2.385 -16.611 36.524 1.00 1.00 H new ATOM 0 HG2 GLU A 40 2.851 -16.675 33.527 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.217 -16.750 34.622 1.00 1.00 H new ATOM 651 N ARG A 41 -0.512 -15.334 36.994 1.00 1.00 N ATOM 652 CA ARG A 41 -1.227 -14.459 37.907 1.00 1.00 C ATOM 653 C ARG A 41 -0.229 -13.802 38.863 1.00 1.00 C ATOM 654 O ARG A 41 0.428 -14.530 39.621 1.00 1.00 O ATOM 655 CB ARG A 41 -2.272 -15.226 38.720 1.00 1.00 C ATOM 656 CG ARG A 41 -3.686 -14.744 38.389 1.00 1.00 C ATOM 657 CD ARG A 41 -4.645 -15.925 38.231 1.00 1.00 C ATOM 658 NE ARG A 41 -4.104 -16.888 37.245 1.00 1.00 N ATOM 659 CZ ARG A 41 -4.690 -18.064 36.935 1.00 1.00 C ATOM 660 NH1 ARG A 41 -5.833 -18.401 37.547 1.00 1.00 N ATOM 661 NH2 ARG A 41 -4.136 -18.882 36.030 1.00 1.00 N ATOM 0 H ARG A 41 -0.631 -16.328 37.187 1.00 1.00 H new ATOM 0 HA ARG A 41 -1.744 -13.703 37.316 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -2.189 -16.293 38.511 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -2.079 -15.094 39.785 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -4.043 -14.084 39.179 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -3.669 -14.159 37.469 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -4.789 -16.418 39.192 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -5.623 -15.569 37.906 1.00 1.00 H new ATOM 0 HE ARG A 41 -3.234 -16.648 36.770 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -6.247 -17.773 38.235 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -6.289 -19.286 37.325 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -3.265 -18.618 35.570 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -4.585 -19.769 35.802 1.00 1.00 H new ATOM 675 N PHE A 42 -0.138 -12.461 38.810 1.00 1.00 N ATOM 676 CA PHE A 42 0.771 -11.717 39.665 1.00 1.00 C ATOM 677 C PHE A 42 0.065 -10.462 40.182 1.00 1.00 C ATOM 678 O PHE A 42 -0.780 -9.918 39.455 1.00 1.00 O ATOM 679 CB PHE A 42 2.032 -11.343 38.861 1.00 1.00 C ATOM 680 CG PHE A 42 1.946 -10.011 38.127 1.00 1.00 C ATOM 681 CD1 PHE A 42 0.940 -9.802 37.155 1.00 1.00 C ATOM 682 CD2 PHE A 42 2.863 -8.974 38.417 1.00 1.00 C ATOM 683 CE1 PHE A 42 0.855 -8.567 36.477 1.00 1.00 C ATOM 684 CE2 PHE A 42 2.777 -7.740 37.738 1.00 1.00 C ATOM 685 CZ PHE A 42 1.774 -7.537 36.768 1.00 1.00 C ATOM 0 H PHE A 42 -0.689 -11.880 38.179 1.00 1.00 H new ATOM 0 HA PHE A 42 1.069 -12.326 40.519 1.00 1.00 H new ATOM 0 HB2 PHE A 42 2.884 -11.314 39.540 1.00 1.00 H new ATOM 0 HB3 PHE A 42 2.230 -12.131 38.134 1.00 1.00 H new ATOM 0 HD1 PHE A 42 0.235 -10.589 36.931 1.00 1.00 H new ATOM 0 HD2 PHE A 42 3.631 -9.127 39.160 1.00 1.00 H new ATOM 0 HE1 PHE A 42 0.086 -8.410 35.735 1.00 1.00 H new ATOM 0 HE2 PHE A 42 3.480 -6.951 37.961 1.00 1.00 H new ATOM 0 HZ PHE A 42 1.709 -6.593 36.248 1.00 1.00 H new ATOM 695 N LYS A 43 0.418 -10.034 41.407 1.00 1.00 N ATOM 696 CA LYS A 43 -0.177 -8.855 42.013 1.00 1.00 C ATOM 697 C LYS A 43 0.448 -7.601 41.400 1.00 1.00 C ATOM 698 O LYS A 43 1.675 -7.579 