USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 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 180:sc= -0.854 USER MOD Set 1.2: A 36 ASN : amide:sc= -5.8! C(o=-6.7!,f=-18!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.62 F(o=-3.6!,f=-2.6) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.27) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.129 F(o=-4.7!,f=-0.13) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.3) 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= -1.87! C(o=-3.3!,f=-1.9!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -1.01 (180deg=-2.07) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.07 F(o=-6.5!,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= -1.16 (180deg=-1.83) USER MOD Single : A 47 MET CE :methyl -163:sc= -0.0751 (180deg=-0.652) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.82! C(o=-6.5!,f=-2.8!) USER MOD Single : A 52 LYS NZ :NH3+ 146:sc= -0.237 (180deg=-2.66!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -6.723 0.055 8.134 1.00 0.00 N ATOM 116 CA ILE A 8 -5.638 0.967 7.664 1.00 0.00 C ATOM 117 C ILE A 8 -5.594 2.203 8.568 1.00 0.00 C ATOM 118 O ILE A 8 -4.565 2.825 8.739 1.00 0.00 O ATOM 119 CB ILE A 8 -5.924 1.409 6.219 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.277 0.193 5.341 1.00 0.00 C ATOM 121 CG2 ILE A 8 -4.705 2.135 5.645 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.116 -0.802 5.253 1.00 0.00 C ATOM 0 HA ILE A 8 -4.682 0.444 7.702 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.775 2.090 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.155 -0.308 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.541 0.532 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.915 2.445 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.485 3.013 6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.846 1.465 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.406 -1.645 4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.246 -0.309 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.869 -1.162 6.252 1.00 0.00 H new ATOM 134 N MET A 9 -6.709 2.562 9.144 1.00 0.00 N ATOM 135 CA MET A 9 -6.744 3.756 10.035 1.00 0.00 C ATOM 136 C MET A 9 -5.744 3.568 11.176 1.00 0.00 C ATOM 137 O MET A 9 -5.504 4.463 11.961 1.00 0.00 O ATOM 138 CB MET A 9 -8.152 3.919 10.611 1.00 0.00 C ATOM 139 CG MET A 9 -9.128 4.266 9.485 1.00 0.00 C ATOM 140 SD MET A 9 -10.814 4.313 10.141 1.00 0.00 S ATOM 141 CE MET A 9 -11.558 5.257 8.788 1.00 0.00 C ATOM 0 H MET A 9 -7.600 2.078 9.035 1.00 0.00 H new ATOM 0 HA MET A 9 -6.480 4.646 9.464 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.463 2.999 11.105 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.158 4.704 11.367 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.869 5.231 9.049 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.057 3.527 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.619 5.406 8.989 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.065 6.226 8.706 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.439 4.709 7.853 1.00 0.00 H new ATOM 151 N GLU A 10 -5.159 2.408 11.270 1.00 0.00 N ATOM 152 CA GLU A 10 -4.174 2.151 12.354 1.00 0.00 C ATOM 153 C GLU A 10 -2.974 3.082 12.180 1.00 0.00 C ATOM 154 O GLU A 10 -2.141 3.213 13.054 1.00 0.00 O ATOM 155 CB GLU A 10 -3.713 0.694 12.271 1.00 0.00 C ATOM 156 CG GLU A 10 -2.991 0.449 10.937 1.00 0.00 C ATOM 157 CD GLU A 10 -2.773 -1.053 10.742 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.646 -1.748 11.737 1.00 0.00 O ATOM 159 OE2 GLU A 10 -2.738 -1.483 9.602 1.00 0.00 O ATOM 0 H GLU A 10 -5.322 1.623 10.639 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.633 