USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=8 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 39 LYS NZ :NH3+ -156:sc= 0.237 (180deg=0) USER MOD Set 1.2: A 40 TYR OH : rot -15:sc= 0.223 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.18 K(o=-1.2,f=-8.7!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= -0.0537 K(o=-0.054,f=-4.1!) USER MOD Single : A 24 GLN : amide:sc= -3.98! C(o=-4!,f=-6!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -16:sc= 0.0108 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.7!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.06 K(o=-4.1,f=-8.6!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 42 ASN : amide:sc= -1.24! C(o=-1.2!,f=-15!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 156:sc= -0.155 (180deg=-1.07) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.31! C(o=-6!,f=-2.3!) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= -0.897! (180deg=-1.05!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -6.952 -0.474 7.965 1.00 0.00 N ATOM 116 CA ILE A 8 -5.871 0.475 7.563 1.00 0.00 C ATOM 117 C ILE A 8 -5.846 1.651 8.544 1.00 0.00 C ATOM 118 O ILE A 8 -4.829 2.285 8.744 1.00 0.00 O ATOM 119 CB ILE A 8 -6.141 1.009 6.145 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.452 -0.145 5.168 1.00 0.00 C ATOM 121 CG2 ILE A 8 -4.930 1.804 5.651 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.231 -1.039 4.926 1.00 0.00 C ATOM 0 HA ILE A 8 -4.913 -0.045 7.576 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.012 1.663 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.269 -0.747 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.794 0.267 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.126 2.180 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.747 2.643 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.053 1.157 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.496 -1.837 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.422 -0.444 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.905 -1.473 5.871 1.00 0.00 H new ATOM 134 N MET A 9 -6.962 1.947 9.154 1.00 0.00 N ATOM 135 CA MET A 9 -7.009 3.082 10.119 1.00 0.00 C ATOM 136 C MET A 9 -5.989 2.842 11.232 1.00 0.00 C ATOM 137 O MET A 9 -5.750 3.691 12.067 1.00 0.00 O ATOM 138 CB MET A 9 -8.413 3.177 10.722 1.00 0.00 C ATOM 139 CG MET A 9 -9.411 3.578 9.634 1.00 0.00 C ATOM 140 SD MET A 9 -11.071 3.680 10.347 1.00 0.00 S ATOM 141 CE MET A 9 -11.958 4.024 8.807 1.00 0.00 C ATOM 0 H MET A 9 -7.844 1.451 9.025 1.00 0.00 H new ATOM 0 HA MET A 9 -6.772 4.013 9.603 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.699 2.219 11.157 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.425 3.910 11.529 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.129 4.539 9.203 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.395 2.848 8.824 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.023 4.127 9.016 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.583 4.949 8.370 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.803 3.203 8.107 1.00 0.00 H new ATOM 151 N GLU A 10 -5.387 1.687 11.244 1.00 0.00 N ATOM 152 CA GLU A 10 -4.381 1.375 12.294 1.00 0.00 C ATOM 153 C GLU A 10 -3.204 2.348 12.183 1.00 0.00 C ATOM 154 O GLU A 10 -2.380 2.446 13.070 1.00 0.00 O ATOM 155 CB GLU A 10 -3.884 -0.059 12.094 1.00 0.00 C ATOM 156 CG GLU A 10 -3.203 -0.186 10.723 1.00 0.00 C ATOM 157 CD GLU A 10 -2.970 -1.663 10.401 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.716 -2.418 11.325 1.00 0.00 O ATOM 159 OE2 GLU A 10 -3.051 -2.014 9.237 1.00 0.00 O ATOM 0 H GLU A 10 -5.550 0.941 10.567 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.833 1.474 13.281 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.182 -0.324 12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.719 -0.756 12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.825 0.271 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.254 0.350 10.726 1.00 0.00 H new ATOM 166 N ASN A 11 -3.117 3.064 11.093 1.00 0.00 N ATOM 167 CA ASN A 11 -1.994 4.029 10.908 1.00 0.00 C ATOM 168 C ASN A 11 -2.459 5.169 9.989 1.00 0.00 C ATOM 169 O ASN A 11 -2.339 5.071 8.784 1.00 0.00 O ATOM 170 CB ASN A 11 -0.812 3.302 10.253 1.00 0.00 C ATOM 171 CG ASN A 11 0.421 4.209 10.270 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.306 5.407 10.434 1.00 0.00 O ATOM 173 ND2 ASN A 11 1.604 3.683 10.108 1.00 0.00 N ATOM 0 H ASN A 11 -3.780 3.021 10.319 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.689 4.434 11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.601 2.375 10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.062 3.030 9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.432 4.278 10.119 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.700 2.677 9.970 1.00 0.00 H new ATOM 180 N PRO A 12 -2.989 6.242 10.535 1.00 0.00 N ATOM 181 CA PRO A 12 -3.470 7.395 9.716 1.00 0.00 C ATOM 182 C PRO A 12 -2.471 7.767 8.614 1.00 0.00 C ATOM 183 O PRO A 12 -2.791 8.472 7.677 1.00 0.00 O ATOM 184 CB PRO A 12 -3.616 8.521 10.746 1.00 0.00 C ATOM 185 CG PRO A 12 -3.974 7.810 12.013 1.00 0.00 C ATOM 186 CD PRO A 12 -3.193 6.488 11.979 1.00 0.00 C ATOM 0 HA PRO A 12 -4.398 7.178 9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.690 9.086 10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.390 9.231 10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.702 8.404 12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.047 7.630 12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.244 6.569 12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.753 5.679 12.448 1.00 0.00 H new ATOM 194 N ASP A 13 -1.265 7.283 8.723 1.00 0.00 N ATOM 195 CA ASP A 13 -0.233 7.584 7.692 1.00 0.00 C ATOM 196 C ASP A 13 -0.573 6.824 6.408 1.00 0.00 C ATOM 197 O ASP A 13 -0.479 7.349 5.317 1.00 0.00 O ATOM 198 CB