USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=10 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 30 CYS SG : rot -28:sc= -0.0177 USER MOD Set 1.2: A 36 ASN : amide:sc= -5.81! C(o=-5.8!,f=-6.9!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.97! K(o=-4!,f=-4.8) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.9!) USER MOD Single : A 20 ASN : amide:sc=-0.00988 X(o=-0.0099,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.21) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.7 F(o=-3.1!,f=-1.7) USER MOD Single : A 35 MET CE :methyl 157:sc= -0.147 (180deg=-1.02) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -1.05 (180deg=-1.64) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.137 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.707 F(o=-1.6,f=-0.71) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 44 LYS NZ :NH3+ -110:sc= -1.96 (180deg=-4.25!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0087 X(o=-0.0087,f=-0.35) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= -0.0123 (180deg=-1.44!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -6.805 0.117 8.494 1.00 0.00 N ATOM 116 CA ILE A 8 -5.733 1.091 8.124 1.00 0.00 C ATOM 117 C ILE A 8 -5.749 2.275 9.101 1.00 0.00 C ATOM 118 O ILE A 8 -4.771 2.980 9.248 1.00 0.00 O ATOM 119 CB ILE A 8 -5.967 1.621 6.693 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.287 0.470 5.712 1.00 0.00 C ATOM 121 CG2 ILE A 8 -4.730 2.388 6.214 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.068 -0.419 5.448 1.00 0.00 C ATOM 0 HA ILE A 8 -4.769 0.584 8.171 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.826 2.292 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.096 -0.137 6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.642 0.886 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.901 2.760 5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.541 3.228 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.867 1.723 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.341 -1.214 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.267 0.181 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.728 -0.858 6.386 1.00 0.00 H new ATOM 134 N MET A 9 -6.852 2.504 9.762 1.00 0.00 N ATOM 135 CA MET A 9 -6.924 3.650 10.718 1.00 0.00 C ATOM 136 C MET A 9 -5.821 3.508 11.771 1.00 0.00 C ATOM 137 O MET A 9 -5.600 4.387 12.580 1.00 0.00 O ATOM 138 CB MET A 9 -8.305 3.663 11.397 1.00 0.00 C ATOM 139 CG MET A 9 -8.399 2.549 12.455 1.00 0.00 C ATOM 140 SD MET A 9 -10.139 2.214 12.828 1.00 0.00 S ATOM 141 CE MET A 9 -10.391 3.571 13.999 1.00 0.00 C ATOM 0 H MET A 9 -7.705 1.950 9.683 1.00 0.00 H new ATOM 0 HA MET A 9 -6.782 4.587 10.180 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.477 4.632 11.865 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.086 3.528 10.648 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.914 1.644 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.873 2.849 13.361 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.419 3.552 14.362 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.707 3.457 14.840 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.199 4.522 13.501 1.00 0.00 H new ATOM 151 N GLU A 10 -5.134 2.402 11.763 1.00 0.00 N ATOM 152 CA GLU A 10 -4.049 2.183 12.757 1.00 0.00 C ATOM 153 C GLU A 10 -2.888 3.138 12.474 1.00 0.00 C ATOM 154 O GLU A 10 -1.975 3.272 13.264 1.00 0.00 O ATOM 155 CB GLU A 10 -3.564 0.737 12.643 1.00 0.00 C ATOM 156 CG GLU A 10 -2.985 0.492 11.242 1.00 0.00 C ATOM 157 CD GLU A 10 -2.757 -1.006 11.038 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.488 -1.684 12.017 1.00 0.00 O ATOM 159 OE2 GLU A 10 -2.856 -1.450 9.908 1.00 0.00 O ATOM 0 H GLU A 10 -5.278 1.635 11.106 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.425 2.372 13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.806 0.537 13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.390 0.051 12.830 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.668 0.873 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.046 1.033 11.126 1.00 0.00 H new ATOM 166 N ASN A 11 -2.909 3.793 11.345 1.00 0.00 N ATOM 167 CA ASN A 11 -1.803 4.729 10.998 1.00 0.00 C ATOM 168 C ASN A 11 -2.311 5.751 9.972 1.00 0.00 C ATOM 169 O ASN A 11 -2.223 5.522 8.782 1.00 0.00 O ATOM 170 CB ASN A 11 -0.648 3.929 10.383 1.00 0.00 C ATOM 171 CG ASN A 11 0.015 3.071 11.463 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.197 1.883 11.285 1.00 0.00 O ATOM 173 ND2 ASN A 11 0.389 3.627 12.583 1.00 0.00 N ATOM 0 H ASN A 11 -3.648 3.719 10.646 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.460 5.247 11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.020 3.295 9.578 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.083 4.607 9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.834 3.064 13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.237 4.624 12.733 1.00 0.00 H new ATOM 180 N PRO A 12 -2.838 6.873 10.413 1.00 0.00 N ATOM 181 CA PRO A 12 -3.353 7.924 9.485 1.00 0.00 C ATOM 182 C PRO A 12 -2.365 8.205 8.346 1.00 0.00 C ATOM 183 O PRO A 12 -2.692 8.840 7.364 1.00 0.00 O ATOM 184 CB PRO A 12 -3.522 9.148 10.396 1.00 0.00 C ATOM 185 CG PRO A 12 -3.830 8.565 11.738 1.00 0.00 C ATOM 186 CD PRO A 12 -3.007 7.272 11.826 1.00 0.00 C ATOM 0 HA PRO A 12 -4.278 7.632 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.616 9.753 10.423 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.327 9.795 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.561 9.256 12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.895 8.359 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.046 7.440 12.313 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.526 6.504 12.400 1.00 0.00 H new ATOM 194 N ASP A 13 -1.161 7.721 8.476 1.00 0.00 N ATOM 195 CA ASP A 13 -0.142 7.935 7.412 1.00 0.00 C ATOM 196 C ASP A 13 -0.511 