USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 384 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 38 GLN : amide:sc= 0.388 K(o=1.2,f=-4.5) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.817 K(o=1.2,f=-4.5!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 169:sc= 2.34 (180deg=1.01) USER MOD Set 2.2: A 56 GLN : amide:sc= 0.75 K(o=3.1,f=-12!) USER MOD Set 3.1: A 16 CYS SG : rot -91:sc= 1.93 USER MOD Set 3.2: A 19 CYS SG : rot -65:sc= 0.531 USER MOD Set 3.3: A 49 CYS SG : rot -49:sc= 0.869 USER MOD Set 3.4: A 52 CYS SG : rot 160:sc= 0.603 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.636 X(o=1.5,f=1.2) USER MOD Set 4.2: A 30 SER OG : rot 180:sc= 0.852 USER MOD Single : A 10 HIS : no HE2:sc= -0.467 K(o=-0.47,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.2 (180deg=1.06) USER MOD Single : A 14 CYS SG : rot 177:sc= -0.794 USER MOD Single : A 17 CYS SG : rot -36:sc= 0.0314 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.288 USER MOD Single : A 36 THR OG1 : rot 161:sc= 1.01 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -4:sc= 0.987 USER MOD Single : A 46 SER OG : rot 2:sc= 1.19 USER MOD Single : A 54 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 55 ASN : amide:sc= 0.853 K(o=0.85,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 8.790 -3.279 -2.898 1.00 0.00 N ATOM 93 CA GLN A 8 8.387 -3.143 -1.512 1.00 0.00 C ATOM 94 C GLN A 8 7.396 -1.978 -1.399 1.00 0.00 C ATOM 95 O GLN A 8 6.201 -2.222 -1.262 1.00 0.00 O ATOM 96 CB GLN A 8 9.654 -3.008 -0.637 1.00 0.00 C ATOM 97 CG GLN A 8 9.461 -3.579 0.771 1.00 0.00 C ATOM 98 CD GLN A 8 9.342 -5.103 0.744 1.00 0.00 C ATOM 99 OE1 GLN A 8 10.281 -5.808 0.398 1.00 0.00 O ATOM 100 NE2 GLN A 8 8.178 -5.632 1.089 1.00 0.00 N ATOM 0 HA GLN A 8 7.860 -4.023 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.483 -3.522 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.930 -1.956 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.302 -3.289 1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.565 -3.151 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.408 -5.027 1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.052 -6.644 1.069 1.00 0.00 H new ATOM 109 N ARG A 9 7.869 -0.722 -1.445 1.00 0.00 N ATOM 110 CA ARG A 9 7.050 0.490 -1.413 1.00 0.00 C ATOM 111 C ARG A 9 6.035 0.512 -2.557 1.00 0.00 C ATOM 112 O ARG A 9 6.387 0.820 -3.694 1.00 0.00 O ATOM 113 CB ARG A 9 7.934 1.755 -1.383 1.00 0.00 C ATOM 114 CG ARG A 9 7.395 2.810 -0.422 1.00 0.00 C ATOM 115 CD ARG A 9 7.382 4.246 -0.926 1.00 0.00 C ATOM 116 NE ARG A 9 7.044 5.124 0.202 1.00 0.00 N ATOM 117 CZ ARG A 9 6.674 6.407 0.140 1.00 0.00 C ATOM 118 NH1 ARG A 9 6.606 7.044 -1.032 1.00 0.00 N ATOM 119 NH2 ARG A 9 6.369 7.052 1.266 1.00 0.00 N ATOM 0 H ARG A 9 8.867 -0.521 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 9 6.472 0.483 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.947 1.482 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.996 2.177 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.376 2.535 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.989 2.775 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.355 4.513 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.654 4.361 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 9 7.097 4.710 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.838 6.551 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.322 8.023 -1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.419 6.566 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.085 8.031 1.232 1.00 0.00 H new ATOM 133 N HIS A 10 4.780 0.184 -2.253 1.00 0.00 N ATOM 134 CA HIS A 10 3.695 0.021 -3.213 1.00 0.00 C ATOM 135 C HIS A 10 2.517 0.901 -2.792 1.00 0.00 C ATOM 136 O HIS A 10 2.334 1.178 -1.608 1.00 0.00 O ATOM 137 CB HIS A 10 3.292 -1.463 -3.293 1.00 0.00 C ATOM 138 CG HIS A 10 4.357 -2.407 -3.818 1.00 0.00 C ATOM 139 ND1 HIS A 10 4.499 -3.734 -3.488 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.410 -2.098 -4.634 1.00 0.00 C ATOM 141 CE1 HIS A 10 5.608 -4.200 -4.082 1.00 0.00 C ATOM 142 NE2 HIS A 10 6.186 -3.244 -4.823 1.00 0.00 N ATOM 0 H HIS A 10 4.482 0.018 -1.292 1.00 0.00 H new ATOM 0 HA HIS A 10 4.019 0.332 -4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.998 -1.795 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.412 -1.547 -3.930 1.00 0.00 H new ATOM 0 HD1 HIS A 10 3.869 -4.272 -2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.609 -1.127 -5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.984 -5.207 -3.978 1.00 0.00 H new ATOM 150 N LYS A 11 1.700 1.339 -3.758 1.00 0.00 N ATOM 151 CA LYS A 11 0.581 2.246 -3.512 1.00 0.00 C ATOM 152 C LYS A 11 -0.690 1.620 -4.063 1.00 0.00 C ATOM 153 O LYS A 11 -0.954 1.686 -5.262 1.00 0.00 O ATOM 154 CB LYS A 11 0.854 3.645 -4.083 1.00 0.00 C ATOM 155 CG LYS A 11 2.134 4.268 -3.499 1.00 0.00 C ATOM 156 CD LYS A 11 2.178 5.787 -3.685 1.00 0.00 C ATOM 157 CE LYS A 11 2.206 6.194 -5.164 1.00 0.00 C ATOM 158 NZ LYS A 11 1.763 7.592 -5.338 1.00 0.00 N ATOM 0 H LYS A 11 1.801 1.070 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 11 0.453 2.390 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.944 3.582 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.005 4.295 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.198 4.032 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.005 3.820 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.308 6.235 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.060 6.186 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.216 6.077 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.561 5.530 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.071 7.940 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.726 7.638 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.180 8.184 -4.591 1.00 