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 43 SER OG : rot -86:sc= 1.25 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: A 18 LYS NZ :NH3+ -132:sc= 0.93 (180deg=-0.76) USER MOD Set 2.2: A 56 GLN : amide:sc= 2.14 K(o=3.1,f=-5.5) USER MOD Set 3.1: A 17 CYS SG : rot -41:sc=-0.00611 USER MOD Set 3.2: A 46 SER OG : rot 170:sc= 0 USER MOD Set 4.1: A 16 CYS SG : rot -152:sc= 2.09 USER MOD Set 4.2: A 19 CYS SG : rot -130:sc= 0.321 USER MOD Set 4.3: A 49 CYS SG : rot -58:sc= 1.48 USER MOD Set 4.4: A 52 CYS SG : rot 20:sc= 1.99 USER MOD Set 5.1: A 8 GLN : amide:sc= 0.889 K(o=1.9,f=0.6) USER MOD Set 5.2: A 10 HIS : no HE2:sc= 1.01 K(o=1.9,f=-3.9!) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.21) USER MOD Single : A 14 CYS SG : rot 84:sc= -0.869 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.202 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.0055) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 54 THR OG1 : rot 100:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= 0.973 K(o=0.97,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 8.987 -3.164 -1.584 1.00 0.00 N ATOM 93 CA GLN A 8 7.881 -2.777 -2.444 1.00 0.00 C ATOM 94 C GLN A 8 6.834 -1.933 -1.740 1.00 0.00 C ATOM 95 O GLN A 8 5.638 -2.218 -1.698 1.00 0.00 O ATOM 96 CB GLN A 8 7.326 -4.011 -3.116 1.00 0.00 C ATOM 97 CG GLN A 8 8.318 -4.673 -4.068 1.00 0.00 C ATOM 98 CD GLN A 8 9.247 -3.739 -4.847 1.00 0.00 C ATOM 99 OE1 GLN A 8 10.459 -3.801 -4.691 1.00 0.00 O ATOM 100 NE2 GLN A 8 8.715 -2.855 -5.683 1.00 0.00 N ATOM 0 HA GLN A 8 8.257 -2.108 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.029 -4.730 -2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.426 -3.742 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.934 -5.364 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.755 -5.270 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.703 -2.813 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.318 -2.218 -6.204 1.00 0.00 H new ATOM 109 N ARG A 9 7.375 -0.831 -1.246 1.00 0.00 N ATOM 110 CA ARG A 9 6.693 0.347 -0.730 1.00 0.00 C ATOM 111 C ARG A 9 5.964 1.020 -1.885 1.00 0.00 C ATOM 112 O ARG A 9 6.521 1.865 -2.592 1.00 0.00 O ATOM 113 CB ARG A 9 7.713 1.227 -0.014 1.00 0.00 C ATOM 114 CG ARG A 9 7.127 2.492 0.622 1.00 0.00 C ATOM 115 CD ARG A 9 7.574 3.783 -0.072 1.00 0.00 C ATOM 116 NE ARG A 9 9.042 3.897 -0.074 1.00 0.00 N ATOM 117 CZ ARG A 9 9.864 3.764 -1.123 1.00 0.00 C ATOM 118 NH1 ARG A 9 9.382 3.661 -2.365 1.00 0.00 N ATOM 119 NH2 ARG A 9 11.177 3.695 -0.921 1.00 0.00 N ATOM 0 H ARG A 9 8.388 -0.728 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 9 5.933 0.105 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.200 0.638 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.486 1.518 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.039 2.432 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.420 2.532 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.203 3.797 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.139 4.643 0.437 1.00 0.00 H new ATOM 0 HE ARG A 9 9.482 4.100 0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.375 3.683 -2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.021 3.560 -3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.550 3.743 0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.810 3.594 -1.714 1.00 0.00 H new ATOM 133 N HIS A 10 4.731 0.568 -2.088 1.00 0.00 N ATOM 134 CA HIS A 10 3.833 0.950 -3.172 1.00 0.00 C ATOM 135 C HIS A 10 2.730 1.886 -2.658 1.00 0.00 C ATOM 136 O HIS A 10 2.599 2.120 -1.457 1.00 0.00 O ATOM 137 CB HIS A 10 3.229 -0.314 -3.811 1.00 0.00 C ATOM 138 CG HIS A 10 4.177 -1.203 -4.587 1.00 0.00 C ATOM 139 ND1 HIS A 10 3.819 -2.390 -5.187 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.497 -0.975 -4.888 1.00 0.00 C ATOM 141 CE1 HIS A 10 4.896 -2.859 -5.840 1.00 0.00 C ATOM 142 NE2 HIS A 10 5.943 -2.032 -5.689 1.00 0.00 N ATOM 0 H HIS A 10 4.306 -0.116 -1.462 1.00 0.00 H new ATOM 0 HA HIS A 10 4.399 1.491 -3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.774 -0.910 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.426 -0.006 -4.481 1.00 0.00 H new ATOM 0 HD1 HIS A 10 2.901 -2.833 -5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.086 -0.130 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.917 -3.777 -6.409 1.00 0.00 H new ATOM 150 N LYS A 11 1.917 2.415 -3.583 1.00 0.00 N ATOM 151 CA LYS A 11 0.747 3.243 -3.305 1.00 0.00 C ATOM 152 C LYS A 11 -0.432 2.659 -4.080 1.00 0.00 C ATOM 153 O LYS A 11 -0.592 2.933 -5.268 1.00 0.00 O ATOM 154 CB LYS A 11 1.014 4.710 -3.667 1.00 0.00 C ATOM 155 CG LYS A 11 2.018 5.399 -2.719 1.00 0.00 C ATOM 156 CD LYS A 11 3.307 5.865 -3.414 1.00 0.00 C ATOM 157 CE LYS A 11 3.092 6.955 -4.476 1.00 0.00 C ATOM 158 NZ LYS A 11 2.505 8.191 -3.917 1.00 0.00 N ATOM 0 H LYS A 11 2.066 2.269 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 11 0.515 3.236 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.394 4.762 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.072 5.259 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.535 6.259 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.278 4.709 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.998 6.240 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.784 5.005 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.047 7.192 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.439 6.570 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.366 8.885 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.588 7.972 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.147 8.587 -3.201 1.00 0.00 H new ATOM 172 N ILE A 12 -1.209 1.794 -3.427 1.00 0.00 N ATOM 173 CA ILE A 12 -2.289 1.034 -4.042 1.00 0.00 C ATOM 174 C ILE A 12 -3.581 1.813 -3.808 1.00 0.00 C ATOM 175 O ILE A 12 -4.149 1.795 -2.723 1.00 0.00 O ATOM 176 CB ILE A 12 -2.355 -0.412 -3.496 1.00 0.00 C ATOM 177 CG1 ILE A 12 -0.972 -1.106 -3.531 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.406 -1.195 -4.307 1.00 0.00 C ATOM 179 CD1 ILE A 12 -0.974 -2.472 -2.843 1.00 0.00 C ATOM 0 H ILE A 12 -1.099 1.600 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.119 0.922 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.651 -0.387 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.658 -1.227 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.236 -0.463 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.465 -2.218 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.379 -0.714 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.119 -1.208 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.023 -2.909 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.259 -2.352 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.687 -3.129 -3.341 1.00 0.00 H new ATOM 191 N LEU A 13 -4.037 2.545 -4.814 1.00 0.00 N ATOM 192 CA LEU A 13 -5.289 3.271 -4.778 1.00 0.00 C ATOM 193 C LEU A 13 -6.448 2.282 -4.721 1.00 0.00 C ATOM 194 O LEU A 13 -6.710 1.580 -5.697 1.00 0.00 O ATOM 195 CB LEU A 13 -5.373 4.213 -5.982 1.00 0.00 C ATOM 196 CG LEU A 13 -6.561 5.192 -5.871 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.127 6.527 -6.475 1.00 0.00 C ATOM 198 CD2 LEU A 13 -7.826 4.701 -6.586 1.00 0.00 C ATOM 0 H LEU A 13 -3.533 2.650 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.347 3.890 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.445 4.778 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.472 3.626 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.820 5.283 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.949 7.240 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.268 6.913 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.854 6.382 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.620 5.438 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.614 4.563 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.143 3.752 -6.153 1.00 0.00 H new ATOM 210 N CYS A 14 -7.147 2.256 -3.587 1.00 0.00 N ATOM 211 CA CYS A 14 -8.489 1.703 -3.493 1.00 0.00 C ATOM 212 C CYS A 14 -9.515 2.824 -3.309 1.00 0.00 C ATOM 213 O CYS A 14 -9.188 4.010 -3.416 1.00 0.00 O ATOM 214 CB CYS A 14 -8.543 0.631 -2.396 1.00 0.00 C ATOM 215 SG CYS A 14 -8.703 1.279 -0.712 1.00 0.00 S ATOM 0 H CYS A 14 -6.792 2.622 -2.704 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.752 1.202 -4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.384 -0.033 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.638 0.026 -2.453 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.955 1.516 -0.455 1.00 0.00 H new ATOM 221 N VAL A 15 -10.759 2.450 -3.001 1.00 0.00 N ATOM 222 CA VAL A 15 -11.759 3.374 -2.492 1.00 0.00 C ATOM 223 C VAL A 15 -12.323 2.852 -1.168 1.00 0.00 C ATOM 224 O VAL A 15 -12.137 1.683 -0.819 1.00 0.00 O ATOM 225 CB VAL A 15 -12.863 3.654 -3.538 1.00 0.00 C ATOM 226 CG1 VAL A 15 -12.301 4.370 -4.774 1.00 0.00 C ATOM 227 CG2 VAL A 15 -13.620 2.389 -3.974 1.00 0.00 C ATOM 0 H VAL A 15 -11.096 1.492 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.283 4.335 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.577 4.307 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.105 4.550 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.861 5.321 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.537 3.747 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.380 2.655 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.920 1.680 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -14.097 1.933 -3.106 1.00 0.00 H new ATOM 237 N CYS A 16 -13.023 3.729 -0.448 1.00 0.00 N ATOM 238 CA CYS A 16 -13.971 3.385 0.595 1.00 0.00 C ATOM 239 C CYS A 16 -15.167 2.709 -0.071 1.00 0.00 C ATOM 240 O CYS A 16 -15.797 3.300 -0.939 1.00 0.00 O ATOM 241 CB CYS A 16 -14.426 4.667 1.300 1.00 0.00 C ATOM 242 SG CYS A 16 -15.569 4.279 2.652 1.00 0.00 S ATOM 0 H CYS A 16 -12.937 4.736 -0.586 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.520 2.718 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.560 5.201 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.912 5.329 0.584 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.368 5.286 2.847 1.00 0.00 H new ATOM 247 N CYS A 17 -15.509 1.499 0.355 1.00 0.00 N ATOM 248 CA CYS A 17 -16.520 0.646 -0.267 1.00 0.00 C ATOM 249 C CYS A 17 -17.952 1.214 -0.229 1.00 0.00 C ATOM 250 O CYS A 17 -18.852 0.583 -0.783 1.00 0.00 O ATOM 251 CB CYS A 17 -16.479 -0.724 0.429 1.00 0.00 C ATOM 252 SG CYS A 17 -17.253 -1.989 -0.619 1.00 0.00 S ATOM 0 H CYS A 17 -15.076 1.068 1.172 1.00 0.00 H new ATOM 0 HA CYS A 17 -16.273 0.575 -1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.446 -1.001 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -16.997 -0.669 1.386 1.00 0.00 H new ATOM 0 HG CYS A 17 -18.322 -1.499 -1.173 1.00 0.00 H new ATOM 258 N LYS A 18 -18.197 2.333 0.470 1.00 0.00 N ATOM 259 CA LYS A 18 -19.535 2.815 0.767 1.00 0.00 C ATOM 260 C LYS A 18 -19.750 4.325 0.616 1.00 0.00 C ATOM 261 O LYS A 18 -20.892 4.770 0.700 1.00 0.00 O ATOM 262 CB LYS A 18 -19.873 2.345 2.176 1.00 0.00 C ATOM 263 CG LYS A 18 -18.958 2.910 3.276 1.00 0.00 C ATOM 264 CD LYS A 18 -19.542 2.563 4.645 1.00 0.00 C ATOM 265 CE LYS A 18 -19.265 1.102 5.034 1.00 0.00 C ATOM 266 NZ LYS A 18 -20.019 0.707 6.241 1.00 0.00 N ATOM 0 H LYS A 18 -17.457 2.927 0.844 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.208 2.399 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.903 2.623 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.823 1.256 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.955 2.495 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.867 3.991 