7.092 6.191 1.00 0.00 C ATOM 197 O ASP A 13 -0.421 7.538 5.065 1.00 0.00 O ATOM 198 CB ASP A 13 1.231 7.507 7.934 1.00 0.00 C ATOM 199 CG ASP A 13 2.303 7.857 6.900 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.188 7.396 5.777 1.00 0.00 O ATOM 201 OD2 ASP A 13 3.221 8.581 7.250 1.00 0.00 O ATOM 0 H ASP A 13 -0.838 7.183 9.280 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.111 8.988 7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.445 8.007 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.238 6.435 8.132 1.00 0.00 H new ATOM 206 N VAL A 14 -0.939 5.877 6.410 1.00 0.00 N ATOM 207 CA VAL A 14 -1.330 5.004 5.268 1.00 0.00 C ATOM 208 C VAL A 14 -2.688 5.461 4.758 1.00 0.00 C ATOM 209 O VAL A 14 -2.946 5.483 3.572 1.00 0.00 O ATOM 210 CB VAL A 14 -1.416 3.553 5.749 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.764 2.639 4.575 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.067 3.131 6.338 1.00 0.00 C ATOM 0 H VAL A 14 -1.034 5.452 7.332 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.593 5.070 4.468 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.191 3.472 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.824 1.608 4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.724 2.937 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.992 2.720 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.127 2.098 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.706 3.216 5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.181 3.779 7.179 1.00 0.00 H new ATOM 222 N ALA A 15 -3.552 5.841 5.649 1.00 0.00 N ATOM 223 CA ALA A 15 -4.892 6.317 5.229 1.00 0.00 C ATOM 224 C ALA A 15 -4.716 7.539 4.326 1.00 0.00 C ATOM 225 O ALA A 15 -5.432 7.726 3.363 1.00 0.00 O ATOM 226 CB ALA A 15 -5.687 6.699 6.471 1.00 0.00 C ATOM 0 H ALA A 15 -3.387 5.842 6.656 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.424 5.537 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.676 7.051 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.790 5.829 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.165 7.491 7.008 1.00 0.00 H new ATOM 232 N MET A 16 -3.749 8.362 4.628 1.00 0.00 N ATOM 233 CA MET A 16 -3.496 9.564 3.787 1.00 0.00 C ATOM 234 C MET A 16 -2.812 9.106 2.504 1.00 0.00 C ATOM 235 O MET A 16 -3.042 9.636 1.436 1.00 0.00 O ATOM 236 CB MET A 16 -2.577 10.529 4.543 1.00 0.00 C ATOM 237 CG MET A 16 -3.368 11.261 5.632 1.00 0.00 C ATOM 238 SD MET A 16 -2.223 12.152 6.713 1.00 0.00 S ATOM 239 CE MET A 16 -3.449 12.745 7.904 1.00 0.00 C ATOM 0 H MET A 16 -3.121 8.252 5.425 1.00 0.00 H new ATOM 0 HA MET A 16 -4.432 10.073 3.556 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.749 9.980 4.991 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.144 11.250 3.850 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.073 11.957 5.178 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.953 10.548 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.952 13.332 8.677 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.183 13.367 7.392 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.952 11.894 8.362 1.00 0.00 H new ATOM 249 N ALA A 17 -1.981 8.107 2.607 1.00 0.00 N ATOM 250 CA ALA A 17 -1.288 7.591 1.401 1.00 0.00 C ATOM 251 C ALA A 17 -2.327 6.899 0.530 1.00 0.00 C ATOM 252 O ALA A 17 -2.284 6.951 -0.679 1.00 0.00 O ATOM 253 CB ALA A 17 -0.213 6.590 1.822 1.00 0.00 C ATOM 0 H ALA A 17 -1.753 7.627 3.478 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.812 8.403 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.297 6.210 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.509 7.083 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.677 5.761 2.357 1.00 0.00 H new ATOM 259 N PHE A 18 -3.279 6.266 1.147 1.00 0.00 N ATOM 260 CA PHE A 18 -4.349 5.583 0.372 1.00 0.00 C ATOM 261 C PHE A 18 -5.004 6.607 -0.570 1.00 0.00 C ATOM 262 O PHE A 18 -5.679 6.253 -1.515 1.00 0.00 O ATOM 263 CB PHE A 18 -5.394 5.036 1.367 1.00 0.00 C ATOM 264 CG PHE A 18 -5.172 3.558 1.652 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.873 3.047 1.790 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.275 2.701 1.792 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.681 1.687 2.063 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.079 1.343 2.066 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.783 0.836 2.201 1.00 0.00 C ATOM 0 H PHE A 18 -3.364 6.191 2.161 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.940 4.762 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.341 5.599 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.395 5.183 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.021 3.702 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.277 3.091 1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.680 1.294 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.929 0.686 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.633 -0.212 2.412 1.00 0.00 H new ATOM 279 N GLN A 19 -4.809 7.876 -0.307 1.00 0.00 N ATOM 280 CA GLN A 19 -5.418 8.934 -1.170 1.00 0.00 C ATOM 281 C GLN A 19 -4.444 9.324 -2.286 1.00 0.00 C ATOM 282 O GLN A 19 -4.537 10.398 -2.848 1.00 0.00 O ATOM 283 CB GLN A 19 -5.725 10.168 -0.317 1.00 0.00 C ATOM 284 CG GLN A 19 -6.660 9.783 0.834 1.00 0.00 C ATOM 285 CD GLN A 19 -8.029 9.390 0.276 1.00 0.00 C ATOM 286 OE1 GLN A 19 -8.388 9.782 -0.817 1.00 0.00 O ATOM 287 NE2 GLN A 19 -8.815 8.627 0.985 1.00 0.00 N ATOM 0 H GLN A 19 -4.251 8.225 0.472 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.337 8.549 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.800 10.587 0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.188 10.940 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.235 8.953 1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.765 10.619 1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.514 8.298 