0.00 H new ATOM 172 N ILE A 12 -1.441 0.960 -3.184 1.00 0.00 N ATOM 173 CA ILE A 12 -2.595 0.158 -3.554 1.00 0.00 C ATOM 174 C ILE A 12 -3.829 1.024 -3.348 1.00 0.00 C ATOM 175 O ILE A 12 -4.323 1.161 -2.236 1.00 0.00 O ATOM 176 CB ILE A 12 -2.651 -1.137 -2.723 1.00 0.00 C ATOM 177 CG1 ILE A 12 -1.364 -1.975 -2.845 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.890 -1.961 -3.133 1.00 0.00 C ATOM 179 CD1 ILE A 12 -1.123 -2.792 -1.573 1.00 0.00 C ATOM 0 H ILE A 12 -1.258 0.970 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.535 -0.156 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.733 -0.856 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.440 -2.643 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.513 -1.318 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.929 -2.877 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.792 -1.376 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.826 -2.212 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.209 -3.375 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.024 -2.119 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.965 -3.464 -1.408 1.00 0.00 H new ATOM 191 N LEU A 13 -4.329 1.634 -4.414 1.00 0.00 N ATOM 192 CA LEU A 13 -5.614 2.301 -4.400 1.00 0.00 C ATOM 193 C LEU A 13 -6.715 1.266 -4.196 1.00 0.00 C ATOM 194 O LEU A 13 -7.076 0.555 -5.133 1.00 0.00 O ATOM 195 CB LEU A 13 -5.786 3.139 -5.669 1.00 0.00 C ATOM 196 CG LEU A 13 -7.003 4.083 -5.576 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.662 5.363 -6.339 1.00 0.00 C ATOM 198 CD2 LEU A 13 -8.290 3.478 -6.154 1.00 0.00 C ATOM 0 H LEU A 13 -3.850 1.678 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.677 3.001 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.884 3.726 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.905 2.478 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.199 4.273 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.506 6.051 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.786 5.831 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.451 5.120 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.105 4.195 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.140 3.241 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.540 2.567 -5.610 1.00 0.00 H new ATOM 210 N CYS A 14 -7.237 1.184 -2.971 1.00 0.00 N ATOM 211 CA CYS A 14 -8.516 0.529 -2.713 1.00 0.00 C ATOM 212 C CYS A 14 -9.631 1.579 -2.608 1.00 0.00 C ATOM 213 O CYS A 14 -9.399 2.761 -2.877 1.00 0.00 O ATOM 214 CB CYS A 14 -8.400 -0.380 -1.486 1.00 0.00 C ATOM 215 SG CYS A 14 -8.245 0.562 0.047 1.00 0.00 S ATOM 0 H CYS A 14 -6.789 1.566 -2.138 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.787 -0.119 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.278 -1.023 -1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.534 -1.032 -1.599 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.210 -0.256 1.057 1.00 0.00 H new ATOM 221 N VAL A 15 -10.842 1.164 -2.217 1.00 0.00 N ATOM 222 CA VAL A 15 -11.959 2.069 -1.970 1.00 0.00 C ATOM 223 C VAL A 15 -12.607 1.766 -0.619 1.00 0.00 C ATOM 224 O VAL A 15 -12.610 0.626 -0.139 1.00 0.00 O ATOM 225 CB VAL A 15 -12.998 2.036 -3.117 1.00 0.00 C ATOM 226 CG1 VAL A 15 -12.429 2.627 -4.415 1.00 0.00 C ATOM 227 CG2 VAL A 15 -13.551 0.628 -3.392 1.00 0.00 C ATOM 0 H VAL A 15 -11.071 0.182 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.561 3.083 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.827 2.655 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.188 2.586 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.138 3.664 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.557 2.051 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.274 0.674 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.733 -0.036 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -14.039 0.247 -2.495 1.00 0.00 H new ATOM 237 N CYS A 16 -13.186 2.819 -0.041 1.00 0.00 N ATOM 238 CA CYS A 16 -14.156 2.781 1.034 1.00 0.00 C ATOM 239 C CYS A 16 -15.465 2.226 0.480 1.00 0.00 C ATOM 240 O CYS A 16 -16.188 2.927 -0.223 1.00 0.00 O ATOM 241 CB CYS A 16 -14.379 4.197 1.562 1.00 0.00 C ATOM 242 SG CYS A 16 -15.499 4.213 2.981 1.00 0.00 S ATOM 0 H CYS A 16 -12.973 3.773 -0.334 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.798 2.150 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.422 4.633 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.789 4.821 0.768 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.721 4.371 2.567 1.00 0.00 H new ATOM 247 N CYS A 17 -15.789 0.986 0.826 1.00 0.00 N ATOM 248 CA CYS A 17 -16.924 0.227 0.320 1.00 0.00 C ATOM 249 C CYS A 17 -18.292 0.878 0.599 1.00 0.00 C ATOM 250 O CYS A 17 -19.293 0.391 0.074 1.00 0.00 O ATOM 251 CB CYS A 17 -16.855 -1.187 0.919 1.00 0.00 C ATOM 252 SG CYS A 17 -17.870 -2.327 -0.059 1.00 0.00 S ATOM 0 H CYS A 17 -15.238 0.456 1.502 1.00 0.00 H new ATOM 0 HA CYS A 17 -16.849 0.199 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.821 -1.533 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -17.204 -1.171 1.951 1.00 0.00 H new ATOM 0 HG CYS A 17 -18.935 -1.710 -0.477 1.00 0.00 H new ATOM 258 N LYS A 18 -18.366 1.950 1.407 1.00 0.00 N ATOM 259 CA LYS A 18 -19.605 2.635 1.741 1.00 0.00 C ATOM 260 C LYS A 18 -19.715 4.068 1.214 1.00 0.00 C ATOM 261 O LYS A 18 -20.831 4.577 1.167 1.00 0.00 O ATOM 262 CB LYS A 18 -19.862 2.527 3.245 1.00 0.00 C ATOM 263 CG LYS A 18 -18.761 3.017 4.196 1.00 0.00 C ATOM 264 CD LYS A 18 -19.262 3.076 5.651 1.00 0.00 C ATOM 265 CE LYS A 18 -19.759 1.720 6.182 1.00 0.00 C ATOM 266 NZ LYS A 18 -20.388 1.824 7.518 1.00 0.00 N ATOM 0 H LYS A 18 -17.545 2.364 1.849 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.403 2.120 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.771 3.084 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -20.063 