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.118 3.226 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.618 2.738 4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.535 0.447 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.198 0.968 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.380 0.230 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.421 1.554 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.787 0.059 5.974 1.00 0.00 H new ATOM 280 N CYS A 19 -18.694 5.118 0.403 1.00 0.00 N ATOM 281 CA CYS A 19 -18.769 6.504 -0.011 1.00 0.00 C ATOM 282 C CYS A 19 -17.878 6.747 -1.230 1.00 0.00 C ATOM 283 O CYS A 19 -17.747 7.886 -1.675 1.00 0.00 O ATOM 284 CB CYS A 19 -18.314 7.381 1.145 1.00 0.00 C ATOM 285 SG CYS A 19 -16.543 7.361 1.532 1.00 0.00 S ATOM 0 H CYS A 19 -17.735 4.791 0.521 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.796 6.747 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.603 8.409 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.861 7.078 2.038 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.379 7.161 2.806 1.00 0.00 H new ATOM 290 N ASP A 20 -17.230 5.681 -1.715 1.00 0.00 N ATOM 291 CA ASP A 20 -16.390 5.601 -2.887 1.00 0.00 C ATOM 292 C ASP A 20 -15.271 6.646 -2.878 1.00 0.00 C ATOM 293 O ASP A 20 -14.778 7.082 -3.918 1.00 0.00 O ATOM 294 CB ASP A 20 -17.292 5.538 -4.112 1.00 0.00 C ATOM 295 CG ASP A 20 -18.095 4.232 -4.197 1.00 0.00 C ATOM 296 OD1 ASP A 20 -18.787 3.901 -3.205 1.00 0.00 O ATOM 297 OD2 ASP A 20 -17.987 3.566 -5.250 1.00 0.00 O ATOM 0 H ASP A 20 -17.295 4.778 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.805 4.682 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.982 6.382 -4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.684 5.644 -5.010 1.00 0.00 H new ATOM 302 N GLY A 21 -14.836 7.015 -1.667 1.00 0.00 N ATOM 303 CA GLY A 21 -13.785 7.996 -1.472 1.00 0.00 C ATOM 304 C GLY A 21 -12.439 7.344 -1.721 1.00 0.00 C ATOM 305 O GLY A 21 -12.218 6.198 -1.348 1.00 0.00 O ATOM 0 H GLY A 21 -15.210 6.635 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.926 8.837 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.827 8.394 -0.458 1.00 0.00 H new ATOM 309 N ARG A 22 -11.543 8.099 -2.338 1.00 0.00 N ATOM 310 CA ARG A 22 -10.252 7.666 -2.872 1.00 0.00 C ATOM 311 C ARG A 22 -9.276 7.362 -1.737 1.00 0.00 C ATOM 312 O ARG A 22 -8.975 8.284 -0.977 1.00 0.00 O ATOM 313 CB ARG A 22 -9.767 8.817 -3.769 1.00 0.00 C ATOM 314 CG ARG A 22 -8.428 8.599 -4.481 1.00 0.00 C ATOM 315 CD ARG A 22 -7.262 9.320 -3.789 1.00 0.00 C ATOM 316 NE ARG A 22 -6.098 9.398 -4.685 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.829 9.606 -4.314 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.505 9.964 -3.076 1.00 0.00 N ATOM 319 NH2 ARG A 22 -3.834 9.415 -5.174 1.00 0.00 N ATOM 0 H ARG A 22 -11.704 9.094 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.330 6.742 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.530 9.008 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.689 9.717 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.214 7.531 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.507 8.950 -5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.570 10.324 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.990 8.791 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.275 9.283 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.234 10.089 -2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.527 10.114 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.034 9.107 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.870 9.576 -4.882 1.00 0.00 H new ATOM 333 N ILE A 23 -8.742 6.132 -1.622 1.00 0.00 N ATOM 334 CA ILE A 23 -7.780 5.813 -0.570 1.00 0.00 C ATOM 335 C ILE A 23 -6.497 5.305 -1.234 1.00 0.00 C ATOM 336 O ILE A 23 -6.452 4.188 -1.740 1.00 0.00 O ATOM 337 CB ILE A 23 -8.354 4.793 0.438 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.718 5.199 1.041 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.323 4.575 1.557 1.00 0.00 C ATOM 340 CD1 ILE A 23 -10.381 4.072 1.844 1.00 0.00 C ATOM 0 H ILE A 23 -8.963 5.354 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.557 6.709 0.010 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.543 3.871 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.579 6.065 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.387 5.506 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.714 3.857 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.397 4.192 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.126 5.522 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.335 4.420 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.550 3.213 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.730 3.781 2.668 1.00 0.00 H new ATOM 352 N GLU A 24 -5.443 6.120 -1.230 1.00 0.00 N ATOM 353 CA GLU A 24 -4.117 5.735 -1.700 1.00 0.00 C ATOM 354 C GLU A 24 -3.406 4.927 -0.609 1.00 0.00 C ATOM 355 O GLU A 24 -2.776 5.501 0.284 1.00 0.00 O ATOM 356 CB GLU A 24 -3.384 7.013 -2.119 1.00 0.00 C ATOM 357 CG GLU A 24 -1.977 6.787 -2.683 1.00 0.00 C ATOM 358 CD GLU A 24 -1.294 8.078 -3.167 1.00 0.00 C ATOM 359 OE1 GLU A 24 -1.976 9.125 -3.303 1.00 0.00 O ATOM 360 OE2 GLU A 24 -0.081 8.004 -3.461 1.00 0.00 O ATOM 0 H GLU A 24 -5.489 7.082 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.155 5.081 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.983 7.530 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.313 7.675 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.357 6.323 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.036 6.083 -3.513 1.00 0.00 H new ATOM 367 N LEU A 25 -3.535 3.593 -0.657 1.00 0.00 N ATOM 368 CA LEU A 25 -2.937 2.685 0.316 1.00 0.00 C ATOM 369 C LEU A 25 -1.419 2.695 0.130 1.00 0.00 C ATOM 370 O LEU A 25 -0.880 1.931 -0.671 