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.730 8.360 0.622 1.00 0.00 H new ATOM 296 N ASN A 20 -3.520 8.455 -2.620 1.00 0.00 N ATOM 297 CA ASN A 20 -2.540 8.751 -3.712 1.00 0.00 C ATOM 298 C ASN A 20 -2.901 7.856 -4.907 1.00 0.00 C ATOM 299 O ASN A 20 -3.349 6.742 -4.723 1.00 0.00 O ATOM 300 CB ASN A 20 -1.116 8.433 -3.215 1.00 0.00 C ATOM 301 CG ASN A 20 -0.549 9.633 -2.448 1.00 0.00 C ATOM 302 OD1 ASN A 20 0.394 10.260 -2.888 1.00 0.00 O ATOM 303 ND2 ASN A 20 -1.090 9.980 -1.312 1.00 0.00 N ATOM 0 H ASN A 20 -3.402 7.544 -2.177 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.576 9.801 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.135 7.554 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.471 8.194 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.721 10.777 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.882 9.454 -0.942 1.00 0.00 H new ATOM 310 N PRO A 21 -2.738 8.326 -6.120 1.00 0.00 N ATOM 311 CA PRO A 21 -3.094 7.521 -7.325 1.00 0.00 C ATOM 312 C PRO A 21 -2.148 6.331 -7.536 1.00 0.00 C ATOM 313 O PRO A 21 -2.580 5.223 -7.788 1.00 0.00 O ATOM 314 CB PRO A 21 -2.987 8.532 -8.479 1.00 0.00 C ATOM 315 CG PRO A 21 -1.985 9.536 -8.004 1.00 0.00 C ATOM 316 CD PRO A 21 -2.201 9.650 -6.491 1.00 0.00 C ATOM 0 HA PRO A 21 -4.083 7.070 -7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.660 8.050 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.949 8.999 -8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.969 9.214 -8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.132 10.498 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.270 9.867 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.899 10.450 -6.244 1.00 0.00 H new ATOM 324 N ARG A 22 -0.866 6.547 -7.433 1.00 0.00 N ATOM 325 CA ARG A 22 0.092 5.423 -7.625 1.00 0.00 C ATOM 326 C ARG A 22 -0.147 4.375 -6.538 1.00 0.00 C ATOM 327 O ARG A 22 0.105 3.202 -6.723 1.00 0.00 O ATOM 328 CB ARG A 22 1.526 5.950 -7.521 1.00 0.00 C ATOM 329 CG ARG A 22 1.773 7.021 -8.597 1.00 0.00 C ATOM 330 CD ARG A 22 1.788 6.394 -10.005 1.00 0.00 C ATOM 331 NE ARG A 22 0.398 6.351 -10.548 1.00 0.00 N ATOM 332 CZ ARG A 22 -0.193 7.451 -10.935 1.00 0.00 C ATOM 333 NH1 ARG A 22 0.426 8.597 -10.838 1.00 0.00 N ATOM 334 NH2 ARG A 22 -1.404 7.405 -11.417 1.00 0.00 N ATOM 0 H ARG A 22 -0.441 7.451 -7.225 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.056 4.976 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.696 6.372 -6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.233 5.130 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.996 7.783 -8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.723 7.521 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.430 6.976 -10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.204 5.387 -9.962 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.093 5.459 -10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.372 8.635 -10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.037 9.454 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.890 6.511 -11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.866 8.263 -11.719 1.00 0.00 H new ATOM 348 N VAL A 23 -0.633 4.797 -5.403 1.00 0.00 N ATOM 349 CA VAL A 23 -0.899 3.840 -4.291 1.00 0.00 C ATOM 350 C VAL A 23 -2.156 3.032 -4.607 1.00 0.00 C ATOM 351 O VAL A 23 -2.139 1.818 -4.597 1.00 0.00 O ATOM 352 CB VAL A 23 -1.080 4.628 -2.990 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.456 3.682 -1.840 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.237 5.339 -2.661 1.00 0.00 C ATOM 0 H VAL A 23 -0.859 5.770 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.062 3.151 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.881 5.357 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.581 4.257 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.389 3.172 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.665 2.945 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.124 5.905 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.029 4.600 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.496 6.019 -3.473 1.00 0.00 H new ATOM 364 N GLN A 24 -3.246 3.689 -4.910 1.00 0.00 N ATOM 365 CA GLN A 24 -4.488 2.938 -5.248 1.00 0.00 C ATOM 366 C GLN A 24 -4.157 1.966 -6.380 1.00 0.00 C ATOM 367 O GLN A 24 -4.661 0.863 -6.443 1.00 0.00 O ATOM 368 CB GLN A 24 -5.575 3.914 -5.707 1.00 0.00 C ATOM 369 CG GLN A 24 -5.999 4.808 -4.536 1.00 0.00 C ATOM 370 CD GLN A 24 -6.769 3.979 -3.504 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.961 3.783 -3.633 1.00 0.00 O ATOM 372 NE2 GLN A 24 -6.133 3.482 -2.479 1.00 0.00 N ATOM 0 H GLN A 24 -3.328 4.705 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.853 2.396 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.203 4.527 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.436 3.362 -6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.121 5.258 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.622 5.626 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.132 3.647 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.637 2.929 -1.786 1.00 0.00 H new ATOM 381 N ALA A 25 -3.285 2.376 -7.260 1.00 0.00 N ATOM 382 CA ALA A 25 -2.873 1.497 -8.386 1.00 0.00 C ATOM 383 C ALA A 25 -1.923 0.426 -7.851 1.00 0.00 C ATOM 384 O ALA A 25 -1.852 -0.670 -8.366 1.00 0.00 O ATOM 385 CB ALA A 25 -2.153 2.340 -9.440 1.00 0.00 C ATOM 0 H ALA A 25 -2.837 3.292 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.747 1.024 -8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.848 1.702 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.825 3.116 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.272 2.804 -8.996 1.00 0.00 H new ATOM 391 N ALA A 26 -1.192 0.740 -6.816 1.00 0.00 N ATOM 392 CA ALA A 26 -0.246 -0.254 -6.239 1.00 0.00 C ATOM 393 C ALA A 26 -1.041 -1.369 -5.558 1.00 0.00 C ATOM 394 O ALA A 26 -0.784 -2.539 -5.758 1.00 0.00 O ATOM 395 CB ALA A 26 0.659 0.436 -5.216 1.00 0.00 C ATOM 0 H ALA A 26 -1.210 1.645 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 26 0.370 -0.679 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.352 -0.292 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.222 1.231 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.049 0.861 -4.419 1.00 0.00 H new ATOM 401 N LEU A 27 -2.013 -1.016 -4.759 1.00 0.00 N ATOM 402 CA LEU A 27 -2.830 -2.058 -4.072 1.00 0.00 C ATOM 403 C LEU A 27 -3.726 -2.741 -5.108 1.00 0.00 C ATOM 404 O LEU A 27 -3.838 -3.950 -5.145 1.00 0.00 O ATOM 405 CB LEU A 27 -3.696 -1.400 -2.984 1.00 0.00 C ATOM 406 CG LEU A 27 -2.875 -1.200 -1.704 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.672 -0.293 -1.990 1.00 0.00 C ATOM 408 CD2 LEU A 27 -3.762 -0.554 -0.636 1.00 0.00 C ATOM 0 H LEU A 27 -2.276 -0.052 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.178 -2.796 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.071 -0.440 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.565 -2.023 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.514 -2.166 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.094 -0.156 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.042 -0.753 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.023 0.676 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.185 -0.409 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.121 0.410 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.613 -1.203 -0.428 1.00 0.00 H new ATOM 420 N MET A 28 -4.358 -1.978 -5.957 1.00 0.00 N ATOM 421 CA MET A 28 -5.234 -2.592 -6.992 1.00 0.00 C ATOM 422 C MET A 28 -4.385 -3.522 -7.860 1.00 0.00 C ATOM 423 O MET A 28 -4.791 -4.614 -8.201 1.00 0.00 O ATOM 424 CB MET A 28 -5.855 -1.489 -7.859 1.00 0.00 C ATOM 425 CG MET A 28 -6.941 -2.081 -8.765 1.00 0.00 C ATOM 426 SD MET A 28 -8.379 -2.542 -7.766 1.00 0.00 S ATOM 427 CE MET A 28 -9.500 -2.909 -9.137 1.00 0.00 C ATOM 0 H MET A 28 -4.306 -0.960 -5.978 1.00 0.00 H new ATOM 0 HA MET A 28 -6.035 -3.159 -6.518 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.283 -0.714 -7.224 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.083 -1.014 -8.465 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.231 -1.355 -9.525 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.555 -2.955 -9.290 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.467 -3.220 -8.743 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.628 -2.017 -9.751 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.081 -3.711 -9.745 1.00 0.00 H new ATOM 437 N GLU A 29 -3.201 -3.096 -8.211 1.00 0.00 N ATOM 438 CA GLU A 29 -2.316 -3.953 -9.047 1.00 0.00 C ATOM 439 C GLU A 29 -1.754 -5.088 -8.188 1.00 0.00 C ATOM 440 O GLU A 29 -1.384 -6.131 -8.689 1.00 0.00 O ATOM 441 CB GLU A 29 -1.165 -3.111 -9.604 1.00 0.00 C ATOM 442 CG GLU A 29 -0.324 -3.960 -10.562 1.00 0.00 C ATOM 443 CD GLU A 29 0.713 -3.073 -11.254 1.00 0.00 C ATOM 444 OE1 GLU A 29 0.388 -2.510 -12.287 1.00 0.00 O ATOM 445 OE2 GLU A 29 1.815 -2.972 -10.741 1.00 0.00 O ATOM 0 H GLU A 29 -2.809 -2.190 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.888 -4.372 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.559 -2.238 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.543 -2.742 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.174 -4.760 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.966 -4.434 -11.304 1.00 0.00 H new ATOM 452 N CYS A 30 -1.684 -4.896 -6.896 1.00 0.00 N ATOM 453 CA CYS A 30 -1.142 -5.974 -6.016 1.00 0.00 C ATOM 454 C CYS A 30 -1.963 -7.250 -6.207 1.00 0.00 C ATOM 455 O CYS A 30 -1.440 -8.347 -6.173 1.00 0.00 O ATOM 456 CB CYS A 30 -1.215 -5.534 -4.551 1.00 0.00 C ATOM 457 SG CYS A 30 -0.333 -6.732 -3.520 1.00 0.00 S ATOM 0 H CYS A 30 -1.976 -4.046 -6.415 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.103 -6.166 -6.282 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.775 -4.544 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.255 -5.460 -4.233 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.368 -7.901 -4.087 1.00 0.00 H new ATOM 463 N SER A 31 -3.247 -7.118 -6.406 1.00 0.00 N ATOM 464 CA SER A 31 -4.104 -8.316 -6.596 1.00 0.00 C ATOM 465 C SER A 31 -3.509 -9.216 -7.683 1.00 0.00 C ATOM 466 O SER A 31 -3.707 -10.414 -7.688 1.00 0.00 O ATOM 467 CB SER A 31 -5.508 -7.876 -7.012 1.00 0.00 C ATOM 468 OG SER A 31 -6.082 -7.094 -5.974 1.00 0.00 O ATOM 0 H SER A 31 -3.739 -6.225 -6.445 1.00 0.00 H new ATOM 0 HA SER A 31 -4.156 -8.872 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.462 -7.298 -7.935 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.130 -8.748 -7.213 1.00 0.00 H new ATOM 0 HG SER A 31 -6.982 -6.809 -6.238 1.00 0.00 H new ATOM 474 N GLU A 32 -2.781 -8.645 -8.604 1.00 0.00 N ATOM 475 CA GLU A 32 -2.174 -9.466 -9.690 1.00 0.00 C ATOM 476 C GLU A 32 -1.076 -10.355 -9.108 1.00 0.00 C ATOM 477 O GLU A 32 -1.090 -11.560 -9.264 1.00 0.00 O ATOM 478 CB GLU A 32 -1.555 -8.542 -10.741 1.00 0.00 C ATOM 479 CG GLU A 32 -2.657 -7.723 -11.416 1.00 0.00 C ATOM 480 CD GLU A 32 -2.044 -6.843 -12.507 1.00 0.00 C ATOM 481 OE1 GLU A 32 -1.023 -7.232 -13.050 1.00 0.00 O ATOM 482 OE2 GLU A 32 -2.606 -5.795 -12.781 1.00 0.00 O ATOM 0 H GLU A 32 -2.581 -7.646 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.947 -10.084 -10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.829 -7.877 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.017 -9.129 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.406 -8.387 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.168 -7.104 -10.679 1.00 0.00 H new ATOM 489 N ASN A 33 -0.120 -9.764 -8.445 1.00 0.00 N ATOM 490 CA ASN A 33 0.995 -10.561 -7.857 1.00 0.00 C ATOM 491 C ASN A 33 2.022 -9.588 -7.256 1.00 0.00 C ATOM 492 O ASN A 33 2.083 -8.439 -7.647 1.00 0.00 O ATOM 493 CB ASN A 33 