1.481 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.900 2.351 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.423 4.006 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.456 3.435 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.071 3.803 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.478 1.301 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.921 1.025 6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.867 0.930 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.657 2.017 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.082 2.598 7.515 1.00 0.00 H new ATOM 280 N CYS A 19 -18.622 4.704 0.767 1.00 0.00 N ATOM 281 CA CYS A 19 -18.669 5.982 0.074 1.00 0.00 C ATOM 282 C CYS A 19 -18.038 5.938 -1.325 1.00 0.00 C ATOM 283 O CYS A 19 -18.016 6.962 -2.001 1.00 0.00 O ATOM 284 CB CYS A 19 -18.027 7.041 0.969 1.00 0.00 C ATOM 285 SG CYS A 19 -16.236 6.971 1.229 1.00 0.00 S ATOM 0 H CYS A 19 -17.678 4.336 0.882 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.712 6.241 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.265 8.019 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.508 6.987 1.946 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.933 5.883 1.873 1.00 0.00 H new ATOM 290 N ASP A 20 -17.512 4.777 -1.745 1.00 0.00 N ATOM 291 CA ASP A 20 -16.673 4.552 -2.928 1.00 0.00 C ATOM 292 C ASP A 20 -15.480 5.520 -3.005 1.00 0.00 C ATOM 293 O ASP A 20 -14.923 5.784 -4.070 1.00 0.00 O ATOM 294 CB ASP A 20 -17.534 4.501 -4.197 1.00 0.00 C ATOM 295 CG ASP A 20 -16.776 3.909 -5.394 1.00 0.00 C ATOM 296 OD1 ASP A 20 -16.057 2.904 -5.181 1.00 0.00 O ATOM 297 OD2 ASP A 20 -16.975 4.427 -6.516 1.00 0.00 O ATOM 0 H ASP A 20 -17.674 3.912 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 20 -16.206 3.572 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.426 3.905 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.871 5.507 -4.445 1.00 0.00 H new ATOM 302 N GLY A 21 -15.069 6.067 -1.855 1.00 0.00 N ATOM 303 CA GLY A 21 -13.972 7.016 -1.807 1.00 0.00 C ATOM 304 C GLY A 21 -12.670 6.257 -1.842 1.00 0.00 C ATOM 305 O GLY A 21 -12.501 5.230 -1.186 1.00 0.00 O ATOM 0 H GLY A 21 -15.487 5.862 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.031 7.703 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.033 7.618 -0.900 1.00 0.00 H new ATOM 309 N ARG A 22 -11.752 6.790 -2.631 1.00 0.00 N ATOM 310 CA ARG A 22 -10.507 6.133 -2.978 1.00 0.00 C ATOM 311 C ARG A 22 -9.537 6.214 -1.807 1.00 0.00 C ATOM 312 O ARG A 22 -9.417 7.267 -1.180 1.00 0.00 O ATOM 313 CB ARG A 22 -9.981 6.748 -4.281 1.00 0.00 C ATOM 314 CG ARG A 22 -9.432 8.186 -4.191 1.00 0.00 C ATOM 315 CD ARG A 22 -7.916 8.190 -3.967 1.00 0.00 C ATOM 316 NE ARG A 22 -7.350 9.549 -3.879 1.00 0.00 N ATOM 317 CZ ARG A 22 -6.038 9.824 -3.977 1.00 0.00 C ATOM 318 NH1 ARG A 22 -5.187 8.852 -4.283 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.576 11.054 -3.762 1.00 0.00 N ATOM 0 H ARG A 22 -11.856 7.711 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.649 5.069 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.190 6.105 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.788 6.736 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.668 8.726 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.924 8.715 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.688 7.648 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.432 7.653 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.993 10.327 -3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.530 7.905 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.190 9.052 -4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.221 11.806 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.577 11.245 -3.841 1.00 0.00 H new ATOM 333 N ILE A 23 -8.815 5.125 -1.542 1.00 0.00 N ATOM 334 CA ILE A 23 -7.851 5.051 -0.460 1.00 0.00 C ATOM 335 C ILE A 23 -6.553 4.494 -1.054 1.00 0.00 C ATOM 336 O ILE A 23 -6.419 3.287 -1.257 1.00 0.00 O ATOM 337 CB ILE A 23 -8.387 4.191 0.706 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.836 4.500 1.149 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.413 4.323 1.887 1.00 0.00 C ATOM 340 CD1 ILE A 23 -10.384 3.475 2.154 1.00 0.00 C ATOM 0 H ILE A 23 -8.889 4.263 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.665 6.036 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.440 3.166 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.870 5.494 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.482 4.523 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.772 3.723 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.426 3.972 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.349 5.368 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.404 3.744 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.379 2.483 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.758 3.470 3.046 1.00 0.00 H new ATOM 352 N GLU A 24 -5.613 5.389 -1.368 1.00 0.00 N ATOM 353 CA GLU A 24 -4.277 5.076 -1.865 1.00 0.00 C ATOM 354 C GLU A 24 -3.426 4.508 -0.725 1.00 0.00 C ATOM 355 O GLU A 24 -2.745 5.251 -0.013 1.00 0.00 O ATOM 356 CB GLU A 24 -3.702 6.349 -2.503 1.00 0.00 C ATOM 357 CG GLU A 24 -2.327 6.184 -3.172 1.00 0.00 C ATOM 358 CD GLU A 24 -1.843 7.460 -3.887 1.00 0.00 C ATOM 359 OE1 GLU A 24 -2.611 8.447 -3.976 1.00 0.00 O ATOM 360 OE2 GLU A 24 -0.691 7.434 -4.378 1.00 0.00 O ATOM 0 H GLU A 24 -5.772 6.393 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.294 4.303 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.409 6.714 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.624 7.118 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.595 5.898 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.376 5.368 -3.893 1.00 0.00 H new ATOM 367 N LEU A 25 -3.490 3.185 -0.531 1.00 0.00 N ATOM 368 