2.335 13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.046 0.467 13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.570 0.027 12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.580 0.852 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.034 0.970 10.928 1.00 0.00 H new ATOM 166 N ASN A 11 -2.879 3.721 11.046 1.00 0.00 N ATOM 167 CA ASN A 11 -1.734 4.639 10.786 1.00 0.00 C ATOM 168 C ASN A 11 -2.185 5.734 9.809 1.00 0.00 C ATOM 169 O ASN A 11 -2.075 5.569 8.611 1.00 0.00 O ATOM 170 CB ASN A 11 -0.593 3.837 10.150 1.00 0.00 C ATOM 171 CG ASN A 11 0.006 2.883 11.186 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.252 3.319 12.391 1.00 0.00 O flip ATOM 173 ND2 ASN A 11 0.253 1.729 10.896 1.00 0.00 N flip ATOM 0 H ASN A 11 -3.551 3.646 10.282 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.396 5.092 11.718 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.965 3.273 9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.176 4.513 9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.061 1.387 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.652 1.102 11.594 1.00 0.00 H new ATOM 180 N PRO A 12 -2.692 6.844 10.301 1.00 0.00 N ATOM 181 CA PRO A 12 -3.156 7.959 9.422 1.00 0.00 C ATOM 182 C PRO A 12 -2.151 8.253 8.303 1.00 0.00 C ATOM 183 O PRO A 12 -2.455 8.915 7.331 1.00 0.00 O ATOM 184 CB PRO A 12 -3.280 9.141 10.392 1.00 0.00 C ATOM 185 CG PRO A 12 -3.641 8.505 11.696 1.00 0.00 C ATOM 186 CD PRO A 12 -2.883 7.170 11.730 1.00 0.00 C ATOM 0 HA PRO A 12 -4.089 7.732 8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.345 9.697 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.045 9.845 10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.354 9.140 12.534 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.717 8.347 11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.930 7.263 12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.454 6.397 12.245 1.00 0.00 H new ATOM 194 N ASP A 13 -0.957 7.749 8.438 1.00 0.00 N ATOM 195 CA ASP A 13 0.081 7.971 7.394 1.00 0.00 C ATOM 196 C ASP A 13 -0.275 7.153 6.152 1.00 0.00 C ATOM 197 O ASP A 13 -0.169 7.620 5.035 1.00 0.00 O ATOM 198 CB ASP A 13 1.439 7.517 7.931 1.00 0.00 C ATOM 199 CG ASP A 13 2.534 7.871 6.922 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.724 9.050 6.674 1.00 0.00 O ATOM 201 OD2 ASP A 13 3.162 6.956 6.415 1.00 0.00 O ATOM 0 H ASP A 13 -0.653 7.188 9.234 1.00 0.00 H new ATOM 0 HA ASP A 13 0.126 9.029 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.643 7.998 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.430 6.442 8.111 1.00 0.00 H new ATOM 206 N VAL A 14 -0.703 5.932 6.341 1.00 0.00 N ATOM 207 CA VAL A 14 -1.077 5.078 5.178 1.00 0.00 C ATOM 208 C VAL A 14 -2.444 5.514 4.673 1.00 0.00 C ATOM 209 O VAL A 14 -2.699 5.553 3.487 1.00 0.00 O ATOM 210 CB VAL A 14 -1.129 3.616 5.630 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.545 2.725 4.457 1.00 0.00 C ATOM 212 CG2 VAL A 14 0.254 3.191 6.135 1.00 0.00 C ATOM 0 H VAL A 14 -0.809 5.490 7.254 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.344 5.180 4.378 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.858 3.511 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.580 1.686 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.530 3.027 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.821 2.826 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.220 2.150 6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.983 3.298 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.544 3.822 6.975 1.00 0.00 H new ATOM 222 N ALA A 15 -3.321 5.853 5.569 1.00 0.00 N ATOM 223 CA ALA A 15 -4.671 6.304 