1.661 -11.411 -8.965 1.00 0.00 C ATOM 494 CG ASN A 33 1.590 -10.668 -10.302 1.00 0.00 C ATOM 495 OD1 ASN A 33 1.599 -9.363 -10.311 1.00 0.00 O flip ATOM 496 ND2 ASN A 33 1.525 -11.281 -11.348 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.063 -8.758 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 33 0.617 -11.227 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.700 -11.613 -8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.159 -12.375 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.518 -12.301 -11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.477 -10.776 -12.233 1.00 0.00 H new ATOM 503 N PRO A 34 2.832 -10.032 -6.320 1.00 0.00 N ATOM 504 CA PRO A 34 3.867 -9.163 -5.686 1.00 0.00 C ATOM 505 C PRO A 34 4.693 -8.403 -6.736 1.00 0.00 C ATOM 506 O PRO A 34 5.478 -7.534 -6.412 1.00 0.00 O ATOM 507 CB PRO A 34 4.748 -10.143 -4.870 1.00 0.00 C ATOM 508 CG PRO A 34 4.318 -11.521 -5.287 1.00 0.00 C ATOM 509 CD PRO A 34 2.869 -11.391 -5.755 1.00 0.00 C ATOM 0 HA PRO A 34 3.423 -8.388 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.806 -9.984 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.608 -9.996 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.953 -11.902 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.397 -12.222 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.615 -12.146 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.165 -11.506 -4.931 1.00 0.00 H new ATOM 517 N MET A 35 4.521 -8.726 -7.991 1.00 0.00 N ATOM 518 CA MET A 35 5.292 -8.026 -9.054 1.00 0.00 C ATOM 519 C MET A 35 4.853 -6.566 -9.110 1.00 0.00 C ATOM 520 O MET A 35 5.432 -5.756 -9.806 1.00 0.00 O ATOM 521 CB MET A 35 5.023 -8.694 -10.406 1.00 0.00 C ATOM 522 CG MET A 35 5.509 -10.146 -10.369 1.00 0.00 C ATOM 523 SD MET A 35 4.941 -11.015 -11.854 1.00 0.00 S ATOM 524 CE MET A 35 5.834 -10.020 -13.077 1.00 0.00 C ATOM 0 H MET A 35 3.879 -9.445 -8.324 1.00 0.00 H new ATOM 0 HA MET A 35 6.358 -8.081 -8.831 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.957 -8.663 -10.633 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.534 -8.149 -11.200 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.597 -10.175 -10.313 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.130 -10.644 -9.477 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.964 -10.598 -13.992 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.265 -9.117 -13.297 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.811 -9.746 -12.679 1.00 0.00 H new ATOM 534 N ASN A 36 3.828 -6.224 -8.382 1.00 0.00 N ATOM 535 CA ASN A 36 3.348 -4.817 -8.392 1.00 0.00 C ATOM 536 C ASN A 36 4.470 -3.892 -7.927 1.00 0.00 C ATOM 537 O ASN A 36 4.885 -2.992 -8.630 1.00 0.00 O ATOM 538 CB ASN A 36 2.157 -4.672 -7.437 1.00 0.00 C ATOM 539 CG ASN A 36 2.452 -5.425 -6.139 1.00 0.00 C ATOM 540 OD1 ASN A 36 2.245 -6.618 -6.054 1.00 0.00 O ATOM 541 ND2 ASN A 36 2.932 -4.772 -5.115 1.00 0.00 N ATOM 0 H ASN A 36 3.302 -6.859 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 36 3.043 -4.550 -9.404 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.973 -3.619 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.254 -5.067 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.133 -5.265 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.106 -3.769 -5.186 1.00 0.00 H new ATOM 548 N ILE A 37 4.947 -4.100 -6.734 1.00 0.00 N ATOM 549 CA ILE A 37 6.021 -3.227 -6.198 1.00 0.00 C ATOM 550 C ILE A 37 7.281 -3.362 -7.059 1.00 0.00 C ATOM 551 O ILE A 37 8.046 -2.429 -7.203 1.00 0.00 O ATOM 552 CB ILE A 37 6.301 -3.623 -4.733 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.040 -2.481 -4.009 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.147 -4.906 -4.673 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.127 -1.248 -3.861 1.00 0.00 C ATOM 0 H ILE A 37 4.637 -4.841 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 37 5.708 -2.183 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 37 5.348 -3.807 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.366 -2.818 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.937 -2.211 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.334 -5.170 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.610 -5.719 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.097 -4.740 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.669 -0.454 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.823 -0.900 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.243 -1.517 -3.283 1.00 0.00 H new ATOM 567 N MET A 38 7.498 -4.510 -7.640 1.00 0.00 N ATOM 568 CA MET A 38 8.702 -4.689 -8.497 1.00 0.00 C ATOM 569 C MET A 38 8.664 -3.653 -9.622 1.00 0.00 C ATOM 570 O MET A 38 9.664 -3.364 -10.250 1.00 0.00 O ATOM 571 CB MET A 38 8.700 -6.099 -9.093 1.00 0.00 C ATOM 572 CG MET A 38 8.908 -7.133 -7.981 1.00 0.00 C ATOM 573 SD MET A 38 10.617 -7.046 -7.384 1.00 0.00 S ATOM 574 CE MET A 38 11.342 -8.229 -8.548 1.00 0.00 C ATOM 0 H MET A 38 6.895 -5.329 -7.558 1.00 0.00 H new ATOM 0 HA MET A 38 9.606 -4.555 -7.903 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.756 -6.286 -9.604 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.490 -6.190 -9.839 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.215 -6.945 -7.161 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.693 -8.134 -8.356 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.410 -8.326 -8.351 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.861 -9.200 -8.427 1.00 0.00 H new ATOM 0 HE3 MET A 38 11.192 -7.874 -9.568 1.00 0.00 H new ATOM 584 N LYS A 39 7.508 -3.088 -9.872 1.00 0.00 N ATOM 585 CA LYS A 39 7.372 -2.056 -10.947 1.00 0.00 C ATOM 586 C LYS A 39 7.408 -0.664 -10.311 1.00 0.00 C ATOM 587 O LYS A 39 8.119 0.215 -10.758 1.00 0.00 O ATOM 588 CB LYS A 39 6.033 -2.250 -11.666 1.00 0.00 C ATOM 589 CG LYS A 39 6.041 -3.587 -12.421 1.00 0.00 C ATOM 590 CD LYS A 39 4.618 -3.947 -12.874 1.00 0.00 C ATOM 591 CE LYS A 39 4.029 -2.812 -13.725 1.00 0.00 C ATOM 592 NZ LYS A 39 5.068 -2.297 -14.661 1.00 0.00 N ATOM 0 H LYS A 39 6.645 -3.300 -9.372 1.00 0.00 H new ATOM 0 HA LYS A 39 8.189 -2.156 -11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.216 -2.233 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.860 -1.429 -12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.700 -3.521 -13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.436 -4.374 -11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.635 -4.872 -13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.986 -4.125 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.167 -3.174 -14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.675 -2.007 -13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.613 -1.958 -15.