ASP A 13 1.137 7.134 8.205 1.00 0.00 C ATOM 199 CG ASP A 13 2.227 7.604 7.239 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.590 8.767 7.307 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.680 6.793 6.448 1.00 0.00 O ATOM 0 H ASP A 13 -0.948 6.687 9.488 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.212 8.655 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.317 7.544 9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.163 6.048 8.298 1.00 0.00 H new ATOM 206 N VAL A 14 -0.976 5.588 6.538 1.00 0.00 N ATOM 207 CA VAL A 14 -1.334 4.781 5.337 1.00 0.00 C ATOM 208 C VAL A 14 -2.704 5.225 4.846 1.00 0.00 C ATOM 209 O VAL A 14 -2.953 5.319 3.661 1.00 0.00 O ATOM 210 CB VAL A 14 -1.374 3.302 5.729 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.772 2.454 4.519 1.00 0.00 C ATOM 212 CG2 VAL A 14 0.010 2.870 6.225 1.00 0.00 C ATOM 0 H VAL A 14 -1.073 5.101 7.429 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.599 4.924 4.545 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.108 3.159 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.799 1.402 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.758 2.760 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.043 2.595 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.016 1.817 6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.743 3.017 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.289 3.469 7.092 1.00 0.00 H new ATOM 222 N ALA A 15 -3.588 5.513 5.751 1.00 0.00 N ATOM 223 CA ALA A 15 -4.940 5.970 5.350 1.00 0.00 C ATOM 224 C ALA A 15 -4.801 7.254 4.531 1.00 0.00 C ATOM 225 O ALA A 15 -5.522 7.484 3.580 1.00 0.00 O ATOM 226 CB ALA A 15 -5.754 6.247 6.606 1.00 0.00 C ATOM 0 H ALA A 15 -3.432 5.451 6.757 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.440 5.208 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.752 6.584 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.832 5.335 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.262 7.021 7.195 1.00 0.00 H new ATOM 232 N MET A 16 -3.862 8.084 4.893 1.00 0.00 N ATOM 233 CA MET A 16 -3.644 9.350 4.143 1.00 0.00 C ATOM 234 C MET A 16 -2.940 9.013 2.836 1.00 0.00 C ATOM 235 O MET A 16 -3.196 9.599 1.803 1.00 0.00 O ATOM 236 CB MET A 16 -2.762 10.279 4.975 1.00 0.00 C ATOM 237 CG MET A 16 -2.706 11.663 4.321 1.00 0.00 C ATOM 238 SD MET A 16 -1.621 12.746 5.287 1.00 0.00 S ATOM 239 CE MET A 16 -2.865 13.352 6.456 1.00 0.00 C ATOM 0 H MET A 16 -3.233 7.937 5.682 1.00 0.00 H new ATOM 0 HA MET A 16 -4.594 9.844 3.941 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.157 10.361 5.988 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.757 9.865 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.337 11.579 3.299 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.707 12.091 4.264 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.400 14.047 7.155 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.659 13.862 5.911 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.286 12.511 7.007 1.00 0.00 H new ATOM 249 N ALA A 17 -2.058 8.056 2.881 1.00 0.00 N ATOM 250 CA ALA A 17 -1.333 7.652 1.650 1.00 0.00 C ATOM 251 C ALA A 17 -2.325 6.954 0.730 1.00 0.00 C ATOM 252 O ALA A 17 -2.253 7.049 -0.477 1.00 0.00 O ATOM 253 CB ALA A 17 -0.201 6.692 2.017 1.00 0.00 C ATOM 0 H ALA A 17 -1.808 7.535 3.722 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.906 8.523 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.332 6.395 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.490 7.188 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.616 5.808 2.501 1.00 0.00 H new ATOM 259 N PHE A 18 -3.267 6.265 1.307 1.00 0.00 N ATOM 260 CA PHE A 18 -4.293 5.567 0.486 1.00 0.00 C ATOM 261 C PHE A 18 -4.977 6.602 -0.420 1.00 0.00 C ATOM 262 O PHE A 18 -5.549 6.271 -1.439 1.00 0.00 O ATOM 263 CB PHE A 18 -5.330 4.929 1.436 1.00 0.00 C ATOM 264 CG PHE A 18 -5.064 3.444 1.625 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.753 2.978 1.790 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.135 2.536 1.645 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.514 1.610 1.972 1.00 0.00 C ATOM 268 CE2 PHE A 18 -5.893 1.171 1.828 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.583 0.707 1.991 1.00 0.00 C ATOM 0 H PHE A 18 -3.371 6.155 2.316 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.838 4.790 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.299 5.432 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.333 5.073 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.927 3.674 1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.147 2.892 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.503 1.251 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.718 0.474 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.397 -0.348 2.131 1.00 0.00 H new ATOM 279 N GLN A 19 -4.923 7.854 -0.043 1.00 0.00 N ATOM 280 CA GLN A 19 -5.569 8.925 -0.862 1.00 0.00 C ATOM 281 C GLN A 19 -4.564 9.485 -1.872 1.00 0.00 C ATOM 282 O GLN A 19 -4.679 10.615 -2.305 1.00 0.00 O ATOM 283 CB GLN A 19 -6.037 10.052 0.061 1.00 0.00 C ATOM 284 CG GLN A 19 -7.115 9.522 1.008 1.00 0.00 C ATOM 285 CD GLN A 19 -7.633 10.665 1.883 1.00 0.00 C ATOM 286 OE1 GLN A 19 -7.407 11.822 1.588 1.00 0.00 O ATOM 287 NE2 GLN A 19 -8.324 10.388 2.955 1.00 0.00 N ATOM 0 H GLN A 19 -4.456 8.183 0.802 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.421 8.505 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.195 10.441 0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.431 10.879 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.935 9.088 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.706 8.728 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.514 9.417 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.674 11.143 3.545 1.00 0.00 H new ATOM 296 N ASN A 20 -3.588 8.699 -2.262 1.00 0.00 N ATOM 297 CA ASN A 20 -2.573 9.166 -3.259 1.00 0.00 C ATOM 298 C ASN A 20 -2.783 8.369 -4.551 1.00 0.00 C ATOM 299 O ASN A 20 -3.177 7.221 -4.506 1.00 0.00 O ATOM 300 CB ASN A 20 -1.165 8.901 -2.713 1.00 0.00 C ATOM 301 CG ASN A 20 -0.884 9.843 -1.540 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.771 10.523 -1.066 1.00 0.00 O ATOM 303 ND2 ASN A 20 0.324 9.910 -1.049 1.00 0.00 N ATOM 0 H ASN A 20 -3.451 7.745 -1.929 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.683 10.234 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.079 7.864 -2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.425 9.052 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.523 10.534 -0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.069 9.338 -1.448 1.00 0.00 H new ATOM 310 N PRO A 21 -2.542 8.956 -5.698 1.00 0.00 N ATOM 311 CA PRO A 21 -2.739 8.247 -6.995 1.00 0.00 C ATOM 312 C PRO A 21 -1.703 7.136 -7.206 1.00 0.00 C ATOM 313 O PRO A 21 -2.032 6.033 -7.596 1.00 0.00 O ATOM 314 CB PRO A 21 -2.588 9.362 -8.044 1.00 0.00 C ATOM 315 CG PRO A 21 -1.699 10.373 -7.390 1.00 0.00 C ATOM 316 CD PRO A 21 -2.057 10.335 -5.900 1.00 0.00 C ATOM 0 HA PRO A 21 -3.703 7.741 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.147 8.983 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.554 9.793 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.648 10.130 -7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.862 11.367 -7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.192 10.552 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.823 11.070 -5.652 1.00 0.00 H new ATOM 324 N ARG A 22 -0.456 7.418 -6.949 1.00 0.00 N ATOM 325 CA ARG A 22 0.596 6.378 -7.130 1.00 0.00 C ATOM 326 C ARG A 22 0.266 5.175 -6.245 1.00 0.00 C ATOM 327 O ARG A 22 0.492 4.038 -6.609 1.00 0.00 O ATOM 328 CB ARG A 22 1.955 6.957 -6.725 1.00 0.00 C ATOM 329 CG ARG A 22 2.268 8.187 -7.585 1.00 0.00 C ATOM 330 CD ARG A 22 3.502 8.904 -7.030 1.00 0.00 C ATOM 331 NE ARG A 22 3.900 10.002 -7.959 1.00 0.00 N ATOM 332 CZ ARG A 22 4.473 9.724 -9.101 1.00 0.00 C ATOM 333 NH1 ARG A 22 4.703 8.483 -9.434 1.00 0.00 N ATOM 334 NH2 ARG A 22 4.815 10.689 -9.909 1.00 0.00 N ATOM 0 H ARG A 22 -0.120 8.324 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 22 0.633 6.065 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.945 7.232 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.734 6.205 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.444 7.886 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.414 8.865 -7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.286 9.310 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.324 8.198 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 22 3.724 10.973 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.436 7.728 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.150 8.269 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.635 11.659 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.262 10.474 -10.800 1.00 0.00 H new ATOM 348 N VAL A 23 -0.279 5.425 -5.086 1.00 0.00 N ATOM 349 CA VAL A 23 -0.643 4.310 -4.164 1.00 0.00 C ATOM 350 C VAL A 23 -1.899 3.621 -4.693 1.00 0.00 C ATOM 351 O VAL A 23 -1.926 2.420 -4.876 1.00 0.00 O ATOM 352 CB VAL A 23 -0.904 4.875 -2.765 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.317 3.746 -1.812 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.380 5.530 -2.250 1.00 0.00 C ATOM 0 H VAL A 23 -0.489 6.359 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 23 0.171 3.587 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.707 5.610 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.501 4.157 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.226 3.272 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.518 3.006 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.207 5.937 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.175 4.786 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.674 6.335 -2.924 1.00 0.00 H new ATOM 364 N GLN A 24 -2.937 4.374 -4.958 1.00 0.00 N ATOM 365 CA GLN A 24 -4.187 3.761 -5.497 1.00 0.00 C ATOM 366 C GLN A 24 -3.814 2.896 -6.702 1.00 0.00 C ATOM 367 O GLN A 24 -4.401 1.863 -6.951 1.00 0.00 O ATOM 368 CB GLN A 24 -5.159 4.874 -5.922 1.00 0.00 C ATOM 369 CG GLN A 24 -6.561 4.296 -6.176 1.00 0.00 C ATOM 370 CD GLN A 24 -6.561 3.473 -7.468 1.00 0.00 C ATOM 371 OE1 GLN A 24 -5.789 3.735 -8.369 1.00 0.00 O ATOM 372 NE2 GLN A 24 -7.400 2.482 -7.596 1.00 0.00 N ATOM 0 H GLN A 24 -2.972 5.385 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.672 3.147 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.209 5.637 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.791 5.361 -6.825 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.863 3.670 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.289 5.104 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.048 2.262 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.408 1.928 -8.452 1.00 0.00 H new ATOM 381 N ALA A 25 -2.821 3.316 -7.436 1.00 0.00 N ATOM 382 CA ALA A 25 -2.370 2.532 -8.616 1.00 0.00 C ATOM 383 C ALA A 25 -1.644 1.284 -8.126 1.00 0.00 C ATOM 384 O ALA A 25 -1.738 0.226 -8.715 1.00 0.00 O ATOM 385 CB ALA A 25 -1.414 3.390 -9.446 1.00 0.00 C ATOM 0 H ALA A 25 -2.300 4.176 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.224 2.243 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.077 2.824 -10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.929 4.291 -9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.553 3.668 -8.838 1.00 0.00 H new ATOM 391 N ALA A 26 -0.929 1.395 -7.041 1.00 0.00 N ATOM 392 CA ALA A 26 -0.212 0.210 -6.506 1.00 0.00 C ATOM 393 C ALA A 26 -1.248 -0.812 -6.033 1.00 0.00 C ATOM 394 O ALA A 26 -1.116 -1.996 -6.266 1.00 0.00 O ATOM 395 CB ALA A 26 0.679 0.637 -5.336 1.00 