1.00 0.00 O ATOM 371 CB LEU A 25 -3.476 1.242 0.208 1.00 0.00 C ATOM 372 CG LEU A 25 -5.005 1.089 0.191 1.00 0.00 C ATOM 373 CD1 LEU A 25 -5.370 -0.366 -0.132 1.00 0.00 C ATOM 374 CD2 LEU A 25 -5.595 1.458 1.556 1.00 0.00 C ATOM 0 H LEU A 25 -4.066 3.114 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.208 3.039 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.077 0.794 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.083 0.666 1.046 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.413 1.756 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.454 -0.475 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.967 -0.634 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.948 -1.024 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.679 1.344 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.182 0.801 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.345 2.492 1.793 1.00 0.00 H new ATOM 386 N THR A 26 -0.725 3.586 0.834 1.00 0.00 N ATOM 387 CA THR A 26 0.730 3.592 0.873 1.00 0.00 C ATOM 388 C THR A 26 1.160 2.429 1.770 1.00 0.00 C ATOM 389 O THR A 26 1.045 2.533 2.990 1.00 0.00 O ATOM 390 CB THR A 26 1.235 4.963 1.341 1.00 0.00 C ATOM 391 OG1 THR A 26 0.706 5.959 0.483 1.00 0.00 O ATOM 392 CG2 THR A 26 2.766 5.043 1.296 1.00 0.00 C ATOM 0 H THR A 26 -1.157 4.322 1.392 1.00 0.00 H new ATOM 0 HA THR A 26 1.174 3.444 -0.112 1.00 0.00 H new ATOM 0 HB THR A 26 0.911 5.115 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.020 6.841 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.089 6.028 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.190 4.279 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.109 4.880 0.274 1.00 0.00 H new ATOM 400 N VAL A 27 1.566 1.305 1.168 1.00 0.00 N ATOM 401 CA VAL A 27 1.879 0.060 1.867 1.00 0.00 C ATOM 402 C VAL A 27 3.069 -0.612 1.192 1.00 0.00 C ATOM 403 O VAL A 27 3.304 -0.435 -0.002 1.00 0.00 O ATOM 404 CB VAL A 27 0.663 -0.899 1.907 1.00 0.00 C ATOM 405 CG1 VAL A 27 -0.507 -0.306 2.707 1.00 0.00 C ATOM 406 CG2 VAL A 27 0.157 -1.323 0.515 1.00 0.00 C ATOM 0 H VAL A 27 1.688 1.238 0.158 1.00 0.00 H new ATOM 0 HA VAL A 27 2.131 0.300 2.900 1.00 0.00 H new ATOM 0 HB VAL A 27 1.036 -1.792 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.339 -1.010 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.188 -0.116 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.825 0.630 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.695 -1.994 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.147 -0.440 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.955 -1.836 -0.021 1.00 0.00 H new ATOM 416 N GLU A 28 3.804 -1.416 1.947 1.00 0.00 N ATOM 417 CA GLU A 28 5.037 -2.049 1.538 1.00 0.00 C ATOM 418 C GLU A 28 4.744 -3.536 1.501 1.00 0.00 C ATOM 419 O GLU A 28 4.356 -4.135 2.507 1.00 0.00 O ATOM 420 CB GLU A 28 6.210 -1.676 2.450 1.00 0.00 C ATOM 421 CG GLU A 28 6.238 -0.233 2.975 1.00 0.00 C ATOM 422 CD GLU A 28 5.551 -0.097 4.343 1.00 0.00 C ATOM 423 OE1 GLU A 28 4.323 -0.338 4.412 1.00 0.00 O ATOM 424 OE2 GLU A 28 6.271 0.245 5.307 1.00 0.00 O ATOM 0 H GLU A 28 3.540 -1.652 2.904 1.00 0.00 H new ATOM 0 HA GLU A 28 5.360 -1.705 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.204 -2.350 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.137 -1.859 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.272 0.102 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.745 0.422 2.257 1.00 0.00 H new ATOM 431 N SER A 29 4.706 -4.096 0.297 1.00 0.00 N ATOM 432 CA SER A 29 4.061 -5.355 0.053 1.00 0.00 C ATOM 433 C SER A 29 4.700 -5.981 -1.175 1.00 0.00 C ATOM 434 O SER A 29 4.636 -5.454 -2.287 1.00 0.00 O ATOM 435 CB SER A 29 2.593 -5.071 -0.157 1.00 0.00 C ATOM 436 OG SER A 29 2.012 -4.509 1.009 1.00 0.00 O ATOM 0 H SER A 29 5.127 -3.678 -0.532 1.00 0.00 H new ATOM 0 HA SER A 29 4.170 -6.053 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.468 -4.387 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.074 -5.993 -0.418 1.00 0.00 H new ATOM 0 HG SER A 29 1.062 -4.332 0.848 1.00 0.00 H new ATOM 442 N SER A 30 5.392 -7.080 -0.911 1.00 0.00 N ATOM 443 CA SER A 30 6.284 -7.768 -1.843 1.00 0.00 C ATOM 444 C SER A 30 5.468 -8.455 -2.935 1.00 0.00 C ATOM 445 O SER A 30 4.311 -8.776 -2.704 1.00 0.00 O ATOM 446 CB SER A 30 7.120 -8.785 -1.065 1.00 0.00 C ATOM 447 OG SER A 30 7.971 -8.103 -0.166 1.00 0.00 O ATOM 0 H SER A 30 5.347 -7.540 -0.002 1.00 0.00 H new ATOM 0 HA SER A 30 6.950 -7.050 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.468 -9.467 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.710 -9.390 -1.753 1.00 0.00 H new ATOM 0 HG SER A 30 8.506 -8.753 0.335 1.00 0.00 H new ATOM 453 N ALA A 31 6.056 -8.720 -4.107 1.00 0.00 N ATOM 454 CA ALA A 31 5.306 -9.104 -5.305 1.00 0.00 C ATOM 455 C ALA A 31 4.349 -10.292 -5.101 1.00 0.00 C ATOM 456 O ALA A 31 3.246 -10.276 -5.648 1.00 0.00 O ATOM 457 CB ALA A 31 6.285 -9.397 -6.446 1.00 0.00 C ATOM 0 H ALA A 31 7.065 -8.674 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 31 4.666 -8.257 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.728 -9.683 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.875 -8.505 -6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.949 -10.211 -6.156 1.00 0.00 H new ATOM 463 N GLU A 32 4.754 -11.299 -4.320 1.00 0.00 N ATOM 464 CA GLU A 32 3.956 -12.484 -4.008 1.00 0.00 C ATOM 465 C GLU A 32 2.752 -12.111 -3.133 1.00 0.00 C ATOM 466 O GLU A 32 1.606 -12.346 -3.511 1.00 0.00 O ATOM 467 CB GLU A 32 4.848 -13.523 -3.309 1.00 0.00 C ATOM 468 CG GLU A 32 5.938 -14.065 -4.246 1.00 0.00 C ATOM 469 CD GLU A 32 6.918 -14.962 -3.490 1.00 0.00 C ATOM 470 OE1 GLU A 32 7.853 -14.390 -2.887 1.00 0.00 O ATOM 471 OE2 GLU A 32 6.716 -16.195 -3.525 1.00 0.00 O ATOM 0 H GLU A 32 5.672 -11.310 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 