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.583 -1.513 -14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.735 -3.060 -14.894 1.00 0.00 H new ATOM 606 N TYR A 40 6.650 -0.459 -9.266 1.00 0.00 N ATOM 607 CA TYR A 40 6.639 0.867 -8.595 1.00 0.00 C ATOM 608 C TYR A 40 7.942 1.043 -7.821 1.00 0.00 C ATOM 609 O TYR A 40 8.139 2.021 -7.129 1.00 0.00 O ATOM 610 CB TYR A 40 5.454 0.931 -7.633 1.00 0.00 C ATOM 611 CG TYR A 40 4.184 0.629 -8.393 1.00 0.00 C ATOM 612 CD1 TYR A 40 3.731 1.533 -9.357 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.465 -0.549 -8.144 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.562 1.266 -10.076 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.295 -0.816 -8.862 1.00 0.00 C ATOM 616 CZ TYR A 40 1.843 0.090 -9.829 1.00 0.00 C ATOM 617 OH TYR A 40 0.689 -0.175 -10.538 1.00 0.00 O ATOM 0 H TYR A 40 6.036 -1.159 -8.849 1.00 0.00 H new ATOM 0 HA TYR A 40 6.546 1.661 -9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.588 0.213 -6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.393 1.919 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.285 2.440 -9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.814 -1.249 -7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.214 1.966 -10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.739 -1.722 -8.670 1.00 0.00 H new ATOM 0 HH TYR A 40 0.751 0.231 -11.428 1.00 0.00 H new ATOM 627 N GLN A 41 8.839 0.100 -7.940 1.00 0.00 N ATOM 628 CA GLN A 41 10.139 0.208 -7.220 1.00 0.00 C ATOM 629 C GLN A 41 10.761 1.574 -7.515 1.00 0.00 C ATOM 630 O GLN A 41 11.546 2.093 -6.747 1.00 0.00 O ATOM 631 CB GLN A 41 11.077 -0.904 -7.697 1.00 0.00 C ATOM 632 CG GLN A 41 11.145 -0.903 -9.227 1.00 0.00 C ATOM 633 CD GLN A 41 12.106 -1.998 -9.694 1.00 0.00 C ATOM 634 OE1 GLN A 41 12.122 -3.144 -9.070 1.00 0.00 O flip ATOM 635 NE2 GLN A 41 12.849 -1.809 -10.637 1.00 0.00 N flip ATOM 0 H GLN A 41 8.726 -0.741 -8.506 1.00 0.00 H new ATOM 0 HA GLN A 41 9.979 0.106 -6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.073 -0.757 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.721 -1.871 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.153 -1.071 -9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.482 0.069 -9.586 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.836 -0.913 -11.125 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.485 -2.546 -10.941 1.00 0.00 H new ATOM 644 N ASN A 42 10.399 2.165 -8.621 1.00 0.00 N ATOM 645 CA ASN A 42 10.945 3.506 -8.971 1.00 0.00 C ATOM 646 C ASN A 42 10.100 4.571 -8.274 1.00 0.00 C ATOM 647 O ASN A 42 10.552 5.670 -8.020 1.00 0.00 O ATOM 648 CB ASN A 42 10.872 3.707 -10.487 1.00 0.00 C ATOM 649 CG ASN A 42 11.800 2.708 -11.180 1.00 0.00 C ATOM 650 OD1 ASN A 42 12.984 2.672 -10.908 1.00 0.00 O ATOM 651 ND2 ASN A 42 11.310 1.889 -12.070 1.00 0.00 N ATOM 0 H ASN A 42 9.746 1.774 -9.300 1.00 0.00 H new ATOM 0 HA ASN A 42 11.984 3.583 -8.650 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.848 3.569 -10.834 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.161 4.726 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.921 1.219 -12.537 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.316 1.919 -12.298 1.00 0.00 H new ATOM 658 N ASP A 43 8.870 4.250 -7.959 1.00 0.00 N ATOM 659 CA ASP A 43 7.988 5.239 -7.274 1.00 0.00 C ATOM 660 C ASP A 43 8.313 5.250 -5.774 1.00 0.00 C ATOM 661 O ASP A 43 7.719 4.532 -4.994 1.00 0.00 O ATOM 662 CB ASP A 43 6.521 4.836 -7.491 1.00 0.00 C ATOM 663 CG ASP A 43 5.605 6.032 -7.215 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.049 6.952 -6.547 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.476 6.008 -7.677 1.00 0.00 O ATOM 0 H ASP A 43 8.440 3.345 -8.148 1.00 0.00 H new ATOM 0 HA ASP A 43 8.153 6.236 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.378 4.486 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.261 4.008 -6.832 1.00 0.00 H new ATOM 670 N LYS A 44 9.261 6.052 -5.368 1.00 0.00 N ATOM 671 CA LYS A 44 9.640 6.105 -3.932 1.00 0.00 C ATOM 672 C LYS A 44 8.391 6.293 -3.062 1.00 0.00 C ATOM 673 O LYS A 44 8.362 5.908 -1.910 1.00 0.00 O ATOM 674 CB LYS A 44 10.608 7.276 -3.708 1.00 0.00 C ATOM 675 CG LYS A 44 11.250 7.169 -2.317 1.00 0.00 C ATOM 676 CD LYS A 44 11.998 8.467 -1.983 1.00 0.00 C ATOM 677 CE LYS A 44 13.073 8.753 -3.044 1.00 0.00 C ATOM 678 NZ LYS A 44 12.446 9.425 -4.218 1.00 0.00 N ATOM 0 H LYS A 44 9.791 6.676 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 44 10.124 5.169 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.382 7.271 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.074 8.222 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.482 6.979 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.939 6.325 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.294 9.298 -1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.461 8.385 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.855 9.386 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.549 7.823 