0.00 C ATOM 0 H ALA A 26 -0.812 2.254 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 26 0.415 -0.234 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.205 -0.233 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.404 1.375 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.063 1.074 -4.550 1.00 0.00 H new ATOM 401 N LEU A 27 -2.290 -0.357 -5.386 1.00 0.00 N ATOM 402 CA LEU A 27 -3.349 -1.297 -4.914 1.00 0.00 C ATOM 403 C LEU A 27 -4.133 -1.793 -6.132 1.00 0.00 C ATOM 404 O LEU A 27 -4.441 -2.962 -6.252 1.00 0.00 O ATOM 405 CB LEU A 27 -4.297 -0.563 -3.947 1.00 0.00 C ATOM 406 CG LEU A 27 -3.731 -0.589 -2.522 1.00 0.00 C ATOM 407 CD1 LEU A 27 -2.364 0.100 -2.492 1.00 0.00 C ATOM 408 CD2 LEU A 27 -4.693 0.146 -1.586 1.00 0.00 C ATOM 0 H LEU A 27 -2.453 0.625 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.898 -2.141 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.432 0.468 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.280 -1.034 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.616 -1.623 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.968 0.078 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.679 -0.422 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.471 1.135 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.296 0.131 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.805 1.179 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.665 -0.347 -1.603 1.00 0.00 H new ATOM 420 N MET A 28 -4.453 -0.913 -7.040 1.00 0.00 N ATOM 421 CA MET A 28 -5.206 -1.338 -8.251 1.00 0.00 C ATOM 422 C MET A 28 -4.383 -2.390 -8.991 1.00 0.00 C ATOM 423 O MET A 28 -4.896 -3.397 -9.437 1.00 0.00 O ATOM 424 CB MET A 28 -5.439 -0.130 -9.162 1.00 0.00 C ATOM 425 CG MET A 28 -6.330 -0.539 -10.336 1.00 0.00 C ATOM 426 SD MET A 28 -6.741 0.924 -11.320 1.00 0.00 S ATOM 427 CE MET A 28 -7.381 0.050 -12.769 1.00 0.00 C ATOM 0 H MET A 28 -4.226 0.080 -6.995 1.00 0.00 H new ATOM 0 HA MET A 28 -6.171 -1.755 -7.964 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.908 0.677 -8.600 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.486 0.250 -9.530 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.818 -1.275 -10.956 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.241 -1.011 -9.968 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.699 0.774 -13.519 1.00 0.00 H new ATOM 0 HE2 MET A 28 -6.599 -0.585 -13.186 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.231 -0.566 -12.476 1.00 0.00 H new ATOM 437 N GLU A 29 -3.101 -2.168 -9.112 1.00 0.00 N ATOM 438 CA GLU A 29 -2.234 -3.158 -9.807 1.00 0.00 C ATOM 439 C GLU A 29 -2.041 -4.370 -8.894 1.00 0.00 C ATOM 440 O GLU A 29 -1.862 -5.482 -9.351 1.00 0.00 O ATOM 441 CB GLU A 29 -0.874 -2.518 -10.117 1.00 0.00 C ATOM 442 CG GLU A 29 -0.072 -3.422 -11.064 1.00 0.00 C ATOM 443 CD GLU A 29 -0.697 -3.393 -12.461 1.00 0.00 C ATOM 444 OE1 GLU A 29 -0.303 -2.548 -13.247 1.00 0.00 O ATOM 445 OE2 GLU A 29 -1.559 -4.216 -12.720 1.00 0.00 O ATOM 0 H GLU A 29 -2.618 -1.342 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.700 -3.472 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.019 -1.538 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.318 -2.361 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.964 -3.086 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.059 -4.443 -10.683 1.00 0.00 H new ATOM 452 N CYS A 30 -2.081 -4.164 -7.604 1.00 0.00 N ATOM 453 CA CYS A 30 -1.902 -5.312 -6.663 1.00 0.00 C ATOM 454 C CYS A 30 -2.977 -6.363 -6.939 1.00 0.00 C ATOM 455 O CYS A 30 -2.732 -7.551 -6.867 1.00 0.00 O ATOM 456 CB CYS A 30 -2.028 -4.826 -5.217 1.00 0.00 C ATOM 457 SG CYS A 30 -1.693 -6.201 -4.089 1.00 0.00 S ATOM 0 H CYS A 30 -2.229 -3.257 -7.162 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.913 -5.746 -6.810 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.327 -4.011 -5.033 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.029 -4.432 -5.040 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.771 -7.324 -4.739 1.00 0.00 H new ATOM 463 N SER A 31 -4.171 -5.935 -7.252 1.00 0.00 N ATOM 464 CA SER A 31 -5.266 -6.899 -7.530 1.00 0.00 C ATOM 465 C SER A 31 -4.808 -7.926 -8.570 1.00 0.00 C ATOM 466 O SER A 31 -5.239 -9.062 -8.565 1.00 0.00 O ATOM 467 CB SER A 31 -6.483 -6.144 -8.064 1.00 0.00 C ATOM 468 OG SER A 31 -7.571 -7.048 -8.204 1.00 0.00 O ATOM 0 H SER A 31 -4.433 -4.952 -7.327 1.00 0.00 H new ATOM 0 HA SER A 31 -5.529 -7.417 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.752 -5.336 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.249 -5.687 -9.025 1.00 0.00 H new ATOM 0 HG SER A 31 -8.354 -6.567 -8.545 1.00 0.00 H new ATOM 474 N GLU A 32 -3.938 -7.536 -9.464 1.00 0.00 N ATOM 475 CA GLU A 32 -3.458 -8.493 -10.502 1.00 0.00 C ATOM 476 C GLU A 32 -2.529 -9.524 -9.859 1.00 0.00 C ATOM 477 O GLU A 32 -2.750 -10.714 -9.956 1.00 0.00 O ATOM 478 CB GLU A 32 -2.694 -7.728 -11.587 1.00 0.00 C ATOM 479 CG GLU A 32 -3.632 -6.731 -12.276 1.00 0.00 C ATOM 480 CD GLU A 32 -4.678 -7.487 -13.098 1.00 0.00 C ATOM 481 OE1 GLU A 32 -4.290 -8.372 -13.843 1.00 0.00 O ATOM 482 OE2 GLU A 32 -5.848 -7.168 -12.969 1.00 0.00 O ATOM 0 H GLU A 32 -3.540 -6.598 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.313 -9.002 -10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.848 -7.201 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.288 -8.426 -12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.124 -6.106 -11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.059 -6.066 -12.922 1.00 0.00 H new ATOM 489 N ASN A 33 -1.491 -9.078 -9.200 1.00 0.00 N ATOM 490 CA ASN A 33 -0.549 -10.038 -8.547 1.00 0.00 C ATOM 491 C ASN A 33 0.629 -9.248 -7.945 1.00 0.00 C ATOM 492 O ASN A 33 0.843 -8.103 -8.288 1.00 0.00 O ATOM 493 CB ASN A 33 -0.026 -11.052 -9.601 1.00 0.00 C ATOM 494 CG ASN A 33 -0.617 -12.448 -9.349 