5.152 1.00 0.00 C ATOM 224 C ALA A 15 -4.525 7.550 4.277 1.00 0.00 C ATOM 225 O ALA A 15 -5.239 7.735 3.311 1.00 0.00 O ATOM 226 CB ALA A 15 -5.481 6.639 6.398 1.00 0.00 C ATOM 0 H ALA A 15 -3.160 5.837 6.576 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.179 5.522 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.477 6.972 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.565 5.752 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.982 7.432 6.954 1.00 0.00 H new ATOM 232 N MET A 16 -3.588 8.398 4.604 1.00 0.00 N ATOM 233 CA MET A 16 -3.367 9.624 3.791 1.00 0.00 C ATOM 234 C MET A 16 -2.658 9.216 2.505 1.00 0.00 C ATOM 235 O MET A 16 -2.897 9.759 1.445 1.00 0.00 O ATOM 236 CB MET A 16 -2.488 10.603 4.574 1.00 0.00 C ATOM 237 CG MET A 16 -3.308 11.271 5.686 1.00 0.00 C ATOM 238 SD MET A 16 -4.461 12.459 4.953 1.00 0.00 S ATOM 239 CE MET A 16 -4.825 13.384 6.465 1.00 0.00 C ATOM 0 H MET A 16 -2.964 8.292 5.404 1.00 0.00 H new ATOM 0 HA MET A 16 -4.317 10.107 3.563 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.637 10.076 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.086 11.361 3.902 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.856 10.517 6.252 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.645 11.777 6.388 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.532 14.183 6.241 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.259 12.713 7.206 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.904 13.814 6.859 1.00 0.00 H new ATOM 249 N ALA A 17 -1.791 8.247 2.596 1.00 0.00 N ATOM 250 CA ALA A 17 -1.069 7.779 1.386 1.00 0.00 C ATOM 251 C ALA A 17 -2.073 7.068 0.489 1.00 0.00 C ATOM 252 O ALA A 17 -2.011 7.137 -0.720 1.00 0.00 O ATOM 253 CB ALA A 17 0.041 6.810 1.799 1.00 0.00 C ATOM 0 H ALA A 17 -1.552 7.759 3.459 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.619 8.619 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.572 6.465 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.739 7.318 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.396 5.955 2.315 1.00 0.00 H new ATOM 259 N PHE A 18 -3.015 6.397 1.087 1.00 0.00 N ATOM 260 CA PHE A 18 -4.055 5.689 0.293 1.00 0.00 C ATOM 261 C PHE A 18 -4.738 6.703 -0.636 1.00 0.00 C ATOM 262 O PHE A 18 -5.335 6.346 -1.633 1.00 0.00 O ATOM 263 CB PHE A 18 -5.086 5.086 1.271 1.00 0.00 C ATOM 264 CG PHE A 18 -4.804 3.614 1.531 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.486 3.162 1.688 1.00 0.00 C ATOM 266 CD2 PHE A 18 -5.868 2.703 1.625 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.235 1.807 1.935 1.00 0.00 C ATOM 268 CE2 PHE A 18 -5.614 1.350 1.872 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.298 0.901 2.027 1.00 0.00 C ATOM 0 H PHE A 18 -3.110 6.308 2.099 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.614 4.893 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.062 5.635 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.090 5.200 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.664 3.859 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.885 3.048 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.219 1.460 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.434 0.651 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.102 -0.144 2.218 1.00 0.00 H new ATOM 279 N GLN A 19 -4.655 7.967 -0.308 1.00 0.00 N ATOM 280 CA GLN A 19 -5.297 9.014 -1.158 1.00 0.00 C ATOM 281 C GLN A 19 -4.348 9.417 -2.289 1.00 0.00 C ATOM 282 O GLN A 19 -4.489 10.470 -2.878 1.00 0.00 O ATOM 283 CB GLN A 19 -5.609 10.244 -0.300 1.00 0.00 C ATOM 284 CG GLN A 19 -6.526 9.846 0.861 1.00 0.00 C ATOM 285 CD GLN A 19 -7.899 9.443 0.319 1.00 0.00 C ATOM 286 OE1 