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.438 8.773 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.470 9.697 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.992 10.275 -4.464 1.00 0.00 H new ATOM 692 N GLU A 45 7.360 6.881 -3.603 1.00 0.00 N ATOM 693 CA GLU A 45 6.119 7.090 -2.804 1.00 0.00 C ATOM 694 C GLU A 45 5.489 5.733 -2.476 1.00 0.00 C ATOM 695 O GLU A 45 5.168 5.446 -1.340 1.00 0.00 O ATOM 696 CB GLU A 45 5.130 7.939 -3.615 1.00 0.00 C ATOM 697 CG GLU A 45 3.960 8.381 -2.725 1.00 0.00 C ATOM 698 CD GLU A 45 4.444 9.416 -1.706 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.513 10.581 -2.062 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.738 9.026 -0.588 1.00 0.00 O ATOM 0 H GLU A 45 7.323 7.226 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 45 6.363 7.607 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.638 8.813 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.756 7.365 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.165 8.805 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.538 7.519 -2.209 1.00 0.00 H new ATOM 707 N VAL A 46 5.306 4.899 -3.463 1.00 0.00 N ATOM 708 CA VAL A 46 4.694 3.566 -3.213 1.00 0.00 C ATOM 709 C VAL A 46 5.629 2.725 -2.338 1.00 0.00 C ATOM 710 O VAL A 46 5.195 1.987 -1.487 1.00 0.00 O ATOM 711 CB VAL A 46 4.475 2.846 -4.546 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.786 1.499 -4.301 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.594 3.707 -5.456 1.00 0.00 C ATOM 0 H VAL A 46 5.555 5.085 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 46 3.739 3.700 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 46 5.440 2.678 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.632 0.990 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.412 0.882 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.823 1.665 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.439 3.193 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.631 3.878 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.084 4.664 -5.637 1.00 0.00 H new ATOM 723 N MET A 47 6.910 2.821 -2.545 1.00 0.00 N ATOM 724 CA MET A 47 7.854 2.011 -1.720 1.00 0.00 C ATOM 725 C MET A 47 7.719 2.413 -0.252 1.00 0.00 C ATOM 726 O MET A 47 7.725 1.586 0.631 1.00 0.00 O ATOM 727 CB MET A 47 9.292 2.261 -2.186 1.00 0.00 C ATOM 728 CG MET A 47 9.489 1.689 -3.593 1.00 0.00 C ATOM 729 SD MET A 47 11.247 1.763 -4.028 1.00 0.00 S ATOM 730 CE MET A 47 11.732 0.154 -3.353 1.00 0.00 C ATOM 0 H MET A 47 7.346 3.421 -3.245 1.00 0.00 H new ATOM 0 HA MET A 47 7.616 0.953 -1.833 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.503 3.330 -2.186 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.994 1.797 -1.493 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.136 0.659 -3.632 1.00 0.00 H new ATOM 0 HG3 MET A 47 8.900 2.255 -4.314 1.00 0.00 H new ATOM 0 HE1 MET A 47 12.798 -0.003 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.523 0.130 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.167 -0.634 -3.851 1.00 0.00 H new ATOM 740 N ASP A 48 7.603 3.679 0.009 1.00 0.00 N ATOM 741 CA ASP A 48 7.474 4.150 1.417 1.00 0.00 C ATOM 742 C ASP A 48 6.233 3.539 2.074 1.00 0.00 C ATOM 743 O ASP A 48 6.293 2.952 3.139 1.00 0.00 O ATOM 744 CB ASP A 48 7.318 5.675 1.400 1.00 0.00 C ATOM 745 CG ASP A 48 8.660 6.331 1.062 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.660 5.911 1.619 1.00 0.00 O ATOM 747 OD2 ASP A 48 8.663 7.242 0.250 1.00 0.00 O ATOM 0 H ASP A 48 7.591 4.417 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 48 8.358 3.851 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.566 5.964 0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.966 6.024 2.371 1.00 0.00 H new ATOM 752 N VAL A 49 5.107 3.708 1.453 1.00 0.00 N ATOM 753 CA VAL A 49 3.832 3.195 2.023 1.00 0.00 C ATOM 754 C VAL A 49 3.783 1.663 1.969 1.00 0.00 C ATOM 755 O VAL A 49 3.455 1.016 2.941 1.00 0.00 O ATOM 756 CB VAL A 49 2.677 3.801 1.213 1.00 0.00 C ATOM 757 CG1 VAL A 49 2.823 3.436 -0.260 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.334 3.295 1.742 1.00 0.00 C ATOM 0 H VAL A 49 5.011 4.188 0.558 1.00 0.00 H new ATOM 0 HA VAL A 49 3.751 3.482 3.071 1.00 0.00 H new ATOM 0 HB VAL A 49 2.711 4.885 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.999 3.871 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.768 3.824 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.806 2.352 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.525 3.733 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.296 2.209 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.223 3.582 2.788 1.00 0.00 H new ATOM 768 N PHE A 50 4.083 1.076 0.845 1.00 0.00 N ATOM 769 CA PHE A 50 4.023 -0.409 0.743 1.00 0.00 C ATOM 770 C PHE A 50 5.089 -1.047 1.651 1.00 0.00 C ATOM 771 O PHE A 50 4.879 -2.099 2.227 1.00 0.00 O ATOM 772 CB PHE A 50 4.231 -0.831 -0.731 1.00 0.00 C ATOM 773 CG PHE A 50 3.232 -1.916 -1.095 1.00 0.00 C ATOM 774 CD1 PHE A 50 3.248 -3.132 -0.404 1.00 0.00 C ATOM 775 CD2 PHE A 50 2.280 -1.698 -2.104 1.00 0.00 C ATOM 776 CE1 PHE A 50 2.320 -4.129 -0.717 1.00 0.00 C ATOM 777 CE2 PHE A 50 1.354 -2.697 -2.418 1.00 0.00 C ATOM 778 CZ PHE A 50 1.373 -3.912 -1.725 1.00 0.00 C ATOM 0 H PHE A 50 4.367 1.559 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 50 3.045 -0.758 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.104 0.030 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.248 -1.195 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.979 -3.301 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.263 -0.759 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.333 -5.067 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.624 -2.531 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.657 -4.683 -1.968 1.00 0.00 H new ATOM 788 N ASN A 51 6.225 -0.418 1.797 1.00 0.00 N ATOM 789 