1.00 0.00 C ATOM 495 OD1 ASN A 33 -1.716 -12.579 -8.849 1.00 0.00 O ATOM 496 ND2 ASN A 33 0.077 -13.504 -9.679 1.00 0.00 N ATOM 0 H ASN A 33 -1.254 -8.092 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.063 -10.585 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.293 -10.714 -10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.062 -11.099 -9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.304 -14.436 -9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.000 -13.397 -10.099 1.00 0.00 H new ATOM 503 N PRO A 34 1.394 -9.857 -7.062 1.00 0.00 N ATOM 504 CA PRO A 34 2.573 -9.192 -6.424 1.00 0.00 C ATOM 505 C PRO A 34 3.449 -8.443 -7.442 1.00 0.00 C ATOM 506 O PRO A 34 4.344 -7.706 -7.079 1.00 0.00 O ATOM 507 CB PRO A 34 3.349 -10.363 -5.804 1.00 0.00 C ATOM 508 CG PRO A 34 2.302 -11.380 -5.480 1.00 0.00 C ATOM 509 CD PRO A 34 1.223 -11.241 -6.565 1.00 0.00 C ATOM 0 HA PRO A 34 2.270 -8.433 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.087 -10.762 -6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.889 -10.051 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.723 -12.385 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.883 -11.206 -4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.361 -11.972 -7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.224 -11.399 -6.158 1.00 0.00 H new ATOM 517 N MET A 35 3.199 -8.632 -8.708 1.00 0.00 N ATOM 518 CA MET A 35 4.015 -7.941 -9.742 1.00 0.00 C ATOM 519 C MET A 35 3.826 -6.434 -9.605 1.00 0.00 C ATOM 520 O MET A 35 4.496 -5.651 -10.249 1.00 0.00 O ATOM 521 CB MET A 35 3.564 -8.389 -11.134 1.00 0.00 C ATOM 522 CG MET A 35 3.770 -9.898 -11.276 1.00 0.00 C ATOM 523 SD MET A 35 3.155 -10.441 -12.890 1.00 0.00 S ATOM 524 CE MET A 35 3.645 -12.177 -12.747 1.00 0.00 C ATOM 0 H MET A 35 2.462 -9.237 -9.071 1.00 0.00 H new ATOM 0 HA MET A 35 5.067 -8.192 -9.606 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.514 -8.139 -11.286 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.132 -7.860 -11.900 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.828 -10.143 -11.177 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.245 -10.424 -10.479 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.357 -12.712 -13.652 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.725 -12.241 -12.617 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.149 -12.625 -11.886 1.00 0.00 H new ATOM 534 N ASN A 36 2.912 -6.022 -8.773 1.00 0.00 N ATOM 535 CA ASN A 36 2.675 -4.565 -8.598 1.00 0.00 C ATOM 536 C ASN A 36 3.959 -3.892 -8.121 1.00 0.00 C ATOM 537 O ASN A 36 4.451 -2.965 -8.728 1.00 0.00 O ATOM 538 CB ASN A 36 1.569 -4.339 -7.555 1.00 0.00 C ATOM 539 CG ASN A 36 1.717 -5.354 -6.420 1.00 0.00 C ATOM 540 OD1 ASN A 36 1.343 -6.500 -6.562 1.00 0.00 O ATOM 541 ND2 ASN A 36 2.252 -4.978 -5.290 1.00 0.00 N ATOM 0 H ASN A 36 2.320 -6.631 -8.208 1.00 0.00 H new ATOM 0 HA ASN A 36 2.368 -4.137 -9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.630 -3.325 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.589 -4.441 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.356 -5.647 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.566 -4.015 -5.170 1.00 0.00 H new ATOM 548 N ILE A 37 4.490 -4.340 -7.024 1.00 0.00 N ATOM 549 CA ILE A 37 5.727 -3.716 -6.484 1.00 0.00 C ATOM 550 C ILE A 37 6.911 -3.991 -7.420 1.00 0.00 C ATOM 551 O ILE A 37 7.896 -3.281 -7.409 1.00 0.00 O ATOM 552 CB ILE A 37 5.998 -4.282 -5.076 1.00 0.00 C ATOM 553 CG1 ILE A 37 6.970 -3.358 -4.314 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.600 -5.695 -5.173 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.310 -1.999 -4.011 1.00 0.00 C ATOM 0 H ILE A 37 4.120 -5.115 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 37 5.598 -2.636 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 37 5.052 -4.336 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.276 -3.834 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.873 -3.205 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.786 -6.081 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.903 -6.353 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.539 -5.653 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.014 -1.364 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.027 -1.516 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.421 -2.154 -3.399 1.00 0.00 H new ATOM 567 N MET A 38 6.832 -5.017 -8.221 1.00 0.00 N ATOM 568 CA MET A 38 7.965 -5.334 -9.140 1.00 0.00 C ATOM 569 C MET A 38 8.148 -4.218 -10.178 1.00 0.00 C ATOM 570 O MET A 38 8.737 -4.427 -11.220 1.00 0.00 O ATOM 571 CB MET A 38 7.686 -6.659 -9.859 1.00 0.00 C ATOM 572 CG MET A 38 7.732 -7.818 -8.856 1.00 0.00 C ATOM 573 SD MET A 38 9.440 -8.090 -8.319 1.00 0.00 S ATOM 574 CE MET A 38 9.175 -9.695 -7.526 1.00 0.00 C ATOM 0 H MET A 38 6.034 -5.650 -8.280 1.00 0.00 H new ATOM 0 HA MET A 38 8.879 -5.417 -8.551 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.709 -6.622 -10.341 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.424 -6.818 -10.646 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.101 -7.593 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.335 -8.724 -9.314 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.117 -10.058 -7.116 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.447 -9.588 -6.722 1.00 0.00 H new ATOM 0 HE3 MET A 38 8.801 -10.407 -8.262 1.00 0.00 H new ATOM 584 N LYS A 39 7.666 -3.031 -9.907 1.00 0.00 N ATOM 585 CA LYS A 39 7.838 -1.913 -10.885 1.00 0.00 C ATOM 586 C LYS A 39 7.799 -0.572 -10.141 1.00 0.00 C ATOM 587 O LYS A 39 8.482 0.364 -10.508 1.00 0.00 O ATOM 588 CB LYS A 39 6.727 -1.963 -11.948 1.00 0.00 C ATOM 589 CG LYS A 39 5.384 -2.270 -11.284 1.00 0.00 C ATOM 590 CD LYS A 39 4.256 -2.227 -12.328 1.00 0.00 C ATOM 591 CE LYS A 39 4.042 -0.793 -12.850 1.00 0.00 C ATOM 592 NZ LYS