CA LEU A 25 -2.759 2.483 0.512 1.00 0.00 C ATOM 369 C LEU A 25 -1.267 2.494 0.162 1.00 0.00 C ATOM 370 O LEU A 25 -0.770 1.574 -0.490 1.00 0.00 O ATOM 371 CB LEU A 25 -3.235 1.032 0.720 1.00 0.00 C ATOM 372 CG LEU A 25 -4.743 0.789 0.860 1.00 0.00 C ATOM 373 CD1 LEU A 25 -4.995 -0.726 0.833 1.00 0.00 C ATOM 374 CD2 LEU A 25 -5.270 1.392 2.167 1.00 0.00 C ATOM 0 H LEU A 25 -4.063 2.569 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.947 3.006 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.876 0.438 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.748 0.645 1.615 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.270 1.270 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.063 -0.919 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.637 -1.138 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.463 -1.198 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.341 1.208 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.759 0.931 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.085 2.466 2.173 1.00 0.00 H new ATOM 386 N THR A 26 -0.552 3.547 0.555 1.00 0.00 N ATOM 387 CA THR A 26 0.903 3.572 0.484 1.00 0.00 C ATOM 388 C THR A 26 1.432 2.640 1.575 1.00 0.00 C ATOM 389 O THR A 26 1.374 2.976 2.757 1.00 0.00 O ATOM 390 CB THR A 26 1.429 5.008 0.607 1.00 0.00 C ATOM 391 OG1 THR A 26 0.853 5.792 -0.422 1.00 0.00 O ATOM 392 CG2 THR A 26 2.959 5.061 0.470 1.00 0.00 C ATOM 0 H THR A 26 -0.965 4.401 0.929 1.00 0.00 H new ATOM 0 HA THR A 26 1.259 3.217 -0.483 1.00 0.00 H new ATOM 0 HB THR A 26 1.159 5.390 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.180 6.713 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.297 6.093 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.416 4.458 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.251 4.669 -0.504 1.00 0.00 H new ATOM 400 N VAL A 27 1.911 1.463 1.170 1.00 0.00 N ATOM 401 CA VAL A 27 2.490 0.443 2.038 1.00 0.00 C ATOM 402 C VAL A 27 3.900 0.103 1.545 1.00 0.00 C ATOM 403 O VAL A 27 4.312 0.528 0.468 1.00 0.00 O ATOM 404 CB VAL A 27 1.577 -0.807 2.086 1.00 0.00 C ATOM 405 CG1 VAL A 27 0.186 -0.486 2.655 1.00 0.00 C ATOM 406 CG2 VAL A 27 1.420 -1.478 0.711 1.00 0.00 C ATOM 0 H VAL A 27 1.905 1.186 0.188 1.00 0.00 H new ATOM 0 HA VAL A 27 2.566 0.823 3.057 1.00 0.00 H new ATOM 0 HB VAL A 27 2.080 -1.506 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.419 -1.392 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.288 -0.101 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.299 0.264 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.770 -2.348 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.981 -0.770 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.398 -1.792 0.346 1.00 0.00 H new ATOM 416 N GLU A 28 4.627 -0.716 2.302 1.00 0.00 N ATOM 417 CA GLU A 28 5.875 -1.337 1.882 1.00 0.00 C ATOM 418 C GLU A 28 5.659 -2.830 2.091 1.00 0.00 C ATOM 419 O GLU A 28 5.596 -3.302 3.226 1.00 0.00 O ATOM 420 CB GLU A 28 7.064 -0.736 2.652 1.00 0.00 C ATOM 421 CG GLU A 28 7.456 0.632 2.076 1.00 0.00 C ATOM 422 CD GLU A 28 8.125 1.603 3.056 1.00 0.00 C ATOM 423 OE1 GLU A 28 8.982 1.144 3.841 1.00 0.00 O ATOM 424 OE2 GLU A 28 7.784 2.811 2.969 1.00 0.00 O ATOM 0 H GLU A 28 4.354 -0.971 3.251 1.00 0.00 H new ATOM 0 HA GLU A 28 6.130 -1.153 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.804 -0.630 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.916 -1.414 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.131 0.471 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.560 1.108 1.678 1.00 0.00 H new ATOM 431 N SER A 29 5.344 -3.573 1.024 1.00 0.00 N ATOM 432 CA SER A 29 4.800 -4.910 1.129 1.00 0.00 C ATOM 433 C SER A 29 5.069 -5.648 -0.174 1.00 0.00 C ATOM 434 O SER A 29 4.838 -5.100 -1.243 1.00 0.00 O ATOM 435 CB SER A 29 3.314 -4.767 1.376 1.00 0.00 C ATOM 436 OG SER A 29 3.103 -4.189 2.655 1.00 0.00 O ATOM 0 H SER A 29 5.464 -3.252 0.063 1.00 0.00 H new ATOM 0 HA SER A 29 5.256 -5.476 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.864 -4.143 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.829 -5.742 1.321 1.00 0.00 H new ATOM 0 HG SER A 29 2.141 -4.094 2.816 1.00 0.00 H new ATOM 442 N SER A 30 5.615 -6.856 -0.070 1.00 0.00 N ATOM 443 CA SER A 30 6.348 -7.528 -1.138 1.00 0.00 C ATOM 444 C SER A 30 5.494 -7.892 -2.359 1.00 0.00 C ATOM 445 O SER A 30 4.269 -7.916 -2.291 1.00 0.00 O ATOM 446 CB SER A 30 7.015 -8.770 -0.533 1.00 0.00 C ATOM 447 OG SER A 30 7.705 -8.419 0.657 1.00 0.00 O ATOM 0 H SER A 30 5.558 -7.410 0.784 1.00 0.00 H new ATOM 0 HA SER A 30 7.089 -6.832 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.262 -9.528 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.710 -9.206 -1.251 1.00 0.00 H new ATOM 0 HG SER A 30 8.127 -9.217 1.038 1.00 0.00 H new ATOM 453 N ALA A 31 6.157 -8.235 -3.470 1.00 0.00 N ATOM 454 CA ALA A 31 5.536 -8.581 -4.751 1.00 0.00 C ATOM 455 C ALA A 31 4.418 -9.611 -4.630 1.00 0.00 C ATOM 456 O ALA A 31 3.347 -9.450 -5.215 1.00 0.00 O ATOM 457 CB ALA A 31 6.607 -9.168 -5.679 1.00 0.00 C ATOM 0 H ALA A 31 7.176 -8.280 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 31 5.101 -7.661 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.156 -9.429 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.394 -8.431 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.033 -10.061 -5.223 1.00 0.00 H new ATOM 463 N GLU A 32 4.700 -10.701 -3.919 1.00 0.00 N ATOM 464 CA GLU A 32 3.774 -11.806 -3.787 1.00 0.00 C ATOM 465 C GLU A 32 2.549 -11.350 -3.008 1.00 0.00 C ATOM 466 O GLU A 32 1.435 -11.488 -3.500 1.00 0.00 O ATOM 467 CB GLU A 32 4.503 -12.970 -3.123 1.00 0.00 C ATOM 468 CG GLU A 32 3.690 -14.264 -3.191 1.00 0.00 C ATOM 469 CD GLU A 32 2.722 -14.429 -2.008 1.00 0.00 C ATOM 470 OE1 GLU A 32 3.222 -14.761 -0.913 1.00 0.00 O ATOM 471 OE2 GLU A 32 1.501 -14.218 -2.209 