GLN A 19 -8.508 10.180 -0.431 1.00 0.00 O ATOM 287 NE2 GLN A 19 -8.415 8.297 0.669 1.00 0.00 N ATOM 0 H GLN A 19 -4.168 8.320 0.516 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.219 8.616 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.685 10.674 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.088 11.011 -0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.086 9.018 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.629 10.678 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.904 7.678 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.330 8.020 0.313 1.00 0.00 H new ATOM 296 N ASN A 20 -3.388 8.578 -2.606 1.00 0.00 N ATOM 297 CA ASN A 20 -2.426 8.889 -3.709 1.00 0.00 C ATOM 298 C ASN A 20 -2.729 7.942 -4.876 1.00 0.00 C ATOM 299 O ASN A 20 -3.075 6.798 -4.659 1.00 0.00 O ATOM 300 CB ASN A 20 -0.992 8.654 -3.216 1.00 0.00 C ATOM 301 CG ASN A 20 -0.608 9.736 -2.202 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.539 10.489 -1.683 1.00 0.00 O flip ATOM 303 ND2 ASN A 20 0.552 9.897 -1.880 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.230 7.683 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.526 9.928 -4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.912 7.668 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.301 8.671 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.280 9.309 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.798 10.620 -1.204 1.00 0.00 H new ATOM 310 N PRO A 21 -2.621 8.391 -6.103 1.00 0.00 N ATOM 311 CA PRO A 21 -2.918 7.524 -7.278 1.00 0.00 C ATOM 312 C PRO A 21 -1.871 6.416 -7.456 1.00 0.00 C ATOM 313 O PRO A 21 -2.203 5.269 -7.677 1.00 0.00 O ATOM 314 CB PRO A 21 -2.914 8.502 -8.466 1.00 0.00 C ATOM 315 CG PRO A 21 -2.018 9.619 -8.032 1.00 0.00 C ATOM 316 CD PRO A 21 -2.210 9.748 -6.516 1.00 0.00 C ATOM 0 HA PRO A 21 -3.864 6.994 -7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.541 8.024 -9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.919 8.862 -8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.978 9.403 -8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.279 10.548 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.290 10.057 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.970 10.490 -6.269 1.00 0.00 H new ATOM 324 N ARG A 22 -0.610 6.746 -7.356 1.00 0.00 N ATOM 325 CA ARG A 22 0.444 5.701 -7.513 1.00 0.00 C ATOM 326 C ARG A 22 0.208 4.609 -6.462 1.00 0.00 C ATOM 327 O ARG A 22 0.455 3.442 -6.694 1.00 0.00 O ATOM 328 CB ARG A 22 1.837 6.336 -7.307 1.00 0.00 C ATOM 329 CG ARG A 22 2.390 6.888 -8.633 1.00 0.00 C ATOM 330 CD ARG A 22 1.579 8.107 -9.077 1.00 0.00 C ATOM 331 NE ARG A 22 1.671 9.169 -8.030 1.00 0.00 N ATOM 332 CZ ARG A 22 1.452 10.423 -8.335 1.00 0.00 C ATOM 333 NH1 ARG A 22 1.140 10.757 -9.559 1.00 0.00 N ATOM 334 NH2 ARG A 22 1.542 11.343 -7.414 1.00 0.00 N ATOM 0 H ARG A 22 -0.266 7.689 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 22 0.399 5.269 -8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.770 7.140 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.524 5.592 -6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.438 7.164 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.350 6.116 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.957 8.483 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.538 7.827 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 22 1.906 8.915 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.066 10.040 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.970 11.735 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.783 11.085 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.371 12.320 -7.651 1.00 0.00 H new ATOM 348 N VAL A 23 -0.277 4.985 -5.309 1.00 0.00 N ATOM 349 CA VAL A 23 -0.541 3.980 -4.238 1.00 0.00 C ATOM 350 C VAL A 23 -1.795 3.185 -4.602 1.00 0.00 C ATOM 351 O VAL A 23 -1.781 1.971 -4.639 1.00 0.00 O ATOM 352 CB VAL A 23 -0.746 4.702 -2.903 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.062 3.683 -1.801 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.536 5.458 -2.545 1.00 0.00 C ATOM 0 H VAL A 23 -0.503 5.949 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 23 0.305 3.299 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.578 5.400 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.207 4.204 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.971 3.139 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.234 2.981 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.400 5.976 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.362 4.752 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.760 6.185 -3.326 1.00 0.00 H new ATOM 364 N GLN A 24 -2.878 3.859 -4.890 1.00 0.00 N ATOM 365 CA GLN A 24 -4.123 3.133 -5.272 1.00 0.00 C ATOM 366 C GLN A 24 -3.797 2.208 -6.445 1.00 0.00 C ATOM 367 O GLN A 24 -4.332 1.125 -6.569 1.00 0.00 O ATOM 368 CB GLN A 24 -5.201 4.139 -5.689 1.00 0.00 C ATOM 369 CG GLN A 24 -5.693 4.906 -4.458 1.00 0.00 C ATOM 370 CD GLN A 24 -6.642 6.023 -4.895 1.00 0.00 C ATOM 371 OE1 GLN A 24 -6.228 6.979 -5.520 1.00 0.00 O ATOM 372 NE2 GLN A 24 -7.909 5.942 -4.592 1.00 0.00 N ATOM 0 H GLN A 24 -2.953 4.876 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.495 2.552 -4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.798 4.834 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.034 3.619 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.204 4.228 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.846 5.326 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.258 5.140 -4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.550 6.681 -4.880 1.00 0.00 H new ATOM 381 N ALA A 25 -2.905 2.633 -7.297 1.00 0.00 N ATOM 382 CA ALA A 25 -2.510 1.792 -8.459 1.00 0.00 C ATOM 383 C ALA A 25 -1.644 0.639 -7.961 1.00 0.00 C ATOM 384 O ALA A 25 -1.656 -0.444 -8.510 1.00 0.00 O ATOM 385 CB ALA A 25 -1.711 2.646 -9.445 1.00 0.00 C ATOM 0 H ALA A 25 -2.430 3.534 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.396 1.397 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.418 2.036 -10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.326 3.478 -9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.819 3.032 -8.952 1.00 0.00 H new ATOM 391 N ALA A 26 -0.901 0.859 -6.912 1.00 0.00 N ATOM 392 CA ALA A 26 -0.048 -0.227 -6.365 1.00 0.00 C ATOM 393 C ALA A 26 -0.958 -1.284 -5.738 1.00 0.00 C ATOM 394 O ALA A 26 -0.755 -2.471 -5.899 1.00 0.00 O ATOM 395 CB ALA A 26 0.894 0.351 -5.307 1.00 0.00 C ATOM 0 H ALA A 26 -0.849 1.746 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 26 0.550 -0.678 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.521 -0.445 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.525 1.116 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.308 0.794 -4.502 1.00 0.00 H new ATOM 401 N LEU A 27 -1.975 -0.855 -5.038 1.00 0.00 N ATOM 402 CA LEU A 27 -2.924 -1.823 -4.412 1.00 0.00 C ATOM 403 C LEU A 27 -3.772 -2.454 -5.524 1.00 0.00 C ATOM 404 O LEU A 27 -3.941 -3.654 -5.585 1.00 0.00 O ATOM 405 CB LEU A 27 -3.833 -1.071 -3.403 1.00 0.00 C ATOM 406 CG LEU A 27 -3.610 -1.583 -1.966 1.00 0.00 C ATOM 407 CD1 LEU A 27 -2.218 -1.171 -1.462 1.00 0.00 C ATOM 408 CD2 LEU A 27 -4.679 -0.980 -1.048 1.00 0.00 C ATOM 0 H LEU A 27 -2.190 0.128 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.381 -2.603 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.625 -0.002 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.878 -1.204 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.680 -2.671 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.075 -1.540 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.455 -1.597 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.136 -0.084 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.528 -1.338 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.603 0.107 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.668 -1.280 -1.395 1.00 0.00 H new ATOM 420 N MET A 28 -4.299 -1.650 -6.407 1.00 0.00 N ATOM 421 CA MET A 28 -5.125 -2.202 -7.516 1.00 0.00 C ATOM 422 C MET A 28 -4.276 -3.193 -8.314 1.00 0.00 C ATOM 423 O MET A 28 -4.738 -4.243 -8.714 1.00 0.00 O ATOM 424 CB MET A 28 -5.588 -1.058 -8.428 1.00 0.00 C ATOM 425 CG MET A 28 -6.638 -1.569 -9.422 1.00 0.00 C ATOM 426 SD MET A 28 -8.184 -1.916 -8.545 1.00 0.00 S ATOM 427 CE MET A 28 -9.192 -2.285 -10.002 1.00 0.00 C ATOM 0 H MET A 28 -4.193 -0.636 -6.408 1.00 0.00 H new ATOM 0 HA MET A 28 -6.001 -2.710 -7.113 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.007 -0.251 -7.827 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.736 -0.645 -8.968 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.809 -0.826 -10.201 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.278 -2.471 -9.916 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.207 -2.531 -9.689 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.215 -1.415 -10.658 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.762 -3.131 -10.537 1.00 0.00 H new ATOM 437 N GLU A 29 -3.031 -2.868 -8.538 1.00 0.00 N ATOM 438 CA GLU A 29 -2.143 -3.791 -9.297 1.00 0.00 C ATOM 439 C GLU A 29 -1.790 -4.979 -8.402 1.00 0.00 C ATOM 440 O GLU A 29 -1.513 -6.064 -8.873 1.00 0.00 O ATOM 441 CB GLU A 29 -0.863 -3.049 -9.704 1.00 0.00 C ATOM 442 CG GLU A 29 -0.045 -3.907 -10.680 1.00 0.00 C ATOM 443 CD GLU A 29 -0.760 -3.978 -12.032 1.00 0.00 C ATOM 444 OE1 GLU A 29 -1.316 -2.972 -12.439 1.00 0.00 O ATOM 445 OE2 GLU A 29 -0.738 -5.038 -12.635 1.00 0.00 O ATOM 0 H GLU A 29 -2.591 -2.002 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.650 -4.144 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.117 -2.097 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.268 -2.822 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.950 -3.481 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.086 -4.910 -10.275 1.00 0.00 H new ATOM 452 N CYS A 30 -1.798 -4.783 -7.111 1.00 0.00 N ATOM 453 CA CYS A 30 -1.462 -5.908 -6.188 1.00 0.00 C ATOM 454 C CYS A 30 -2.425 -7.073 -6.436 1.00 0.00 C ATOM 455 O CYS A 30 -2.032 -8.222 -6.454 1.00 0.00 O ATOM 456 CB CYS A 30 -1.583 -5.438 -4.735 1.00 0.00 C ATOM 457 SG CYS A 30 -0.836 -6.670 -3.640 1.00 0.00 S ATOM 0 H CYS A 30 -2.021 -3.898 -6.656 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.439 -6.236 -6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.087 -4.476 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.631 -5.292 -4.475 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.936 -6.272 -2.407 1.00 0.00 H new ATOM 463 N SER A 31 -3.684 -6.783 -6.626 1.00 0.00 N ATOM 464 CA SER A 31 -4.676 -7.861 -6.868 1.00 0.00 C ATOM 465 C SER A 31 -4.193 -8.773 -8.001 1.00 0.00 C ATOM 466 O SER A 31 -4.510 -9.945 -8.044 1.00 0.00 O ATOM 467 CB SER A 31 -6.018 -7.239 -7.254 1.00 0.00 C ATOM 468 OG SER A 31 -6.905 -8.265 -7.680 1.00 0.00 O ATOM 0 H SER A 31 -4.067 -5.838 -6.623 1.00 0.00 H new ATOM 0 HA SER A 31 -4.792 -8.451 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.443 -6.705 