A 39 2.637 -0.649 -13.325 1.00 0.00 N ATOM 0 H LYS A 39 7.162 -2.788 -9.054 1.00 0.00 H new ATOM 0 HA LYS A 39 8.801 -2.018 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.673 -1.010 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.958 -2.726 -12.692 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.418 -3.253 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.186 -1.546 -10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.500 -2.888 -13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.332 -2.599 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.247 -0.071 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.737 -0.582 -13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.583 0.121 -14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.327 -1.538 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.019 -0.429 -12.518 1.00 0.00 H new ATOM 606 N TYR A 40 7.017 -0.464 -9.095 1.00 0.00 N ATOM 607 CA TYR A 40 6.961 0.820 -8.344 1.00 0.00 C ATOM 608 C TYR A 40 8.203 0.942 -7.459 1.00 0.00 C ATOM 609 O TYR A 40 8.392 1.928 -6.775 1.00 0.00 O ATOM 610 CB TYR A 40 5.707 0.859 -7.465 1.00 0.00 C ATOM 611 CG TYR A 40 4.472 0.622 -8.309 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.151 1.520 -9.333 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.647 -0.488 -8.069 1.00 0.00 C ATOM 614 CE1 TYR A 40 3.013 1.312 -10.120 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.508 -0.694 -8.857 1.00 0.00 C ATOM 616 CZ TYR A 40 2.192 0.205 -9.882 1.00 0.00 C ATOM 617 OH TYR A 40 1.069 -0.001 -10.658 1.00 0.00 O ATOM 0 H TYR A 40 6.419 -1.207 -8.733 1.00 0.00 H new ATOM 0 HA TYR A 40 6.927 1.648 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.776 0.100 -6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.635 1.824 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.783 2.376 -9.516 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.890 -1.182 -7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.769 2.006 -10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.873 -1.548 -8.674 1.00 0.00 H new ATOM 0 HH TYR A 40 0.858 0.818 -11.152 1.00 0.00 H new ATOM 627 N GLN A 41 9.059 -0.048 -7.471 1.00 0.00 N ATOM 628 CA GLN A 41 10.293 0.025 -6.632 1.00 0.00 C ATOM 629 C GLN A 41 11.014 1.345 -6.933 1.00 0.00 C ATOM 630 O GLN A 41 11.848 1.796 -6.175 1.00 0.00 O ATOM 631 CB GLN A 41 11.210 -1.170 -6.960 1.00 0.00 C ATOM 632 CG GLN A 41 10.842 -2.374 -6.084 1.00 0.00 C ATOM 633 CD GLN A 41 11.612 -3.609 -6.556 1.00 0.00 C ATOM 634 OE1 GLN A 41 11.173 -4.310 -7.445 1.00 0.00 O ATOM 635 NE2 GLN A 41 12.752 -3.906 -5.993 1.00 0.00 N ATOM 0 H GLN A 41 8.958 -0.900 -8.023 1.00 0.00 H new ATOM 0 HA GLN A 41 10.033 -0.015 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.113 -1.434 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.252 -0.895 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.078 -2.163 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.769 -2.560 -6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.121 -3.317 -5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.274 -4.727 -6.300 1.00 0.00 H new ATOM 644 N ASN A 42 10.680 1.970 -8.032 1.00 0.00 N ATOM 645 CA ASN A 42 11.318 3.272 -8.390 1.00 0.00 C ATOM 646 C ASN A 42 10.457 4.405 -7.831 1.00 0.00 C ATOM 647 O ASN A 42 10.939 5.476 -7.523 1.00 0.00 O ATOM 648 CB ASN A 42 11.399 3.397 -9.913 1.00 0.00 C ATOM 649 CG ASN A 42 10.009 3.186 -10.517 1.00 0.00 C ATOM 650 OD1 ASN A 42 9.098 2.754 -9.839 1.00 0.00 O ATOM 651 ND2 ASN A 42 9.807 3.474 -11.774 1.00 0.00 N ATOM 0 H ASN A 42 9.988 1.632 -8.701 1.00 0.00 H new ATOM 0 HA ASN A 42 12.323 3.325 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.781 4.380 -10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.096 2.661 -10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.885 3.336 -12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.572 3.837 -12.343 1.00 0.00 H new ATOM 658 N ASP A 43 9.179 4.167 -7.694 1.00 0.00 N ATOM 659 CA ASP A 43 8.269 5.215 -7.150 1.00 0.00 C ATOM 660 C ASP A 43 8.515 5.359 -5.643 1.00 0.00 C ATOM 661 O ASP A 43 7.926 4.663 -4.836 1.00 0.00 O ATOM 662 CB ASP A 43 6.816 4.795 -7.409 1.00 0.00 C ATOM 663 CG ASP A 43 5.886 5.992 -7.198 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.178 6.798 -6.331 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.899 6.081 -7.909 1.00 0.00 O ATOM 0 H ASP A 43 8.725 3.287 -7.937 1.00 0.00 H new ATOM 0 HA ASP A 43 8.460 6.172 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.713 4.417 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.537 3.983 -6.737 1.00 0.00 H new ATOM 670 N LYS A 44 9.395 6.248 -5.263 1.00 0.00 N ATOM 671 CA LYS A 44 9.718 6.434 -3.822 1.00 0.00 C ATOM 672 C LYS A 44 8.440 6.568 -2.990 1.00 0.00 C ATOM 673 O LYS A 44 8.422 6.248 -1.818 1.00 0.00 O ATOM 674 CB LYS A 44 10.565 7.699 -3.656 1.00 0.00 C ATOM 675 CG LYS A 44 11.052 7.807 -2.208 1.00 0.00 C ATOM 676 CD LYS A 44 12.020 8.985 -2.081 1.00 0.00 C ATOM 677 CE LYS A 44 12.581 9.034 -0.659 1.00 0.00 C ATOM 678 NZ LYS A 44 13.536 10.172 -0.541 1.00 0.00 N ATOM 0 H LYS A 44 9.908 6.859 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 44 10.270 5.562 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.417 7.670 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.978 8.579 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.204 7.946 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.546 6.883 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.832 8.881 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.506 9.918 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.770 9.150 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.085 8.097 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.918 10.206 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.316 10.042 