1.00 0.00 O ATOM 0 H GLU A 32 5.580 -10.836 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 32 3.419 -12.147 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.467 -13.120 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.707 -12.724 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.123 -14.282 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.372 -15.114 -3.216 1.00 0.00 H new ATOM 478 N ASP A 33 2.771 -10.729 -1.845 1.00 0.00 N ATOM 479 CA ASP A 33 1.722 -10.145 -1.025 1.00 0.00 C ATOM 480 C ASP A 33 0.889 -9.156 -1.843 1.00 0.00 C ATOM 481 O ASP A 33 -0.335 -9.254 -1.824 1.00 0.00 O ATOM 482 CB ASP A 33 2.339 -9.490 0.213 1.00 0.00 C ATOM 483 CG ASP A 33 1.275 -8.782 1.046 1.00 0.00 C ATOM 484 OD1 ASP A 33 0.424 -9.494 1.622 1.00 0.00 O ATOM 485 OD2 ASP A 33 1.334 -7.536 1.094 1.00 0.00 O ATOM 0 H ASP A 33 3.703 -10.620 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 33 1.045 -10.930 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.836 -10.247 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.102 -8.774 -0.092 1.00 0.00 H new ATOM 490 N LEU A 34 1.530 -8.283 -2.638 1.00 0.00 N ATOM 491 CA LEU A 34 0.840 -7.373 -3.549 1.00 0.00 C ATOM 492 C LEU A 34 -0.058 -8.151 -4.511 1.00 0.00 C ATOM 493 O LEU A 34 -1.216 -7.784 -4.692 1.00 0.00 O ATOM 494 CB LEU A 34 1.840 -6.504 -4.330 1.00 0.00 C ATOM 495 CG LEU A 34 1.153 -5.487 -5.269 1.00 0.00 C ATOM 496 CD1 LEU A 34 0.580 -4.313 -4.476 1.00 0.00 C ATOM 497 CD2 LEU A 34 2.162 -4.956 -6.296 1.00 0.00 C ATOM 0 H LEU A 34 2.546 -8.193 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 34 0.215 -6.711 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.475 -5.967 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.492 -7.150 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 34 0.338 -5.998 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.102 -3.611 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.155 -4.681 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.384 -3.808 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.669 -4.240 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.985 -4.465 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.549 -5.785 -6.888 1.00 0.00 H new ATOM 509 N ARG A 35 0.459 -9.206 -5.150 1.00 0.00 N ATOM 510 CA ARG A 35 -0.320 -10.012 -6.083 1.00 0.00 C ATOM 511 C ARG A 35 -1.485 -10.655 -5.346 1.00 0.00 C ATOM 512 O ARG A 35 -2.625 -10.524 -5.775 1.00 0.00 O ATOM 513 CB ARG A 35 0.576 -11.058 -6.767 1.00 0.00 C ATOM 514 CG ARG A 35 -0.104 -11.729 -7.972 1.00 0.00 C ATOM 515 CD ARG A 35 -0.750 -13.072 -7.596 1.00 0.00 C ATOM 516 NE ARG A 35 -1.831 -13.421 -8.531 1.00 0.00 N ATOM 517 CZ ARG A 35 -2.191 -14.632 -8.979 1.00 0.00 C ATOM 518 NH1 ARG A 35 -1.432 -15.705 -8.747 1.00 0.00 N ATOM 519 NH2 ARG A 35 -3.334 -14.763 -9.652 1.00 0.00 N ATOM 0 H ARG A 35 1.423 -9.520 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.726 -9.375 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.499 -10.580 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.854 -11.822 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.865 -11.062 -8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.632 -11.889 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.006 -13.857 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.146 -13.017 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.379 -12.637 -8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.563 -15.611 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.721 -16.619 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.923 -13.947 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.620 -15.679 -9.998 1.00 0.00 H new ATOM 533 N THR A 36 -1.219 -11.367 -4.263 1.00 0.00 N ATOM 534 CA THR A 36 -2.218 -12.096 -3.500 1.00 0.00 C ATOM 535 C THR A 36 -3.304 -11.140 -2.986 1.00 0.00 C ATOM 536 O THR A 36 -4.486 -11.383 -3.244 1.00 0.00 O ATOM 537 CB THR A 36 -1.482 -12.906 -2.426 1.00 0.00 C ATOM 538 OG1 THR A 36 -0.696 -13.863 -3.119 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.421 -13.651 -1.473 1.00 0.00 C ATOM 0 H THR A 36 -0.278 -11.456 -3.881 1.00 0.00 H new ATOM 0 HA THR A 36 -2.769 -12.810 -4.111 1.00 0.00 H new ATOM 0 HB THR A 36 -0.898 -12.220 -1.812 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.014 -14.192 -2.529 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.833 -14.203 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.062 -12.934 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.038 -14.347 -2.041 1.00 0.00 H new ATOM 547 N LEU A 37 -2.942 -10.017 -2.347 1.00 0.00 N ATOM 548 CA LEU A 37 -3.938 -9.044 -1.906 1.00 0.00 C ATOM 549 C LEU A 37 -4.661 -8.407 -3.091 1.00 0.00 C ATOM 550 O LEU A 37 -5.851 -8.116 -2.968 1.00 0.00 O ATOM 551 CB LEU A 37 -3.362 -8.006 -0.921 1.00 0.00 C ATOM 552 CG LEU A 37 -2.487 -6.891 -1.532 1.00 0.00 C ATOM 553 CD1 LEU A 37 -3.274 -5.691 -2.083 1.00 0.00 C ATOM 554 CD2 LEU A 37 -1.508 -6.359 -0.479 1.00 0.00 C ATOM 0 H LEU A 37 -1.977 -9.767 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.690 -9.592 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.193 -7.538 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.769 -8.535 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.976 -7.361 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.579 -4.957 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.950 -6.029 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.852 -5.235 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.894 -5.572 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.066 -5.955 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.867 -7.171 -0.135 1.00 0.00 H new ATOM 566 N GLN A 38 -3.990 -8.222 -4.241 1.00 0.00 N ATOM 567 CA GLN A 38 -4.645 -7.751 -5.450 1.00 0.00 C ATOM 568 C GLN A 38 -5.768 -8.742 -5.778 1.00 0.00 C ATOM 569 O GLN