41.225 1.00 1.00 O ATOM 699 CB LYS A 43 -0.060 -8.919 43.537 1.00 1.00 C ATOM 700 CG LYS A 43 1.234 -9.618 43.958 1.00 1.00 C ATOM 701 CD LYS A 43 0.993 -11.105 44.224 1.00 1.00 C ATOM 702 CE LYS A 43 2.317 -11.867 44.319 1.00 1.00 C ATOM 703 NZ LYS A 43 2.140 -13.263 43.889 1.00 1.00 N ATOM 0 H LYS A 43 1.116 -10.497 41.989 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.245 -8.815 41.800 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -0.084 -7.911 43.950 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.917 -9.452 43.949 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.985 -9.502 43.177 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.632 -9.144 44.855 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.432 -11.226 45.151 1.00 1.00 H new ATOM 0 HD3 LYS A 43 0.383 -11.527 43.425 1.00 1.00 H new ATOM 0 HE2 LYS A 43 3.069 -11.381 43.697 1.00 1.00 H new ATOM 0 HE3 LYS A 43 2.686 -11.840 45.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 3.048 -13.766 43.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.438 -13.728 44.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.809 -13.283 42.903 1.00 1.00 H new ATOM 717 N TYR A 44 -0.393 -6.598 41.091 1.00 1.00 N ATOM 718 CA TYR A 44 0.138 -5.380 40.501 1.00 1.00 C ATOM 719 C TYR A 44 0.108 -4.260 41.542 1.00 1.00 C ATOM 720 O TYR A 44 -0.955 -3.642 41.703 1.00 1.00 O ATOM 721 CB TYR A 44 -0.669 -5.015 39.242 1.00 1.00 C ATOM 722 CG TYR A 44 -0.393 -3.621 38.697 1.00 1.00 C ATOM 723 CD1 TYR A 44 0.881 -3.033 38.872 1.00 1.00 C ATOM 724 CD2 TYR A 44 -1.402 -2.908 38.009 1.00 1.00 C ATOM 725 CE1 TYR A 44 1.143 -1.742 38.366 1.00 1.00 C ATOM 726 CE2 TYR A 44 -1.140 -1.618 37.503 1.00 1.00 C ATOM 727 CZ TYR A 44 0.133 -1.033 37.682 1.00 1.00 C ATOM 728 OH TYR A 44 0.390 0.217 37.194 1.00 1.00 O ATOM 0 H TYR A 44 -1.402 -6.612 41.237 1.00 1.00 H new ATOM 0 HA TYR A 44 1.173 -5.530 40.195 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -0.452 -5.745 38.463 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -1.732 -5.098 39.470 1.00 1.00 H new ATOM 0 HD1 TYR A 44 1.656 -3.574 39.395 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -2.376 -3.353 37.871 1.00 1.00 H new ATOM 0 HE1 TYR A 44 2.117 -1.296 38.502 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -1.913 -1.077 36.978 1.00 1.00 H new ATOM 0 HH TYR A 44 -0.411 0.566 36.749 1.00 1.00 H new ATOM 789 N ASN A 50 4.918 -0.753 34.918 1.00 1.00 N ATOM 790 CA ASN A 50 4.991 -0.546 33.482 1.00 1.00 C ATOM 791 C ASN A 50 3.839 -1.291 32.804 1.00 1.00 C ATOM 792 O ASN A 50 3.026 -1.896 33.519 1.00 1.00 O ATOM 793 CB ASN A 50 6.304 -1.088 32.913 1.00 1.00 C ATOM 794 CG ASN A 50 6.753 -2.341 33.668 1.00 1.00 C ATOM 795 OD1 ASN A 50 7.368 -2.277 34.720 1.00 1.00 O ATOM 796 ND2 ASN A 50 6.411 -3.481 33.075 1.00 1.00 N ATOM 0 HA ASN A 50 4.931 0.526 33.293 1.00 1.00 H new ATOM 0 HB2 ASN A 50 6.177 -1.322 31.856 1.00 1.00 H new ATOM 0 HB3 ASN A 50 7.077 -0.322 32.980 1.00 1.00 H new ATOM 0 HD21 