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.042 11.063 -0.749 1.00 0.00 H new ATOM 692 N GLU A 45 7.372 7.033 -3.576 1.00 0.00 N ATOM 693 CA GLU A 45 6.109 7.175 -2.798 1.00 0.00 C ATOM 694 C GLU A 45 5.571 5.782 -2.454 1.00 0.00 C ATOM 695 O GLU A 45 5.305 5.470 -1.309 1.00 0.00 O ATOM 696 CB GLU A 45 5.076 7.937 -3.639 1.00 0.00 C ATOM 697 CG GLU A 45 3.867 8.317 -2.773 1.00 0.00 C ATOM 698 CD GLU A 45 4.266 9.405 -1.773 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.182 10.569 -2.129 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.648 9.056 -0.668 1.00 0.00 O ATOM 0 H GLU A 45 7.318 7.319 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 45 6.301 7.727 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.529 8.835 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.753 7.321 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.053 8.672 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.499 7.439 -2.242 1.00 0.00 H new ATOM 707 N VAL A 46 5.415 4.940 -3.437 1.00 0.00 N ATOM 708 CA VAL A 46 4.897 3.573 -3.170 1.00 0.00 C ATOM 709 C VAL A 46 5.891 2.811 -2.301 1.00 0.00 C ATOM 710 O VAL A 46 5.520 1.954 -1.543 1.00 0.00 O ATOM 711 CB VAL A 46 4.716 2.826 -4.490 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.063 1.465 -4.230 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.824 3.647 -5.426 1.00 0.00 C ATOM 0 H VAL A 46 5.625 5.141 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 46 3.939 3.648 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 46 5.691 2.676 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.936 0.936 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.698 0.877 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.089 1.612 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.696 3.113 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.851 3.800 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.290 4.613 -5.618 1.00 0.00 H new ATOM 723 N MET A 47 7.151 3.110 -2.410 1.00 0.00 N ATOM 724 CA MET A 47 8.156 2.381 -1.585 1.00 0.00 C ATOM 725 C MET A 47 7.875 2.630 -0.108 1.00 0.00 C ATOM 726 O MET A 47 7.748 1.712 0.667 1.00 0.00 O ATOM 727 CB MET A 47 9.567 2.873 -1.926 1.00 0.00 C ATOM 728 CG MET A 47 9.939 2.431 -3.342 1.00 0.00 C ATOM 729 SD MET A 47 11.531 3.162 -3.807 1.00 0.00 S ATOM 730 CE MET A 47 12.565 2.321 -2.580 1.00 0.00 C ATOM 0 H MET A 47 7.531 3.824 -3.031 1.00 0.00 H new ATOM 0 HA MET A 47 8.088 1.314 -1.797 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.612 3.959 -1.850 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.285 2.474 -1.210 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.998 1.344 -3.391 1.00 0.00 H new ATOM 0 HG3 MET A 47 9.166 2.740 -4.045 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.594 2.283 -2.936 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.527 2.866 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.196 1.307 -2.428 1.00 0.00 H new ATOM 740 N ASP A 48 7.781 3.862 0.287 1.00 0.00 N ATOM 741 CA ASP A 48 7.513 4.167 1.719 1.00 0.00 C ATOM 742 C ASP A 48 6.214 3.498 2.163 1.00 0.00 C ATOM 743 O ASP A 48 6.061 3.088 3.299 1.00 0.00 O ATOM 744 CB ASP A 48 7.366 5.689 1.877 1.00 0.00 C ATOM 745 CG ASP A 48 7.607 6.093 3.335 1.00 0.00 C ATOM 746 OD1 ASP A 48 8.759 6.128 3.736 1.00 0.00 O ATOM 747 OD2 ASP A 48 6.636 6.361 4.023 1.00 0.00 O ATOM 0 H ASP A 48 7.878 4.676 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 48 8.336 3.794 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.077 6.200 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.369 6.000 1.565 1.00 0.00 H new ATOM 752 N VAL A 49 5.267 3.419 1.280 1.00 0.00 N ATOM 753 CA VAL A 49 3.953 2.827 1.634 1.00 0.00 C ATOM 754 C VAL A 49 4.032 1.302 1.659 1.00 0.00 C ATOM 755 O VAL A 49 3.684 0.669 2.631 1.00 0.00 O ATOM 756 CB VAL A 49 2.946 3.291 0.584 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.570 2.701 0.885 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.874 4.824 0.613 1.00 0.00 C ATOM 0 H VAL A 49 5.347 3.743 0.316 1.00 0.00 H new ATOM 0 HA VAL A 49 3.649 3.151 2.630 1.00 0.00 H new ATOM 0 HB VAL A 49 3.261 2.954 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.857 3.037 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.629 1.613 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.240 3.032 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.158 5.169 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.556 5.155 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.857 5.239 0.391 1.00 0.00 H new ATOM 768 N PHE A 50 4.478 0.712 0.596 1.00 0.00 N ATOM 769 CA PHE A 50 4.570 -0.771 0.545 1.00 0.00 C ATOM 770 C PHE A 50 5.621 -1.246 1.551 1.00 0.00 C ATOM 771 O PHE A 50 5.551 -2.345 2.067 1.00 0.00 O ATOM 772 CB PHE A 50 4.923 -1.207 -0.895 1.00 0.00 C ATOM 773 CG PHE A 50 3.676 -1.749 -1.560 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.658 -0.865 -1.927 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.524 -3.125 -1.783 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.488 -1.348 -2.518 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.354 -3.609 -2.378 1.00 0.00 C ATOM 778 CZ PHE A 50 1.335 -2.721 -2.746 1.00 0.00 C ATOM 0 H PHE A 50 4.786 1.194 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 50 3.616 -1.224 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.315 -0.361 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.703 -1.968 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.776 0.194 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.308 -3.810 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.702 -0.663 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.236 -4.668 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.432 -3.095 -3.205 1.00 0.00 H new ATOM 788 N ASN A 51 6.579 -0.416 1.855 1.00 0.00 N ATOM 789 CA ASN A 51 7.618 -0.811 