32 3.568 -12.914 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.314 -13.071 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.232 -14.349 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.477 -14.628 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.477 -13.234 -4.700 1.00 0.00 H new ATOM 478 N ASP A 33 3.019 -11.482 -1.986 1.00 0.00 N ATOM 479 CA ASP A 33 2.038 -10.946 -1.042 1.00 0.00 C ATOM 480 C ASP A 33 1.100 -9.937 -1.721 1.00 0.00 C ATOM 481 O ASP A 33 -0.109 -9.946 -1.499 1.00 0.00 O ATOM 482 CB ASP A 33 2.831 -10.321 0.117 1.00 0.00 C ATOM 483 CG ASP A 33 2.044 -9.279 0.908 1.00 0.00 C ATOM 484 OD1 ASP A 33 1.057 -9.671 1.566 1.00 0.00 O ATOM 485 OD2 ASP A 33 2.479 -8.107 0.847 1.00 0.00 O ATOM 0 H ASP A 33 3.978 -11.325 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 33 1.387 -11.735 -0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.152 -11.112 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.733 -9.857 -0.281 1.00 0.00 H new ATOM 490 N LEU A 34 1.640 -9.123 -2.629 1.00 0.00 N ATOM 491 CA LEU A 34 0.910 -8.169 -3.441 1.00 0.00 C ATOM 492 C LEU A 34 -0.044 -8.920 -4.358 1.00 0.00 C ATOM 493 O LEU A 34 -1.193 -8.519 -4.495 1.00 0.00 O ATOM 494 CB LEU A 34 1.894 -7.301 -4.241 1.00 0.00 C ATOM 495 CG LEU A 34 1.220 -6.241 -5.133 1.00 0.00 C ATOM 496 CD1 LEU A 34 0.516 -5.166 -4.300 1.00 0.00 C ATOM 497 CD2 LEU A 34 2.286 -5.582 -6.016 1.00 0.00 C ATOM 0 H LEU A 34 2.642 -9.116 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 34 0.325 -7.505 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.567 -6.800 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.507 -7.949 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 34 0.467 -6.738 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.053 -4.436 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.251 -5.630 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.244 -4.665 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.818 -4.830 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.038 -5.108 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.761 -6.339 -6.640 1.00 0.00 H new ATOM 509 N ARG A 35 0.403 -10.021 -4.970 1.00 0.00 N ATOM 510 CA ARG A 35 -0.450 -10.900 -5.760 1.00 0.00 C ATOM 511 C ARG A 35 -1.566 -11.485 -4.888 1.00 0.00 C ATOM 512 O ARG A 35 -2.711 -11.534 -5.333 1.00 0.00 O ATOM 513 CB ARG A 35 0.404 -12.038 -6.358 1.00 0.00 C ATOM 514 CG ARG A 35 0.275 -12.177 -7.877 1.00 0.00 C ATOM 515 CD ARG A 35 1.050 -11.057 -8.581 1.00 0.00 C ATOM 516 NE ARG A 35 1.046 -11.234 -10.043 1.00 0.00 N ATOM 517 CZ ARG A 35 1.782 -10.534 -10.917 1.00 0.00 C ATOM 518 NH1 ARG A 35 2.601 -9.569 -10.493 1.00 0.00 N ATOM 519 NH2 ARG A 35 1.698 -10.803 -12.221 1.00 0.00 N ATOM 0 H ARG A 35 1.376 -10.325 -4.928 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.907 -10.325 -6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.450 -11.865 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.115 -12.980 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.657 -13.148 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.776 -12.138 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.608 -10.093 -8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.078 -11.041 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 35 0.429 -11.952 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.670 -9.360 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.158 -9.041 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.075 -11.540 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.257 -10.272 -12.888 1.00 0.00 H new ATOM 533 N THR A 36 -1.264 -11.912 -3.658 1.00 0.00 N ATOM 534 CA THR A 36 -2.284 -12.391 -2.732 1.00 0.00 C ATOM 535 C THR A 36 -3.293 -11.278 -2.435 1.00 0.00 C ATOM 536 O THR A 36 -4.489 -11.482 -2.635 1.00 0.00 O ATOM 537 CB THR A 36 -1.647 -12.941 -1.444 1.00 0.00 C ATOM 538 OG1 THR A 36 -0.565 -13.797 -1.751 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.663 -13.731 -0.612 1.00 0.00 C ATOM 0 H THR A 36 -0.316 -11.934 -3.283 1.00 0.00 H new ATOM 0 HA THR A 36 -2.821 -13.216 -3.200 1.00 0.00 H new ATOM 0 HB THR A 36 -1.297 -12.083 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.171 -14.136 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.181 -14.106 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.493 -13.080 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.039 -14.570 -1.198 1.00 0.00 H new ATOM 547 N LEU A 37 -2.845 -10.099 -1.985 1.00 0.00 N ATOM 548 CA LEU A 37 -3.766 -9.032 -1.589 1.00 0.00 C ATOM 549 C LEU A 37 -4.523 -8.453 -2.793 1.00 0.00 C ATOM 550 O LEU A 37 -5.684 -8.074 -2.648 1.00 0.00 O ATOM 551 CB LEU A 37 -3.056 -7.987 -0.703 1.00 0.00 C ATOM 552 CG LEU A 37 -2.216 -6.913 -1.425 1.00 0.00 C ATOM 553 CD1 LEU A 37 -3.049 -5.673 -1.782 1.00 0.00 C ATOM 554 CD2 LEU A 37 -1.039 -6.466 -0.546 1.00 0.00 C ATOM 0 H LEU A 37 -1.857 -9.863 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.547 -9.458 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.813 -7.480 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.404 -8.518 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.851 -7.371 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.417 -4.944 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.868 -5.962 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.454 -5.232 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.459 -5.708 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.419 -6.049 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.402 -7.323 -0.327 1.00 0.00 H new ATOM 566 N GLN A 38 -3.921 -8.469 -3.992 1.00 0.00 N ATOM 567 CA GLN A 38 -4.562 -8.194 -5.267 1.00 0.00 C ATOM 568 C GLN A 38 -5.740 -9.138 -5.418 1.00 0.00 C ATOM 569 O GLN A 38 -6.851 -8.705 -5.697 1.00 0.00 O ATOM 570 CB GLN A 38 -3.514 -8.409 -6.379 1.00 0.00 C ATOM 571 CG GLN A 38 -4.010 -8.455 -7.830 1.00 0.00 C ATOM 572 CD GLN A 38 -4.436 -7.079 -8.317 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.551 -6.872 -8.774 1.00 0.00 O ATOM 574 NE2 GLN A 38 -3.524 -6.119 -8.226 1.00 0.00 N ATOM 0 H GLN A 38 -2.929 -8.685 -4.093 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.932 -7.171 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.776 -7.611 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.994 -9.345 -6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.220 -8.841 -8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.850 -9.145 -7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.603 -6.326 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.744 -5.175 -8.542 1.00 0.00 H new ATOM 583 N GLN A 39 -5.492 -10.432 -5.228 1.00 0.00 N ATOM 584 CA GLN A 39 -6.481 -11.469 -5.459 1.00 0.00 C ATOM 585 C GLN A 39 -7.582 -11.425 -4.400 1.00 0.00 C ATOM 586 O GLN A 39 -8.741 -11.667 -4.726 1.00 0.00 O ATOM 587 CB GLN A 39 -5.782 -12.812 -5.554 1.00 0.00 C ATOM 588 CG GLN A 39 -5.128 -12.750 -6.939 1.00 0.00 C ATOM 589 CD GLN A 39 -4.083 -13.795 -7.186 1.00 0.00 C ATOM 590 OE1 GLN A 39 -4.023 -14.858 -6.580 1.00 0.00 O ATOM 591 NE2 GLN A 39 -3.234 -13.474 -8.140 1.00 0.00 N ATOM 0 H GLN A 39 -4.591 -10.787 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.988 -11.298 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.044 -12.942 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.485 -13.641 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.905 -12.847 -7.697 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.676 -11.766 -7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.320 -12.578 -8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.490 -14.122 -8.400 1.00 0.00 H new ATOM 600 N LEU A 40 -7.245 -11.049 -3.160 1.00 0.00 N ATOM 601 CA LEU A 40 -8.226 -10.764 -2.119 1.00 0.00 C ATOM 602 C LEU A 40 -9.112 -9.584 -2.525 1.00 0.00 C ATOM 603 O LEU A 40 -10.335 -9.722 -2.458 1.00 0.00 O ATOM 604 CB LEU A 40 -7.557 -10.498 -0.759 1.00 0.00 C ATOM 605 CG LEU A 40 -6.867 -11.719 -0.116 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.207 -11.292 1.202 1.00 0.00 C ATOM 607 CD2 LEU A 40 -7.843 -12.872 0.158 1.00 0.00 C ATOM 0 H LEU A 40 -6.278 -10.935 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.851 -11.650 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.817 -9.707 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.312 -10.122 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.122 -12.083 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.718 -12.152 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.467 -10.517 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.967 -10.903 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.305 -13.705 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.625 -12.533 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.294 -13.198 -0.779 1.00 0.00 H new ATOM 619 N PHE A 41 -8.527 -8.451 -2.949 1.00 0.00 N ATOM 620 CA PHE A 41 -9.300 -7.296 -3.420 1.00 0.00 C ATOM 621 C PHE A 41 -10.115 -7.640 -4.676 1.00 0.00 C ATOM 622 O PHE A 41 -11.226 -7.142 -4.836 1.00 0.00 O ATOM 623 CB PHE A 41 -8.394 -6.073 -3.662 1.00 0.00 C ATOM 624 CG PHE A 41 -8.222 -5.119 -2.482 1.00 0.00 C ATOM 625 CD1 PHE A 41 -9.247 -4.206 -2.153 1.00 0.00 C ATOM 626 CD2 PHE A 41 -7.011 -5.068 -1.763 1.00 0.00 C ATOM 627 CE1 PHE A 41 -9.051 -3.243 -1.147 1.00 0.00 C ATOM 628 CE2 PHE A 41 -6.813 -4.106 -0.758 1.00 0.00 C ATOM 629 CZ PHE A 41 -7.828 -3.184 -0.463 1.00 0.00 C ATOM 0 H PHE A 41 -7.517 -8.313 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.005 -7.034 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.408 -6.430 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.797 -5.509 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.190 -4.247 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.227 -5.776 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -9.842 -2.549 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.881 -4.077 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.668 -2.428 0.291 1.00 0.00 H new ATOM 639 N LEU A 42 -9.590 -8.500 -5.557 1.00 0.00 N ATOM 640 CA LEU A 42 -10.284 -8.968 -6.754 1.00 0.00 C ATOM 641 C LEU A 42 -11.465 -9.871 -6.378 1.00 0.00 C ATOM 642 O LEU A 42 -12.506 -9.819 -7.028 1.00 0.00 O ATOM 643 CB LEU A 42 -9.248 -9.670 -7.650 1.00 0.00 C ATOM 644 CG LEU A 42 -9.765 -10.156 -9.019 1.00 0.00 C ATOM 645 CD1 LEU A 42 -8.618 -10.103 -10.040 1.00 0.00 C ATOM 646 CD2 LEU A 42 -10.285 -11.602 -8.969 1.00 0.00 C ATOM 0 H LEU A 42 -8.655 -8.894 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.718 -8.136 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.418 -8.984 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.849 -10.527 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.589 -9.501 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.978 -10.446 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.257 -9.078 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.804 -10.747 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.637 -11.896 -9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.480 -12.268 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.107 -11.669 -8.256 1.00 0.00 H new ATOM 658 N SER A 43 -11.293 -10.699 -5.344 1.00 0.00 N ATOM 659 CA SER A 43 -12.290 -11.620 -4.823 1.00 0.00 C ATOM 660 C SER A 43 -13.423 -10.885 -4.109 1.00 0.00 C ATOM 661 O SER A 43 -14.573 -10.942 -4.545 1.00 0.00 O ATOM 662 CB SER A 43 -11.593 -12.601 -3.860 1.00 0.00 C ATOM 663 OG SER A 43 -12.512 -13.400 -3.129 1.00 0.00 O ATOM 0 H SER A 43 -10.414 -10.743 -4.829 1.00 0.00 H new ATOM 0 HA SER A 43 -12.739 -12.162 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.927 -13.250 