A 38 -6.887 -8.305 -6.021 1.00 0.00 O ATOM 570 CB GLN A 38 -3.625 -7.557 -6.588 1.00 0.00 C ATOM 571 CG GLN A 38 -4.175 -7.499 -8.022 1.00 0.00 C ATOM 572 CD GLN A 38 -3.058 -7.830 -9.009 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.060 -8.888 -9.634 1.00 0.00 O ATOM 574 NE2 GLN A 38 -2.049 -6.977 -9.109 1.00 0.00 N ATOM 0 H GLN A 38 -2.991 -8.395 -4.347 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.089 -6.766 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.079 -6.633 -6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.902 -8.371 -6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.997 -8.205 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.576 -6.507 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.065 -6.104 -8.582 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.256 -7.194 -9.713 1.00 0.00 H new ATOM 583 N GLN A 39 -5.508 -10.059 -5.725 1.00 0.00 N ATOM 584 CA GLN A 39 -6.527 -11.067 -5.997 1.00 0.00 C ATOM 585 C GLN A 39 -7.686 -10.932 -5.009 1.00 0.00 C ATOM 586 O GLN A 39 -8.837 -11.024 -5.422 1.00 0.00 O ATOM 587 CB GLN A 39 -6.015 -12.508 -5.963 1.00 0.00 C ATOM 588 CG GLN A 39 -4.716 -12.796 -6.710 1.00 0.00 C ATOM 589 CD GLN A 39 -4.557 -12.146 -8.086 1.00 0.00 C ATOM 590 OE1 GLN A 39 -5.014 -12.664 -9.100 1.00 0.00 O ATOM 591 NE2 GLN A 39 -3.728 -11.114 -8.164 1.00 0.00 N ATOM 0 H GLN A 39 -4.592 -10.445 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.856 -10.873 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.878 -12.795 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.792 -13.154 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.884 -12.474 -6.083 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.625 -13.875 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.356 -10.693 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.463 -10.741 -9.075 1.00 0.00 H new ATOM 600 N LEU A 40 -7.400 -10.701 -3.720 1.00 0.00 N ATOM 601 CA LEU A 40 -8.444 -10.514 -2.713 1.00 0.00 C ATOM 602 C LEU A 40 -9.340 -9.321 -3.062 1.00 0.00 C ATOM 603 O LEU A 40 -10.565 -9.475 -3.059 1.00 0.00 O ATOM 604 CB LEU A 40 -7.854 -10.357 -1.300 1.00 0.00 C ATOM 605 CG LEU A 40 -7.049 -11.567 -0.787 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.484 -11.254 0.604 1.00 0.00 C ATOM 607 CD2 LEU A 40 -7.889 -12.850 -0.728 1.00 0.00 C ATOM 0 H LEU A 40 -6.450 -10.640 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.057 -11.415 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.207 -9.480 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.669 -10.161 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.239 -11.744 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.915 -12.110 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.831 -10.383 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.304 -11.046 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.274 -13.671 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.734 -12.701 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.256 -13.091 -1.726 1.00 0.00 H new ATOM 619 N PHE A 41 -8.751 -8.154 -3.368 1.00 0.00 N ATOM 620 CA PHE A 41 -9.515 -6.963 -3.759 1.00 0.00 C ATOM 621 C PHE A 41 -10.233 -7.167 -5.102 1.00 0.00 C ATOM 622 O PHE A 41 -11.341 -6.665 -5.273 1.00 0.00 O ATOM 623 CB PHE A 41 -8.622 -5.708 -3.774 1.00 0.00 C ATOM 624 CG PHE A 41 -8.349 -5.067 -2.414 1.00 0.00 C ATOM 625 CD1 PHE A 41 -9.317 -4.242 -1.800 1.00 0.00 C ATOM 626 CD2 PHE A 41 -7.100 -5.230 -1.783 1.00 0.00 C ATOM 627 CE1 PHE A 41 -9.035 -3.601 -0.579 1.00 0.00 C ATOM 628 CE2 PHE A 41 -6.816 -4.585 -0.568 1.00 0.00 C ATOM 629 CZ PHE A 41 -7.782 -3.764 0.030 1.00 0.00 C ATOM 0 H PHE A 41 -7.741 -8.012 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.287 -6.805 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.667 -5.971 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.087 -4.962 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.279 -4.102 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.351 -5.859 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -9.785 -2.982 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.855 -4.721 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.562 -3.258 0.958 1.00 0.00 H new ATOM 639 N LEU A 42 -9.651 -7.930 -6.036 1.00 0.00 N ATOM 640 CA LEU A 42 -10.311 -8.330 -7.281 1.00 0.00 C ATOM 641 C LEU A 42 -11.510 -9.246 -7.009 1.00 0.00 C ATOM 642 O LEU A 42 -12.518 -9.153 -7.705 1.00 0.00 O ATOM 643 CB LEU A 42 -9.310 -9.038 -8.219 1.00 0.00 C ATOM 644 CG LEU A 42 -8.692 -8.157 -9.320 1.00 0.00 C ATOM 645 CD1 LEU A 42 -9.736 -7.764 -10.370 1.00 0.00 C ATOM 646 CD2 LEU A 42 -7.973 -6.903 -8.804 1.00 0.00 C ATOM 0 H LEU A 42 -8.701 -8.289 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.677 -7.425 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.503 -9.452 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.816 -9.879 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.925 -8.783 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.268 -7.142 -11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.143 -8.663 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.541 -7.207 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.569 -6.343 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.679 -6.278 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.160 -7.197 -8.140 1.00 0.00 H new ATOM 658 N SER A 43 -11.385 -10.151 -6.033 1.00 0.00 N ATOM 659 CA SER A 43 -12.373 -11.170 -5.720 1.00 0.00 C ATOM 660 C SER A 43 -13.582 -10.566 -5.010 1.00 0.00 C ATOM 661 O SER A 43 -14.718 -10.756 -5.447 1.00 0.00 O ATOM 662 CB SER A 43 -11.712 -12.251 -4.853 1.00 0.00 C ATOM 663 OG SER A 43 -12.553 -13.376 -4.711 1.00 0.00 O ATOM 0 H SER A 43 -10.567 -10.190 -5.425 1.00 0.00 H new ATOM 0 HA SER A 43 -12.735 -11.616 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.767 -12.555 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.480 -11.841 -3.870 1.00 0.00 H new ATOM 0 HG SER A 43 -12.107 -14.050 -4.156 1.00 0.00 H new ATOM 669 N THR A 44 -13.370 -9.925 -3.855 1.00 0.00 N ATOM 670 CA THR A 44 -14.446 -9.453 -2.980 1.00 0.00 C ATOM 671 C THR A 44 -13.987 -8.413 -1.942 1.00 0.00 C ATOM 672 O THR A 44 -14.825 -7.655 -1.453 1.00 0.00 O ATOM 673 CB THR A 44 -15.113 -10.675 -2.288 1.00 0.00 C ATOM 674 OG1 THR A 44 -15.767 -11.495 -3.236 1.00 0.00 O ATOM 675 CG2 THR A 44 -16.178 -10.348 -1.233 1.00 0.00 C ATOM 0 H THR A 44 -12.437 -9.718 -3.499 1.00 0.00 H new ATOM 0 HA THR A 44 -15.171 -8.934 -3.607 1.00 0.00 H new ATOM 0 HB THR A 44 -14.271 -11.160 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.716 -11.077 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.575 -11.274 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.730 -9.755 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.987 -9.782 -1.696 1.00 0.00 H new ATOM 683 N LEU A 45 -12.699 -8.355 -1.573 1.00 0.00 N ATOM 684 CA LEU A 45 -12.246 -7.473 -0.500 1.00 0.00 C ATOM 685 C LEU A 45 -12.460 -6.008 -0.898 1.00 0.00 C ATOM 686 O LEU A 45 -12.284 -5.613 -2.050 1.00 0.00 O ATOM 687 CB LEU A 45 -10.775 -7.779 -0.161 1.00 0.00 C ATOM 688 CG LEU A 45 -10.173 -6.979 1.010 1.00 0.00 C ATOM 689 CD1 LEU A 45 -10.894 -7.256 2.336 1.00 0.00 C ATOM 690 CD2 LEU A 45 -8.691 -7.351 1.151 1.00 0.00 C ATOM 0 H LEU A 45 -11.958 -8.909 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.834 -7.651 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.689 -8.841 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.172 -7.594 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.291 -5.918 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.433 -6.669 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.944 -6.980 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.817 -8.316 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.252 -6.791 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.601 -8.419 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.165 -7.107 0.228 1.00 0.00 H new ATOM 702 N SER A 46 -12.836 -5.174 0.067 1.00 0.00 N ATOM 703 CA SER A 46 -12.814 -3.722 -0.005 1.00 0.00 C ATOM 704 C SER A 46 -12.728 -3.222 1.436 1.00 0.00 C ATOM 705 O SER A 46 -12.879 -4.014 2.371 1.00 0.00 O ATOM 706 CB SER A 46 -14.042 -3.211 -0.764 1.00 0.00 C ATOM 707 OG SER A 46 -13.894 -3.541 -2.131 1.00 0.00 O ATOM 0 H SER A 46 -13.181 -5.513 0.965 1.00 0.00 H new ATOM 0 HA SER A 46 -11.959 -3.342 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.950 -3.661 -0.362 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.140 -2.132 -0.643 1.00 0.00 H new ATOM 0 HG SER A 46 -13.060 -4.039 -2.259 1.00 0.00 H new ATOM 713 N PHE A 47 -12.423 -1.938 1.626 1.00 0.00 N ATOM 714 CA PHE A 47 -12.011 -1.370 2.902 1.00 0.00 C ATOM 715 C PHE A 47 -13.027 -0.288 3.287 1.00 0.00 C ATOM 716 O PHE A 47 -14.070 -0.145 2.649 1.00 0.00 O ATOM 717 CB PHE A 47 -10.557 -0.858 2.767 1.00 0.00 C ATOM 718 CG PHE A 47 -9.408 -1.844 2.990 1.00 0.00 C ATOM 719 CD1 PHE A 47 -9.592 -3.237 3.145 1.00 0.00 C ATOM 720 CD2 PHE A 47 -8.105 -1.321 3.110 1.00 0.00 C ATOM 721 CE1 PHE A 47 -8.506 -4.065 3.484 1.00 0.00 C ATOM 722 CE2 PHE A 47 -7.020 -2.148 3.447 1.00 0.00 C ATOM 723 CZ PHE A 47 -7.222 -3.523 3.648 1.00 0.00 C ATOM 0 H PHE A 47 -12.458 -1.249 0.874 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.004 -2.102 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.445 -0.440 1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.429 -0.036 3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.572 -3.668 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.938 -0.268 2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.662 -5.125 3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.031 -1.726 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.395 -4.159 3.927 1.00 0.00 H new ATOM 733 N VAL A 48 -12.760 0.463 4.355 1.00 0.00 N ATOM 734 CA VAL A 48 -13.558 1.592 4.791 1.00 0.00 C ATOM 735 C VAL A 48 -12.572 2.617 5.352 1.00 0.00 C ATOM 736 O VAL A 48 -11.711 2.264 6.158 1.00 0.00 O ATOM 737 CB VAL A 48 -14.679 1.122 5.748 1.00 0.00 C ATOM 738 CG1 VAL A 48 -14.193 0.269 6.929 1.00 0.00 C ATOM 739 CG2 VAL A 48 -15.503 2.302 6.272 1.00 0.00 C ATOM 0 H VAL A 48 -11.954 0.291 4.956 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.111 2.076 3.986 1.00 0.00 H new ATOM 0 HB VAL A 48 -15.306 0.475 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.045 -0.016 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.702 -0.628 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.487 0.845 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.281 1.934 6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.852 2.988 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.963 2.825 5.434 1.00 0.00 H new ATOM 749 N CYS A 49 -12.632 3.862 4.864 1.00 0.00 N ATOM 750 CA CYS A 49 -11.755 4.926 5.345 1.00 0.00 C ATOM 751 C CYS A 49 -12.142 5.279 6.790 1.00 0.00 C ATOM 752 O CYS A 49 -13.319 5.169 7.136 1.00 0.00 O ATOM 753 CB CYS A 49 -11.832 6.139 4.404 1.00 0.00 C ATOM 754 SG CYS A 49 -13.491 6.750 3.999 1.00 0.00 S ATOM 0 H CYS A 49 -13.282 4.154 4.134 1.00 0.00 H new ATOM 0 HA CYS A 49 -10.717 4.592 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.269 6.956 4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.328 5.880 3.473 1.00 0.00 H new ATOM 0 HG CYS A 49 -14.242 5.755 3.632 1.00 0.00 H new ATOM 759 N PRO A 50 -11.207 5.739 7.644 1.00 0.00 N ATOM 760 CA PRO A 50 -11.461 5.871 9.080 1.00 0.00 C ATOM 761 C PRO A 50 -12.556 6.892 9.417 1.00 0.00 C ATOM 762 O PRO A 50 -13.269 6.723 10.409 1.00 0.00 O ATOM 763 CB PRO A 50 -10.114 6.236 9.713 1.00 0.00 C ATOM 764 CG PRO A 50 -9.302 6.810 8.553 1.00 0.00 C ATOM 765 CD PRO A 50 -9.809 6.016 7.352 1.00 