ASN A 50 6.664 -4.373 33.500 1.00 1.00 H new ATOM 0 HD22 ASN A 50 5.896 -3.463 32.195 1.00 1.00 H new ATOM 803 N MET A 51 3.793 -1.235 31.461 1.00 1.00 N ATOM 804 CA MET A 51 2.750 -1.899 30.698 1.00 1.00 C ATOM 805 C MET A 51 2.465 -3.269 31.317 1.00 1.00 C ATOM 806 O MET A 51 1.422 -3.415 31.971 1.00 1.00 O ATOM 807 CB MET A 51 3.188 -2.077 29.243 1.00 1.00 C ATOM 808 CG MET A 51 2.831 -0.846 28.409 1.00 1.00 C ATOM 809 SD MET A 51 1.028 -0.627 28.361 1.00 1.00 S ATOM 810 CE MET A 51 0.665 -1.349 26.734 1.00 1.00 C ATOM 0 H MET A 51 4.473 -0.732 30.891 1.00 1.00 H new ATOM 0 HA MET A 51 1.848 -1.287 30.722 1.00 1.00 H new ATOM 0 HB2 MET A 51 4.264 -2.249 29.202 1.00 1.00 H new ATOM 0 HB3 MET A 51 2.707 -2.959 28.820 1.00 1.00 H new ATOM 0 HG2 MET A 51 3.302 0.040 28.834 1.00 1.00 H new ATOM 0 HG3 MET A 51 3.219 -0.958 27.396 1.00 1.00 H new ATOM 0 HE1 MET A 51 -0.388 -1.200 26.497 1.00 1.00 H new ATOM 0 HE2 MET A 51 1.280 -0.864 25.976 1.00 1.00 H new ATOM 0 HE3 MET A 51 0.886 -2.416 26.752 1.00 1.00 H new ATOM 820 N ASN A 52 3.382 -4.229 31.104 1.00 1.00 N ATOM 821 CA ASN A 52 3.230 -5.572 31.637 1.00 1.00 C ATOM 822 C ASN A 52 2.394 -5.516 32.917 1.00 1.00 C ATOM 823 O ASN A 52 2.964 -5.234 33.982 1.00 1.00 O ATOM 824 CB ASN A 52 4.589 -6.183 31.986 1.00 1.00 C ATOM 825 CG ASN A 52 4.421 -7.558 32.637 1.00 1.00 C ATOM 826 OD1 ASN A 52 4.002 -7.687 33.775 1.00 1.00 O ATOM 827 ND2 ASN A 52 4.769 -8.574 31.853 1.00 1.00 N ATOM 0 H ASN A 52 4.235 -4.088 30.563 1.00 1.00 H new ATOM 0 HA ASN A 52 2.744 -6.184 30.877 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.193 -6.275 31.083 1.00 1.00 H new ATOM 0 HB3 ASN A 52 5.127 -5.519 32.663 1.00 1.00 H new ATOM 0 HD21 ASN A 52 4.692 -9.532 32.195 1.00 1.00 H new ATOM 0 HD22 ASN A 52 5.113 -8.396 30.909 1.00 1.00 H new ATOM 834 N ASN A 53 1.082 -5.782 32.791 1.00 1.00 N ATOM 835 CA ASN A 53 0.179 -5.762 33.930 1.00 1.00 C ATOM 836 C ASN A 53 -1.266 -5.802 33.431 1.00 1.00 C ATOM 837 O ASN A 53 -1.830 -4.729 33.171 1.00 1.00 O ATOM 838 CB ASN A 53 0.360 -4.485 34.754 1.00 1.00 C ATOM 839 CG ASN A 53 -0.906 -4.162 35.549 1.00 1.00 C ATOM 840 OD1 ASN A 53 -1.345 -4.918 36.401 1.00 1.00 O ATOM 841 ND2 ASN A 53 -1.467 -3.001 35.225 1.00 1.00 N ATOM 0 H ASN A 53 0.633 -6.013 31.905 1.00 1.00 H new ATOM 0 HA ASN A 53 0.403 -6.628 34.553 1.00 1.00 H new ATOM 0 HB2 ASN A 53 1.202 -4.604 35.436 1.00 1.00 H new ATOM 0 HB3 ASN A 53 0.601 -3.652 34.093 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -2.317 -2.695 35.699 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -1.048 -2.416 34.502 1.00 1.00 H new ATOM 848 N PHE A 54 -1.828 -7.018 33.308 1.00 1.00 N ATOM 849 CA PHE A 54 -3.194 -7.192 32.845 1.00 1.00 C ATOM 850 C PHE A 54 -4.101 -7.484 34.042 1.00 1.00 C ATOM 851 O PHE A 54 -3.573 -7.694 35.144 1.00 1.00 O ATOM 852 CB PHE A 54 -3.241 -8.349 31.827 1.00 1.00 C ATOM 853 CG PHE A 54 -2.285 -8.199 30.651 1.00 1.00 C ATOM 854 CD1 PHE A 54 -2.687 -7.487 29.498 1.00 1.00 C ATOM 855 