CA ASN A 51 7.286 -0.991 2.672 1.00 0.00 C ATOM 790 C ASN A 51 6.862 -0.829 4.124 1.00 0.00 C ATOM 791 O ASN A 51 7.266 -1.580 4.988 1.00 0.00 O ATOM 792 CB ASN A 51 8.611 -0.259 2.446 1.00 0.00 C ATOM 793 CG ASN A 51 9.700 -0.898 3.310 1.00 0.00 C ATOM 794 OD1 ASN A 51 9.868 -0.540 4.458 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.451 -1.836 2.802 1.00 0.00 N ATOM 0 H ASN A 51 6.463 0.467 1.348 1.00 0.00 H new ATOM 0 HA ASN A 51 7.422 -2.046 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.891 -0.308 1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.504 0.796 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.180 -2.269 3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.309 -2.136 1.838 1.00 0.00 H new ATOM 802 N LYS A 52 6.034 0.141 4.401 1.00 0.00 N ATOM 803 CA LYS A 52 5.573 0.338 5.799 1.00 0.00 C ATOM 804 C LYS A 52 4.515 -0.716 6.080 1.00 0.00 C ATOM 805 O LYS A 52 4.450 -1.307 7.138 1.00 0.00 O ATOM 806 CB LYS A 52 4.960 1.734 5.948 1.00 0.00 C ATOM 807 CG LYS A 52 4.345 1.887 7.345 1.00 0.00 C ATOM 808 CD LYS A 52 4.011 3.361 7.601 1.00 0.00 C ATOM 809 CE LYS A 52 3.374 3.512 8.983 1.00 0.00 C ATOM 810 NZ LYS A 52 3.165 4.957 9.278 1.00 0.00 N ATOM 0 H LYS A 52 5.659 0.802 3.720 1.00 0.00 H new ATOM 0 HA LYS A 52 6.405 0.248 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.725 2.495 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.196 1.889 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.443 1.280 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.041 1.525 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.916 3.965 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.330 3.728 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.422 2.982 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.015 3.064 9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.811 5.253 10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.356 5.517 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.182 5.111 9.580 1.00 0.00 H new ATOM 824 N ILE A 53 3.696 -0.948 5.107 1.00 0.00 N ATOM 825 CA ILE A 53 2.617 -1.956 5.226 1.00 0.00 C ATOM 826 C ILE A 53 3.233 -3.302 5.629 1.00 0.00 C ATOM 827 O ILE A 53 2.698 -4.025 6.442 1.00 0.00 O ATOM 828 CB ILE A 53 1.919 -2.034 3.838 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.557 -1.324 3.885 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.717 -3.482 3.365 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.717 0.153 4.280 1.00 0.00 C ATOM 0 H ILE A 53 3.729 -0.468 4.207 1.00 0.00 H new ATOM 0 HA ILE A 53 1.885 -1.691 5.989 1.00 0.00 H new ATOM 0 HB ILE A 53 2.578 -1.536 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.074 -1.393 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.094 -1.827 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.226 -3.482 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.685 -3.976 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.096 -4.016 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.262 0.631 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.178 0.218 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.349 0.659 3.550 1.00 0.00 H new ATOM 843 N SER A 54 4.346 -3.648 5.048 1.00 0.00 N ATOM 844 CA SER A 54 4.984 -4.959 5.377 1.00 0.00 C ATOM 845 C SER A 54 5.757 -4.870 6.695 1.00 0.00 C ATOM 846 O SER A 54 5.831 -5.826 7.441 1.00 0.00 O ATOM 847 CB SER A 54 5.943 -5.351 4.254 1.00 0.00 C ATOM 848 OG SER A 54 6.505 -6.625 4.539 1.00 0.00 O ATOM 0 H SER A 54 4.844 -3.083 4.360 1.00 0.00 H new ATOM 0 HA SER A 54 4.202 -5.711 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.414 -5.379 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.733 -4.606 4.158 1.00 0.00 H new ATOM 0 HG SER A 54 7.120 -6.880 3.819 1.00 0.00 H new ATOM 854 N GLN A 55 6.337 -3.740 6.992 1.00 0.00 N ATOM 855 CA GLN A 55 7.104 -3.619 8.265 1.00 0.00 C ATOM 856 C GLN A 55 6.133 -3.707 9.443 1.00 0.00 C ATOM 857 O GLN A 55 6.430 -4.297 10.462 1.00 0.00 O ATOM 858 CB GLN A 55 7.842 -2.271 8.296 1.00 0.00 C ATOM 859 CG GLN A 55 9.070 -2.323 7.374 1.00 0.00 C ATOM 860 CD GLN A 55 10.159 -3.191 8.010 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.090 -3.514 9.179 1.00 0.00 O ATOM 862 NE2 GLN A 55 11.169 -3.586 7.284 1.00 0.00 N ATOM 0 H GLN A 55 6.314 -2.900 6.413 1.00 0.00 H new ATOM 0 HA GLN A 55 7.835 -4.425 8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.172 -1.473 7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.152 -2.040 9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.790 -2.729 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.449 -1.316 7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.228 -3.316 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.899 -4.165 7.698 1.00 0.00 H new ATOM 871 N LEU A 56 4.973 -3.120 9.308 1.00 0.00 N ATOM 872 CA LEU A 56 3.971 -3.158 10.415 1.00 0.00 C ATOM 873 C LEU A 56 3.049 -4.369 10.228 1.00 0.00 C ATOM 874 O LEU A 56 2.468 -4.859 11.175 1.00 0.00 O ATOM 875 CB LEU A 56 3.142 -1.863 10.384 1.00 0.00 C ATOM 876 CG LEU A 56 3.931 -0.709 11.025 1.00 0.00 C ATOM 877 CD1 LEU A 56 5.319 -0.585 10.378 1.00 0.00 C ATOM 878 CD2 LEU A 56 3.157 0.598 10.828 1.00 0.00 C ATOM 0 H LEU A 56 4.675 -2.613 8.475 1.00 0.00 H new ATOM 0 HA LEU A 56 4.481 -3.243 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.887 -1.611 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.203 -2.011 10.918 1.00 0.00 H new ATOM 0 HG LEU A 56 4.057 -0.911 12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.865 0.236 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.871 -1.514 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.207 -0.389 9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.711 1.421 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.030 0.789 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.178 0.516 11.301 1.00 0.00 H new