2.849 1.00 0.00 C ATOM 790 C ASN A 51 7.032 -0.635 4.243 1.00 0.00 C ATOM 791 O ASN A 51 7.422 -1.297 5.182 1.00 0.00 O ATOM 792 CB ASN A 51 8.858 0.076 2.703 1.00 0.00 C ATOM 793 CG ASN A 51 9.506 -0.167 1.338 1.00 0.00 C ATOM 794 OD1 ASN A 51 8.804 -0.711 0.381 1.00 0.00 O flip ATOM 795 ND2 ASN A 51 10.665 0.141 1.140 1.00 0.00 N flip ATOM 0 H ASN A 51 6.688 0.518 1.459 1.00 0.00 H new ATOM 0 HA ASN A 51 7.912 -1.847 2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.581 1.125 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.570 -0.143 3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.214 0.566 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.088 -0.026 0.227 1.00 0.00 H new ATOM 802 N LYS A 52 6.077 0.247 4.381 1.00 0.00 N ATOM 803 CA LYS A 52 5.446 0.453 5.713 1.00 0.00 C ATOM 804 C LYS A 52 4.440 -0.668 5.921 1.00 0.00 C ATOM 805 O LYS A 52 4.402 -1.327 6.938 1.00 0.00 O ATOM 806 CB LYS A 52 4.729 1.809 5.738 1.00 0.00 C ATOM 807 CG LYS A 52 3.927 1.953 7.044 1.00 0.00 C ATOM 808 CD LYS A 52 3.476 3.418 7.243 1.00 0.00 C ATOM 809 CE LYS A 52 4.579 4.232 7.936 1.00 0.00 C ATOM 810 NZ LYS A 52 4.093 5.622 8.169 1.00 0.00 N ATOM 0 H LYS A 52 5.709 0.831 3.630 1.00 0.00 H new ATOM 0 HA LYS A 52 6.197 0.444 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.457 2.617 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.062 1.893 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.056 1.299 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.538 1.636 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.238 3.865 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.565 3.446 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.850 3.766 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.478 4.247 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.870 6.203 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.759 6.028 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.310 5.606 8.854 1.00 0.00 H new ATOM 824 N ILE A 53 3.633 -0.886 4.933 1.00 0.00 N ATOM 825 CA ILE A 53 2.611 -1.958 4.995 1.00 0.00 C ATOM 826 C ILE A 53 3.283 -3.271 5.422 1.00 0.00 C ATOM 827 O ILE A 53 2.762 -4.015 6.226 1.00 0.00 O ATOM 828 CB ILE A 53 1.989 -2.075 3.574 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.619 -1.381 3.537 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.826 -3.535 3.126 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.736 0.077 4.002 1.00 0.00 C ATOM 0 H ILE A 53 3.637 -0.354 4.063 1.00 0.00 H new ATOM 0 HA ILE A 53 1.830 -1.736 5.722 1.00 0.00 H new ATOM 0 HB ILE A 53 2.678 -1.587 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.217 -1.414 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.083 -1.917 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.388 -3.563 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.801 -4.021 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.173 -4.059 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.246 0.550 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.116 0.104 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.420 0.614 3.346 1.00 0.00 H new ATOM 843 N SER A 54 4.422 -3.567 4.863 1.00 0.00 N ATOM 844 CA SER A 54 5.119 -4.844 5.202 1.00 0.00 C ATOM 845 C SER A 54 5.896 -4.734 6.522 1.00 0.00 C ATOM 846 O SER A 54 6.111 -5.722 7.196 1.00 0.00 O ATOM 847 CB SER A 54 6.087 -5.195 4.073 1.00 0.00 C ATOM 848 OG SER A 54 6.879 -6.309 4.462 1.00 0.00 O ATOM 0 H SER A 54 4.904 -2.979 4.183 1.00 0.00 H new ATOM 0 HA SER A 54 4.366 -5.623 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.534 -5.428 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.726 -4.341 3.848 1.00 0.00 H new ATOM 0 HG SER A 54 7.500 -6.537 3.739 1.00 0.00 H new ATOM 854 N GLN A 55 6.331 -3.560 6.901 1.00 0.00 N ATOM 855 CA GLN A 55 7.099 -3.435 8.176 1.00 0.00 C ATOM 856 C GLN A 55 6.128 -3.531 9.351 1.00 0.00 C ATOM 857 O GLN A 55 6.447 -4.072 10.391 1.00 0.00 O ATOM 858 CB GLN A 55 7.830 -2.080 8.207 1.00 0.00 C ATOM 859 CG GLN A 55 9.131 -2.163 7.392 1.00 0.00 C ATOM 860 CD GLN A 55 10.174 -2.978 8.162 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.708 -3.942 7.651 1.00 0.00 O ATOM 862 NE2 GLN A 55 10.487 -2.629 9.380 1.00 0.00 N ATOM 0 H GLN A 55 6.190 -2.690 6.388 1.00 0.00 H new ATOM 0 HA GLN A 55 7.836 -4.235 8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.186 -1.301 7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.054 -1.802 9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.936 -2.626 6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.512 -1.161 7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.039 -1.820 9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.180 -3.166 9.902 1.00 0.00 H new ATOM 871 N LEU A 56 4.943 -3.010 9.189 1.00 0.00 N ATOM 872 CA LEU A 56 3.936 -3.064 10.289 1.00 0.00 C ATOM 873 C LEU A 56 3.090 -4.332 10.130 1.00 0.00 C ATOM 874 O LEU A 56 2.583 -4.868 11.095 1.00 0.00 O ATOM 875 CB LEU A 56 3.035 -1.819 10.209 1.00 0.00 C ATOM 876 CG LEU A 56 3.762 -0.574 10.769 1.00 0.00 C ATOM 877 CD1 LEU A 56 3.943 -0.684 12.297 1.00 0.00 C ATOM 878 CD2 LEU A 56 5.137 -0.413 10.096 1.00 0.00 C ATOM 0 H LEU A 56 4.626 -2.546 8.337 1.00 0.00 H new ATOM 0 HA LEU A 56 4.437 -3.083 11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.746 -1.641 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.117 -1.993 10.771 1.00 0.00 H new ATOM 0 HG LEU A 56 3.149 0.301 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.457 0.203 12.667 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.966 -0.764 12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.534 -1.569 12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.639 0.467 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.743 -1.297 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.004 -0.294 9.021 1.00 0.00 H new