CD2 PHE A 54 -0.990 -8.765 30.706 1.00 1.00 C ATOM 856 CE1 PHE A 54 -1.802 -7.343 28.408 1.00 1.00 C ATOM 857 CE2 PHE A 54 -0.105 -8.620 29.616 1.00 1.00 C ATOM 858 CZ PHE A 54 -0.512 -7.910 28.466 1.00 1.00 C ATOM 0 H PHE A 54 -1.346 -7.890 33.526 1.00 1.00 H new ATOM 0 HA PHE A 54 -3.545 -6.283 32.357 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -3.015 -9.281 32.345 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -4.257 -8.436 31.443 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -3.674 -7.052 29.451 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -0.677 -9.310 31.585 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -2.113 -6.798 27.529 1.00 1.00 H new ATOM 0 HE2 PHE A 54 0.884 -9.052 29.662 1.00 1.00 H new ATOM 0 HZ PHE A 54 0.164 -7.801 27.631 1.00 1.00 H new ATOM 868 N GLU A 55 -5.425 -7.492 33.806 1.00 1.00 N ATOM 869 CA GLU A 55 -6.392 -7.757 34.857 1.00 1.00 C ATOM 870 C GLU A 55 -6.893 -9.197 34.733 1.00 1.00 C ATOM 871 O GLU A 55 -7.025 -9.867 35.768 1.00 1.00 O ATOM 872 CB GLU A 55 -7.557 -6.765 34.812 1.00 1.00 C ATOM 873 CG GLU A 55 -7.057 -5.326 34.951 1.00 1.00 C ATOM 874 CD GLU A 55 -8.150 -4.419 35.521 1.00 1.00 C ATOM 875 OE1 GLU A 55 -9.344 -4.722 35.378 1.00 1.00 O ATOM 876 OE2 GLU A 55 -7.722 -3.367 36.132 1.00 1.00 O ATOM 0 H GLU A 55 -5.839 -7.316 32.890 1.00 1.00 H new ATOM 0 HA GLU A 55 -5.903 -7.629 35.822 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -8.098 -6.877 33.873 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -8.261 -6.988 35.614 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -6.183 -5.302 35.602 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -6.740 -4.952 33.978 1.00 1.00 H new ATOM 883 N THR A 56 -7.159 -9.637 33.490 1.00 1.00 N ATOM 884 CA THR A 56 -7.640 -10.985 33.237 1.00 1.00 C ATOM 885 C THR A 56 -6.635 -11.723 32.351 1.00 1.00 C ATOM 886 O THR A 56 -6.026 -11.076 31.485 1.00 1.00 O ATOM 887 CB THR A 56 -9.040 -10.896 32.625 1.00 1.00 C ATOM 888 OG1 THR A 56 -8.976 -9.752 31.777 1.00 1.00 O ATOM 889 CG2 THR A 56 -10.109 -10.536 33.658 1.00 1.00 C ATOM 0 H THR A 56 -7.045 -9.069 32.651 1.00 1.00 H new ATOM 0 HA THR A 56 -7.724 -11.561 34.159 1.00 1.00 H new ATOM 0 HB THR A 56 -9.293 -11.848 32.158 1.00 1.00 H new ATOM 0 HG1 THR A 56 -9.842 -9.621 31.338 1.00 1.00 H new ATOM 0 HG21 THR A 56 -11.083 -10.486 33.171 1.00 1.00 H new ATOM 0 HG22 THR A 56 -10.132 -11.297 34.438 1.00 1.00 H new ATOM 0 HG23 THR A 56 -9.875 -9.568 34.102 1.00 1.00 H new ATOM 897 N LEU A 57 -6.483 -13.039 32.580 1.00 1.00 N ATOM 898 CA LEU A 57 -5.560 -13.854 31.808 1.00 1.00 C ATOM 899 C LEU A 57 -5.872 -13.697 30.318 1.00 1.00 C ATOM 900 O LEU A 57 -4.932 -13.489 29.537 1.00 1.00 O ATOM 901 CB LEU A 57 -5.591 -15.304 32.293 1.00 1.00 C ATOM 902 CG LEU A 57 -4.455 -16.202 31.799 1.00 1.00 C ATOM 903 CD1 LEU A 57 -3.267 -16.163 32.763 1.00 1.00 C ATOM 904 CD2 LEU A 57 -4.949 -17.629 31.555 1.00 1.00 C ATOM 0 H LEU A 57 -6.994 -13.552 33.298 1.00 1.00 H new