0.00 C ATOM 0 HA PRO A 50 -11.851 4.935 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.234 6.965 10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.627 5.362 10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.473 7.880 8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.231 6.674 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.705 6.587 6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.243 5.094 7.222 1.00 0.00 H new ATOM 773 N TRP A 51 -12.740 7.918 8.577 1.00 0.00 N ATOM 774 CA TRP A 51 -13.858 8.842 8.694 1.00 0.00 C ATOM 775 C TRP A 51 -15.190 8.106 8.534 1.00 0.00 C ATOM 776 O TRP A 51 -16.075 8.235 9.384 1.00 0.00 O ATOM 777 CB TRP A 51 -13.703 9.980 7.683 1.00 0.00 C ATOM 778 CG TRP A 51 -14.735 11.041 7.874 1.00 0.00 C ATOM 779 CD1 TRP A 51 -15.740 11.326 7.020 1.00 0.00 C ATOM 780 CD2 TRP A 51 -14.946 11.884 9.048 1.00 0.00 C ATOM 781 NE1 TRP A 51 -16.563 12.274 7.589 1.00 0.00 N ATOM 782 CE2 TRP A 51 -16.129 12.650 8.842 1.00 0.00 C ATOM 783 CE3 TRP A 51 -14.286 12.040 10.286 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -16.641 13.516 9.822 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -14.785 12.910 11.274 1.00 0.00 C ATOM 786 CH2 TRP A 51 -15.962 13.644 11.045 1.00 0.00 C ATOM 0 H TRP A 51 -12.114 8.125 7.799 1.00 0.00 H new ATOM 0 HA TRP A 51 -13.857 9.281 9.692 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -12.710 10.418 7.780 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -13.777 9.580 6.672 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -15.878 10.882 6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -17.395 12.653 7.136 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -13.382 11.482 10.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -17.546 14.077 9.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -14.261 13.014 12.213 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -16.344 14.306 11.809 1.00 0.00 H new ATOM 797 N CYS A 52 -15.322 7.297 7.480 1.00 0.00 N ATOM 798 CA CYS A 52 -16.501 6.476 7.263 1.00 0.00 C ATOM 799 C CYS A 52 -16.619 5.366 8.303 1.00 0.00 C ATOM 800 O CYS A 52 -17.730 5.033 8.678 1.00 0.00 O ATOM 801 CB CYS A 52 -16.474 5.884 5.859 1.00 0.00 C ATOM 802 SG CYS A 52 -16.835 7.081 4.556 1.00 0.00 S ATOM 0 H CYS A 52 -14.610 7.197 6.756 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.376 7.117 7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.491 5.449 5.677 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.198 5.071 5.804 1.00 0.00 H new ATOM 0 HG CYS A 52 -16.394 6.631 3.419 1.00 0.00 H new ATOM 807 N ALA A 53 -15.517 4.807 8.812 1.00 0.00 N ATOM 808 CA ALA A 53 -15.580 3.843 9.908 1.00 0.00 C ATOM 809 C ALA A 53 -16.111 4.491 11.196 1.00 0.00 C ATOM 810 O ALA A 53 -16.775 3.828 11.987 1.00 0.00 O ATOM 811 CB ALA A 53 -14.202 3.217 10.142 1.00 0.00 C ATOM 0 H ALA A 53 -14.573 5.007 8.481 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.279 3.056 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.262 2.500 10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.876 2.706 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.486 3.998 10.395 1.00 0.00 H new ATOM 817 N THR A 54 -15.825 5.782 11.400 1.00 0.00 N ATOM 818 CA THR A 54 -16.268 6.552 12.557 1.00 0.00 C ATOM 819 C THR A 54 -17.751 6.936 12.426 1.00 0.00 C ATOM 820 O THR A 54 -18.516 6.742 13.367 1.00 0.00 O ATOM 821 CB THR A 54 -15.364 7.791 12.719 1.00 0.00 C ATOM 822 OG1 THR A 54 -14.003 7.406 12.776 1.00 0.00 O ATOM 823 CG2 THR A 54 -15.668 8.583 13.994 1.00 0.00 C ATOM 0 H THR A 54 -15.265 6.329 10.746 1.00 0.00 H new ATOM 0 HA THR A 54 -16.181 5.942 13.456 1.00 0.00 H new ATOM 0 HB THR A 54 -15.564 8.421 11.852 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.592 7.524 11.894 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.002 9.443 14.055 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.702 8.926 13.971 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.517 7.944 14.864 1.00 0.00 H new ATOM 831 N ASN A 55 -18.156 7.499 11.278 1.00 0.00 N ATOM 832 CA ASN A 55 -19.510 8.040 11.064 1.00 0.00 C ATOM 833 C ASN A 55 -20.505 6.969 10.612 1.00 0.00 C ATOM 834 O ASN A 55 -21.712 7.160 10.741 1.00 0.00 O ATOM 835 CB ASN A 55 -19.471 9.172 10.027 1.00 0.00 C ATOM 836 CG ASN A 55 -18.730 10.383 10.570 1.00 0.00 C ATOM 837 OD1 ASN A 55 -19.330 11.335 11.051 1.00 0.00 O ATOM 838 ND2 ASN A 55 -17.409 10.352 10.531 1.00 0.00 N ATOM 0 H ASN A 55 -17.549 7.593 10.464 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.852 8.424 12.025 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -18.983 8.820 9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.488 9.455 9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.869 11.132 10.907 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.929 9.548 10.125 1.00 0.00 H new ATOM 845 N GLN A 56 -19.965 5.839 10.151 1.00 0.00 N ATOM 846 CA GLN A 56 -20.577 4.646 9.611 1.00 0.00 C ATOM 847 C GLN A 56 -21.484 4.877 8.400 1.00 0.00 C ATOM 848 O GLN A 56 -22.053 3.854 7.949 1.00 0.00 O ATOM 849 CB GLN A 56 -21.161 3.851 10.774 1.00 0.00 C ATOM 850 CG GLN A 56 -20.101 3.254 11.723 1.00 0.00 C ATOM 851 CD GLN A 56 -19.362 2.025 11.169 1.00 0.00 C ATOM 852 OE1 GLN A 56 -19.193 1.838 9.963 1.00 0.00 O ATOM 853 NE2 GLN A 56 -18.936 1.125 12.047 1.00 0.00 N ATOM 0 H GLN A 56 -18.950 5.738 10.153 1.00 0.00 H new ATOM 0 HA GLN A 56 -19.819 4.022 9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -21.823 4.500 11.348 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -21.774 3.042 10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.368 4.026 11.959 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -20.586 2.978 12.659 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -19.076 1.280 13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.469 0.278 11.723 1.00 0.00 H new