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.972 -12.039 -3.162 1.00 0.00 H new ATOM 0 HG SER A 43 -12.793 -12.920 -2.322 1.00 0.00 H new ATOM 669 N THR A 44 -13.105 -10.299 -2.953 1.00 0.00 N ATOM 670 CA THR A 44 -14.066 -9.956 -1.922 1.00 0.00 C ATOM 671 C THR A 44 -13.648 -8.812 -1.000 1.00 0.00 C ATOM 672 O THR A 44 -14.511 -8.103 -0.485 1.00 0.00 O ATOM 673 CB THR A 44 -14.322 -11.199 -1.042 1.00 0.00 C ATOM 674 OG1 THR A 44 -13.149 -11.981 -0.858 1.00 0.00 O ATOM 675 CG2 THR A 44 -15.410 -12.099 -1.613 1.00 0.00 C ATOM 0 H THR A 44 -12.147 -10.047 -2.709 1.00 0.00 H new ATOM 0 HA THR A 44 -14.955 -9.619 -2.456 1.00 0.00 H new ATOM 0 HB THR A 44 -14.648 -10.803 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.357 -12.755 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.552 -12.959 -0.958 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.343 -11.540 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.114 -12.443 -2.604 1.00 0.00 H new ATOM 683 N LEU A 45 -12.347 -8.670 -0.740 1.00 0.00 N ATOM 684 CA LEU A 45 -11.818 -7.667 0.173 1.00 0.00 C ATOM 685 C LEU A 45 -12.112 -6.270 -0.376 1.00 0.00 C ATOM 686 O LEU A 45 -11.765 -5.960 -1.512 1.00 0.00 O ATOM 687 CB LEU A 45 -10.311 -7.896 0.372 1.00 0.00 C ATOM 688 CG LEU A 45 -9.594 -6.900 1.303 1.00 0.00 C ATOM 689 CD1 LEU A 45 -10.138 -6.959 2.737 1.00 0.00 C ATOM 690 CD2 LEU A 45 -8.095 -7.235 1.306 1.00 0.00 C ATOM 0 H LEU A 45 -11.628 -9.256 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.301 -7.753 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.165 -8.901 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.827 -7.864 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.768 -5.890 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.604 -6.240 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.201 -6.716 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.996 -7.962 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.568 -6.540 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.951 -8.253 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.701 -7.149 0.293 1.00 0.00 H new ATOM 702 N SER A 46 -12.689 -5.416 0.465 1.00 0.00 N ATOM 703 CA SER A 46 -12.825 -3.991 0.227 1.00 0.00 C ATOM 704 C SER A 46 -12.409 -3.271 1.506 1.00 0.00 C ATOM 705 O SER A 46 -12.273 -3.893 2.561 1.00 0.00 O ATOM 706 CB SER A 46 -14.264 -3.646 -0.168 1.00 0.00 C ATOM 707 OG SER A 46 -14.636 -4.268 -1.377 1.00 0.00 O ATOM 0 H SER A 46 -13.086 -5.711 1.357 1.00 0.00 H new ATOM 0 HA SER A 46 -12.189 -3.675 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.944 -3.957 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.365 -2.565 -0.269 1.00 0.00 H new ATOM 0 HG SER A 46 -15.600 -4.161 -1.517 1.00 0.00 H new ATOM 713 N PHE A 47 -12.197 -1.960 1.411 1.00 0.00 N ATOM 714 CA PHE A 47 -11.684 -1.116 2.472 1.00 0.00 C ATOM 715 C PHE A 47 -12.702 -0.001 2.722 1.00 0.00 C ATOM 716 O PHE A 47 -13.639 0.198 1.948 1.00 0.00 O ATOM 717 CB PHE A 47 -10.298 -0.590 2.054 1.00 0.00 C ATOM 718 CG PHE A 47 -9.100 -1.373 2.577 1.00 0.00 C ATOM 719 CD1 PHE A 47 -9.037 -2.783 2.516 1.00 0.00 C ATOM 720 CD2 PHE A 47 -8.009 -0.666 3.116 1.00 0.00 C ATOM 721 CE1 PHE A 47 -7.915 -3.462 3.025 1.00 0.00 C ATOM 722 CE2 PHE A 47 -6.887 -1.345 3.622 1.00 0.00 C ATOM 723 CZ PHE A 47 -6.842 -2.747 3.581 1.00 0.00 C ATOM 0 H PHE A 47 -12.388 -1.441 0.554 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.551 -1.659 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.250 -0.576 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.207 0.443 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.852 -3.341 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.034 0.413 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.879 -4.541 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.062 -0.789 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.986 -3.274 3.975 1.00 0.00 H new ATOM 733 N VAL A 48 -12.532 0.719 3.827 1.00 0.00 N ATOM 734 CA VAL A 48 -13.424 1.748 4.320 1.00 0.00 C ATOM 735 C VAL A 48 -12.531 2.871 4.851 1.00 0.00 C ATOM 736 O VAL A 48 -11.559 2.593 5.554 1.00 0.00 O ATOM 737 CB VAL A 48 -14.383 1.166 5.390 1.00 0.00 C ATOM 738 CG1 VAL A 48 -15.407 2.208 5.857 1.00 0.00 C ATOM 739 CG2 VAL A 48 -15.182 -0.048 4.881 1.00 0.00 C ATOM 0 H VAL A 48 -11.721 0.588 4.432 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.075 2.142 3.539 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.733 0.861 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.062 1.764 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -14.886 3.062 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.002 2.540 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.836 -0.412 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.784 0.247 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.493 -0.840 4.587 1.00 0.00 H new ATOM 749 N CYS A 49 -12.821 4.126 4.485 1.00 0.00 N ATOM 750 CA CYS A 49 -12.080 5.275 5.000 1.00 0.00 C ATOM 751 C CYS A 49 -12.399 5.464 6.493 1.00 0.00 C ATOM 752 O CYS A 49 -13.500 5.110 6.922 1.00 0.00 O ATOM 753 CB CYS A 49 -12.426 6.527 4.179 1.00 0.00 C ATOM 754 SG CYS A 49 -14.167 7.028 4.186 1.00 0.00 S ATOM 0 H CYS A 49 -13.566 4.368 3.832 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.008 5.103 4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.828 7.358 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.123 6.355 3.146 1.00 0.00 H new ATOM 0 HG CYS A 49 -14.902 6.049 3.749 1.00 0.00 H new ATOM 759 N PRO A 50 -11.498 6.060 7.299 1.00 0.00 N ATOM 760 CA PRO A 50 -11.674 6.122 8.748 1.00 0.00 C ATOM 761 C PRO A 50 -12.905 6.933 9.170 1.00 0.00 C ATOM 762 O PRO A 50 -13.511 6.614 10.195 1.00 0.00 O ATOM 763 CB PRO A 50 -10.371 6.697 9.312 1.00 0.00 C ATOM 764 CG PRO A 50 -9.740 7.420 8.124 1.00 0.00 C ATOM 765 CD PRO A 50 -10.195 