ATOM 0 HA LEU A 57 -4.535 -13.514 31.957 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -5.578 -15.302 33.383 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -6.538 -15.748 31.987 1.00 1.00 H new ATOM 0 HG LEU A 57 -4.106 -15.815 30.842 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -2.473 -16.810 32.389 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.896 -15.141 32.842 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.585 -16.510 33.746 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.121 -18.246 31.205 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.341 -18.042 32.484 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.737 -17.617 30.802 1.00 1.00 H new ATOM 916 N GLU A 58 -7.164 -13.798 29.959 1.00 1.00 N ATOM 917 CA GLU A 58 -7.592 -13.669 28.577 1.00 1.00 C ATOM 918 C GLU A 58 -7.093 -12.335 28.016 1.00 1.00 C ATOM 919 O GLU A 58 -6.720 -12.295 26.834 1.00 1.00 O ATOM 920 CB GLU A 58 -9.112 -13.784 28.446 1.00 1.00 C ATOM 921 CG GLU A 58 -9.496 -14.571 27.190 1.00 1.00 C ATOM 922 CD GLU A 58 -11.016 -14.663 27.045 1.00 1.00 C ATOM 923 OE1 GLU A 58 -11.600 -13.560 26.719 1.00 1.00 O ATOM 924 OE2 GLU A 58 -11.594 -15.743 27.238 1.00 1.00 O ATOM 0 H GLU A 58 -7.923 -13.969 30.618 1.00 1.00 H new ATOM 0 HA GLU A 58 -7.161 -14.487 28.000 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.520 -14.278 29.328 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -9.554 -12.788 28.405 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -9.072 -14.088 26.310 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -9.070 -15.573 27.240 1.00 1.00 H new ATOM 931 N GLU A 59 -7.097 -11.288 28.860 1.00 1.00 N ATOM 932 CA GLU A 59 -6.648 -9.968 28.451 1.00 1.00 C ATOM 933 C GLU A 59 -5.142 -10.007 28.182 1.00 1.00 C ATOM 934 O GLU A 59 -4.712 -9.459 27.156 1.00 1.00 O ATOM 935 CB GLU A 59 -6.990 -8.908 29.499 1.00 1.00 C ATOM 936 CG GLU A 59 -6.264 -7.593 29.207 1.00 1.00 C ATOM 937 CD GLU A 59 -7.252 -6.427 29.132 1.00 1.00 C ATOM 938 OE1 GLU A 59 -8.298 -6.549 29.877 1.00 1.00 O ATOM 939 OE2 GLU A 59 -7.015 -5.461 28.391 1.00 1.00 O ATOM 0 H GLU A 59 -7.409 -11.342 29.830 1.00 1.00 H new ATOM 0 HA GLU A 59 -7.170 -9.689 27.536 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -8.067 -8.738 29.511 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -6.713 -9.268 30.490 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -5.526 -7.400 29.986 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -5.720 -7.675 28.266 1.00 1.00 H new ATOM 946 N CYS A 60 -4.384 -10.643 29.092 1.00 1.00 N ATOM 947 CA CYS A 60 -2.941 -10.750 28.953 1.00 1.00 C ATOM 948 C CYS A 60 -2.614 -11.622 27.739 1.00 1.00 C ATOM 949 O CYS A 60 -1.542 -11.429 27.146 1.00 1.00 O ATOM 950 CB CYS A 60 -2.302 -11.292 30.234 1.00 1.00 C ATOM 951 SG CYS A 60 -0.507 -11.555 30.137 1.00 1.00 S ATOM 0 H CYS A 60 -4.758 -11.088 29.930 1.00 1.00 H new ATOM 0 HA CYS A 60 -2.519 -9.758 28.791 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -2.510 -10.598 31.049 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -2.780 -12.237 30.490 1.00 1.00 H new ATOM 0 HG CYS A 60 -0.267 -12.724 29.622 1.00 1.00 H new ATOM 957 N LYS A 61 -3.527 -12.549 27.399 1.00 1.00 N ATOM 958 CA LYS A 61 -3.336 -13.439 26.267 1.00 1.00 C ATOM 959 C LYS A 61 -3.699 -12.702 24.976 1.00 1.00 C ATOM 960 O LYS A 61 -2.919 -12.776 24.016 1.00 1.00 O ATOM 961 CB LYS A 61 -4.115 -14.740 26.472 1.00 1.00 C ATOM 962 CG LYS A 61 -3.579 -15.517 27.675 1.00 1.00 C ATOM 963 CD LYS A 61 -3.330 -16.983 27.315 1.00 1.00 C ATOM 964 CE LYS A 61 -1.946 -17.436 27.785 1.00 1.00 C ATOM 965 NZ LYS A 61 -1.548 -18.674 27.097 1.00 1.00 N ATOM 0 H LYS A 61 -4.403 -12.692 27.901 1.00 1.00 H new ATOM 0 HA LYS A 61 -2.289 -13.730 26.184 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.171 -14.516 26.621 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.043 -15.356 25.576 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -2.652 -15.062 28.022 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -4.291 -15.457 28.498 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -4.096 -17.609 27.773 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.413 -17.115 26.236 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.214 -16.652 27.589 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -1.957 -17.599 28.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -1.390 -19.426 27.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.301 -18.965 26.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -0.671 -18.508 26.564 1.00 1.00 H new ATOM 979 N ASN A 62 -4.857 -12.017 24.979 1.00 1.00 N ATOM 980 CA ASN A 62 -5.315 -11.275 23.817 1.00 1.00 C ATOM 981 C ASN A 62 -4.210 -10.322 23.357 1.00 1.00 C ATOM 982 O ASN A 62 -3.858 -10.357 22.169 1.00 1.00 O ATOM 983 CB ASN A 62 -6.552 -10.438 24.151 1.00 1.00 C ATOM 984 CG ASN A 62 -7.670 -10.683 23.135 1.00 1.00 C ATOM 985 OD1 ASN A 62 -7.575 -11.529 22.261 1.00 1.00 O ATOM 986 ND2 ASN A 62 -8.730 -9.897 23.298 1.00 1.00 N ATOM 0 H ASN A 62 -5.486 -11.969 25.781 1.00 1.00 H new ATOM 0 HA ASN A 62 -5.565 -11.993 23.036 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -6.904 -10.687 25.152 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -6.289 -9.380 24.159 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -9.529 -9.982 22.670 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -8.744 -9.209 24.051 1.00 1.00 H new ATOM 993 N ILE A 63 -3.693 -9.504 24.291 1.00 1.00 N ATOM 994 CA ILE A 63 -2.639 -8.552 23.983 1.00 1.00 C ATOM 995 C ILE A 63 -1.347 -9.312 23.672 1.00 1.00 C ATOM 996 O ILE A 63 -0.759 -9.065 22.609 1.00 1.00 O ATOM 997 CB ILE A 63 -2.494 -7.529 25.111 1.00 1.00 C ATOM 998 CG1 ILE A 63 -3.427 -6.336 24.892 1.00 1.00 C ATOM 999 CG2 ILE A 63 -1.036 -7.094 25.273 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -3.602 -5.533 26.183 1.00 1.00 C ATOM 0 H ILE A 63 -3.997 -9.492 25.265 1.00 1.00 H new ATOM 0 HA ILE A 63 -2.894 -7.976 23.093 