6.588 6.926 1.00 0.00 C ATOM 0 HA PRO A 50 -11.868 5.128 9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.562 7.380 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.719 5.910 9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.084 8.452 8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.653 7.451 8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.261 7.198 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.490 5.784 6.715 1.00 0.00 H new ATOM 773 N TRP A 51 -13.319 7.929 8.374 1.00 0.00 N ATOM 774 CA TRP A 51 -14.581 8.626 8.584 1.00 0.00 C ATOM 775 C TRP A 51 -15.740 7.630 8.505 1.00 0.00 C ATOM 776 O TRP A 51 -16.452 7.445 9.494 1.00 0.00 O ATOM 777 CB TRP A 51 -14.760 9.773 7.583 1.00 0.00 C ATOM 778 CG TRP A 51 -16.088 10.459 7.706 1.00 0.00 C ATOM 779 CD1 TRP A 51 -16.463 11.261 8.728 1.00 0.00 C ATOM 780 CD2 TRP A 51 -17.265 10.333 6.848 1.00 0.00 C ATOM 781 NE1 TRP A 51 -17.790 11.613 8.581 1.00 0.00 N ATOM 782 CE2 TRP A 51 -18.339 11.058 7.445 1.00 0.00 C ATOM 783 CE3 TRP A 51 -17.542 9.660 5.638 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -19.625 11.096 6.884 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -18.826 9.699 5.060 1.00 0.00 C ATOM 786 CH2 TRP A 51 -19.867 10.410 5.683 1.00 0.00 C ATOM 0 H TRP A 51 -12.787 8.267 7.573 1.00 0.00 H new ATOM 0 HA TRP A 51 -14.572 9.072 9.578 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -13.965 10.504 7.731 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -14.651 9.384 6.571 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -15.822 11.578 9.537 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -18.301 12.210 9.232 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -16.756 9.106 5.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -20.418 11.646 7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -19.012 9.179 4.132 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -20.851 10.428 5.238 1.00 0.00 H new ATOM 797 N CYS A 52 -15.906 6.958 7.359 1.00 0.00 N ATOM 798 CA CYS A 52 -16.946 5.956 7.186 1.00 0.00 C ATOM 799 C CYS A 52 -16.854 4.884 8.267 1.00 0.00 C ATOM 800 O CYS A 52 -17.879 4.551 8.845 1.00 0.00 O ATOM 801 CB CYS A 52 -16.884 5.332 5.792 1.00 0.00 C ATOM 802 SG CYS A 52 -17.649 6.330 4.505 1.00 0.00 S ATOM 0 H CYS A 52 -15.323 7.098 6.534 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.910 6.455 7.286 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.840 5.158 5.530 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.372 4.358 5.820 1.00 0.00 H new ATOM 0 HG CYS A 52 -17.740 7.563 4.908 1.00 0.00 H new ATOM 807 N ALA A 53 -15.652 4.394 8.588 1.00 0.00 N ATOM 808 CA ALA A 53 -15.460 3.388 9.630 1.00 0.00 C ATOM 809 C ALA A 53 -15.959 3.875 10.999 1.00 0.00 C ATOM 810 O ALA A 53 -16.496 3.081 11.765 1.00 0.00 O ATOM 811 CB ALA A 53 -13.982 2.993 9.695 1.00 0.00 C ATOM 0 H ALA A 53 -14.788 4.685 8.132 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.056 2.513 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.840 2.243 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.672 2.583 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.380 3.872 9.925 1.00 0.00 H new ATOM 817 N THR A 54 -15.800 5.170 11.294 1.00 0.00 N ATOM 818 CA THR A 54 -16.244 5.793 12.541 1.00 0.00 C ATOM 819 C THR A 54 -17.750 6.115 12.521 1.00 0.00 C ATOM 820 O THR A 54 -18.356 6.213 13.585 1.00 0.00 O ATOM 821 CB THR A 54 -15.406 7.066 12.791 1.00 0.00 C ATOM 822 OG1 THR A 54 -14.024 6.786 12.678 1.00 0.00 O ATOM 823 CG2 THR A 54 -15.618 7.677 14.181 1.00 0.00 C ATOM 0 H THR A 54 -15.349 5.827 10.657 1.00 0.00 H new ATOM 0 HA THR A 54 -16.091 5.088 13.358 1.00 0.00 H new ATOM 0 HB THR A 54 -15.743 7.775 12.035 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.705 7.064 11.794 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.998 8.567 14.286 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.667 7.949 14.303 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.341 6.950 14.944 1.00 0.00 H new ATOM 831 N ASN A 55 -18.357 6.303 11.337 1.00 0.00 N ATOM 832 CA ASN A 55 -19.745 6.782 11.198 1.00 0.00 C ATOM 833 C ASN A 55 -20.719 5.672 10.810 1.00 0.00 C ATOM 834 O ASN A 55 -21.932 5.886 10.851 1.00 0.00 O ATOM 835 CB ASN A 55 -19.826 7.945 10.188 1.00 0.00 C ATOM 836 CG ASN A 55 -19.230 9.214 10.777 1.00 0.00 C ATOM 837 OD1 ASN A 55 -19.928 10.160 11.123 1.00 0.00 O ATOM 838 ND2 ASN A 55 -17.918 9.232 10.934 1.00 0.00 N ATOM 0 H ASN A 55 -17.897 6.126 10.444 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.048 7.141 12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.294 7.678 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.866 8.121 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.465 10.045 11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.358 8.432 10.638 1.00 0.00 H new ATOM 845 N GLN A 56 -20.192 4.515 10.406 1.00 0.00 N ATOM 846 CA GLN A 56 -20.988 3.302 10.210 1.00 0.00 C ATOM 847 C GLN A 56 -21.282 2.559 11.528 1.00 0.00 C ATOM 848 O GLN A 56 -21.619 1.357 11.438 1.00 0.00 O ATOM 849 CB GLN A 56 -20.473 2.427 9.077 1.00 0.00 C ATOM 850 CG GLN A 56 -19.215 1.717 9.518 1.00 0.00 C ATOM 851 CD GLN A 56 -19.316 0.201 9.347 1.00 0.00 C ATOM 852 OE1 GLN A 56 -18.775 -0.362 8.396 1.00 0.00 O ATOM 853 NE2 GLN A 56 -20.106 -0.453 10.183 1.00 0.00 N ATOM 0 H GLN A 56 -19.200 4.392 10.205 1.00 0.00 H new ATOM 0 HA GLN A 56 -21.969 3.626 9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -21.233 1.699 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -20.269 3.037 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -18.368 2.090 8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.016 1.950 10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -20.542 0.039 10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.279 -1.449 10.047 1.00 0.00 H new