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.793 -8.005 26.045 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -3.023 -5.692 24.111 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -4.398 -6.688 24.544 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -0.961 -6.367 26.081 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -0.421 -7.963 25.508 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -0.686 -6.642 24.345 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.269 -4.691 26.000 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.029 -6.173 26.955 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.632 -5.162 26.515 1.00 1.00 H new ATOM 1012 N CYS A 64 -0.939 -10.206 24.590 1.00 1.00 N ATOM 1013 CA CYS A 64 0.271 -10.992 24.414 1.00 1.00 C ATOM 1014 C CYS A 64 -0.013 -12.149 23.454 1.00 1.00 C ATOM 1015 O CYS A 64 0.228 -11.987 22.249 1.00 1.00 O ATOM 1016 CB CYS A 64 0.808 -11.485 25.759 1.00 1.00 C ATOM 1017 SG CYS A 64 0.932 -10.208 27.045 1.00 1.00 S ATOM 0 H CYS A 64 -1.438 -10.394 25.459 1.00 1.00 H new ATOM 0 HA CYS A 64 1.049 -10.365 23.979 1.00 1.00 H new ATOM 0 HB2 CYS A 64 0.161 -12.284 26.122 1.00 1.00 H new ATOM 0 HB3 CYS A 64 1.795 -11.920 25.603 1.00 1.00 H new ATOM 0 HG CYS A 64 1.639 -9.212 26.600 1.00 1.00 H new ATOM 1023 N GLU A 65 -0.511 -13.274 23.997 1.00 1.00 N ATOM 1024 CA GLU A 65 -0.823 -14.444 23.193 1.00 1.00 C ATOM 1025 C GLU A 65 -1.323 -13.995 21.819 1.00 1.00 C ATOM 1026 O GLU A 65 -1.042 -14.691 20.833 1.00 1.00 O ATOM 1027 CB GLU A 65 -1.852 -15.342 23.884 1.00 1.00 C ATOM 1028 CG GLU A 65 -1.180 -16.570 24.501 1.00 1.00 C ATOM 1029 CD GLU A 65 -1.660 -17.855 23.824 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -2.860 -18.001 23.551 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -0.735 -18.721 23.580 1.00 1.00 O ATOM 0 H GLU A 65 -0.702 -13.387 24.993 1.00 1.00 H new ATOM 0 HA GLU A 65 0.084 -15.036 23.070 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.370 -14.778 24.660 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.606 -15.659 23.163 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -0.098 -16.485 24.402 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -1.400 -16.612 25.568 1.00 1.00 H new ATOM 1038 N ASP A 66 -2.042 -12.858 21.781 1.00 1.00 N ATOM 1039 CA ASP A 66 -2.573 -12.325 20.538 1.00 1.00 C ATOM 1040 C ASP A 66 -4.033 -12.757 20.386 1.00 1.00 C ATOM 1041 O ASP A 66 -4.464 -13.651 21.128 1.00 1.00 O ATOM 1042 CB ASP A 66 -1.795 -12.855 19.333 1.00 1.00 C ATOM 1043 CG ASP A 66 -2.301 -14.185 18.770 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -3.006 -14.890 19.588 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -2.036 -14.529 17.608 1.00 1.00 O ATOM 0 H ASP A 66 -2.262 -12.299 22.605 1.00 1.00 H new ATOM 0 HA ASP A 66 -2.486 -11.239 20.573 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -1.827 -12.107 18.541 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -0.749 -12.973 19.618 1.00 1.00 H new