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.878 -6.509 -8.051 1.00 0.00 H new ATOM 0 HG SER A 31 -7.767 -7.870 -7.927 1.00 0.00 H new ATOM 474 N GLU A 32 -3.431 -8.244 -8.920 1.00 0.00 N ATOM 475 CA GLU A 32 -2.934 -9.084 -10.048 1.00 0.00 C ATOM 476 C GLU A 32 -1.927 -10.104 -9.523 1.00 0.00 C ATOM 477 O GLU A 32 -2.072 -11.293 -9.720 1.00 0.00 O ATOM 478 CB GLU A 32 -2.238 -8.194 -11.081 1.00 0.00 C ATOM 479 CG GLU A 32 -3.220 -7.141 -11.604 1.00 0.00 C ATOM 480 CD GLU A 32 -4.317 -7.822 -12.425 1.00 0.00 C ATOM 481 OE1 GLU A 32 -3.980 -8.652 -13.253 1.00 0.00 O ATOM 482 OE2 GLU A 32 -5.475 -7.502 -12.211 1.00 0.00 O ATOM 0 H GLU A 32 -3.132 -7.269 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.778 -9.599 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.373 -7.706 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.867 -8.801 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.662 -6.596 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.693 -6.411 -12.218 1.00 0.00 H new ATOM 489 N ASN A 33 -0.901 -9.642 -8.863 1.00 0.00 N ATOM 490 CA ASN A 33 0.132 -10.575 -8.329 1.00 0.00 C ATOM 491 C ASN A 33 1.264 -9.744 -7.707 1.00 0.00 C ATOM 492 O ASN A 33 1.435 -8.589 -8.044 1.00 0.00 O ATOM 493 CB ASN A 33 0.688 -11.441 -9.485 1.00 0.00 C ATOM 494 CG ASN A 33 0.669 -10.639 -10.790 1.00 0.00 C ATOM 495 OD1 ASN A 33 0.800 -9.341 -10.746 1.00 0.00 O flip ATOM 496 ND2 ASN A 33 0.533 -11.200 -11.859 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.733 -8.655 -8.670 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.303 -11.230 -7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.706 -11.758 -9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.089 -12.345 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.431 -12.214 -11.893 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.521 -10.657 -12.722 1.00 0.00 H new ATOM 503 N PRO A 34 2.040 -10.314 -6.813 1.00 0.00 N ATOM 504 CA PRO A 34 3.171 -9.588 -6.163 1.00 0.00 C ATOM 505 C PRO A 34 4.047 -8.863 -7.196 1.00 0.00 C ATOM 506 O PRO A 34 4.920 -8.092 -6.851 1.00 0.00 O ATOM 507 CB PRO A 34 3.962 -10.691 -5.417 1.00 0.00 C ATOM 508 CG PRO A 34 3.383 -11.997 -5.887 1.00 0.00 C ATOM 509 CD PRO A 34 1.946 -11.696 -6.311 1.00 0.00 C ATOM 0 HA PRO A 34 2.823 -8.806 -5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.026 -10.631 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.860 -10.584 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.958 -12.401 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.407 -12.742 -5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.598 -12.384 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.252 -11.777 -5.475 1.00 0.00 H new ATOM 517 N MET A 35 3.819 -9.105 -8.460 1.00 0.00 N ATOM 518 CA MET A 35 4.634 -8.429 -9.505 1.00 0.00 C ATOM 519 C MET A 35 4.364 -6.929 -9.446 1.00 0.00 C ATOM 520 O MET A 35 5.015 -6.140 -10.101 1.00 0.00 O ATOM 521 CB MET A 35 4.248 -8.966 -10.885 1.00 0.00 C ATOM 522 CG MET A 35 4.518 -10.471 -10.942 1.00 0.00 C ATOM 523 SD MET A 35 3.989 -11.119 -12.547 1.00 0.00 S ATOM 524 CE MET A 35 4.897 -12.682 -12.471 1.00 0.00 C ATOM 0 H MET A 35 3.104 -9.742 -8.811 1.00 0.00 H new ATOM 0 HA MET A 35 5.693 -8.622 -9.331 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.195 -8.767 -11.082 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.820 -8.454 -11.659 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.580 -10.667 -10.791 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.983 -10.978 -10.139 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.712 -13.255 -13.380 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.964 -12.479 -12.381 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.563 -13.255 -11.606 1.00 0.00 H new ATOM 534 N ASN A 36 3.403 -6.531 -8.659 1.00 0.00 N ATOM 535 CA ASN A 36 3.081 -5.083 -8.548 1.00 0.00 C ATOM 536 C ASN A 36 4.325 -4.315 -8.109 1.00 0.00 C ATOM 537 O ASN A 36 4.765 -3.391 -8.764 1.00 0.00 O ATOM 538 CB ASN A 36 1.977 -4.875 -7.502 1.00 0.00 C ATOM 539 CG ASN A 36 2.288 -5.692 -6.244 1.00 0.00 C ATOM 540 OD1 ASN A 36 3.191 -6.505 -6.236 1.00 0.00 O ATOM 541 ND2 ASN A 36 1.573 -5.506 -5.169 1.00 0.00 N ATOM 0 H ASN A 36 2.826 -7.148 -8.087 1.00 0.00 H new ATOM 0 HA ASN A 36 2.742 -4.720 -9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.899 -3.818 -7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.014 -5.177 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.773 -6.042 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.814 -4.824 -5.173 1.00 0.00 H new ATOM 548 N ILE A 37 4.877 -4.680 -6.989 1.00 0.00 N ATOM 549 CA ILE A 37 6.074 -3.964 -6.481 1.00 0.00 C ATOM 550 C ILE A 37 7.262 -4.201 -7.417 1.00 0.00 C ATOM 551 O ILE A 37 8.188 -3.419 -7.464 1.00 0.00 O ATOM 552 CB ILE A 37 6.388 -4.466 -5.057 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.304 -3.461 -4.334 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.071 -5.843 -5.109 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.575 -2.123 -4.106 1.00 0.00 C ATOM 0 H ILE A 37 4.549 -5.447 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 37 5.881 -2.892 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 37 5.450 -4.559 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.622 -3.875 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.205 -3.294 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.285 -6.181 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.410 -6.559 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.002 -5.766 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.241 -1.428 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.280 -1.701 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.688 -2.291 -3.496 1.00 0.00 H new ATOM 567 N MET A 38 7.242 -5.266 -8.168 1.00 0.00 N ATOM 568 CA MET A 38 8.374 -5.539 -9.099 1.00 0.00 C ATOM 569 C MET A 38 8.375 -4.502 -10.227 1.00 0.00 C ATOM 570 O MET A 38 8.856 -4.756 -11.313 1.00 0.00 O ATOM 571 CB MET A 38 8.217 -6.941 -9.694 1.00 0.00 C ATOM 572 CG MET A 38 8.318 -7.990 -8.583 1.00 0.00 C ATOM 573 SD MET A 38 10.021 -8.068 -7.974 1.00 0.00 S ATOM 574 CE MET A 38 9.760 -9.357 -6.732 1.00 0.00 C ATOM 0 H MET A 38 6.493 -5.958 -8.178 1.00 0.00 H new ATOM 0 HA MET A 38 9.315 -5.478 -8.552 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.255 -7.026 -10.200 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.989 -7.116 -10.444 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.641 -7.737 -7.767 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.011 -8.965 -8.961 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.701 -9.568 -6.223 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.022 -9.018 -6.005 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.399 -10.263 -7.218 1.00 0.00 H new ATOM 584 N LYS A 39 7.839 -3.332 -9.981 1.00 0.00 N ATOM 585 CA LYS A 39 7.807 -2.275 -11.036 1.00 0.00 C ATOM 586 C LYS A 39 7.820 -0.895 -10.372 1.00 0.00 C ATOM 587 O LYS A 39 8.421 0.034 -10.870 1.00 0.00 O ATOM 588 CB LYS A 39 6.529 -2.419 -11.872 1.00 0.00 C ATOM 589 CG LYS A 39 6.549 -3.747 -12.646 1.00 0.00 C ATOM 590 CD LYS A 39 5.460 -3.744 -13.728 1.00 0.00 C ATOM 591 CE LYS A 39 4.088 -3.465 -13.098 1.00 0.00 C ATOM 592 NZ LYS A 39 3.955 -4.231 -11.826 1.00 0.00 N ATOM 0 H LYS A 39 7.421 -3.064 -9.090 1.00 0.00 H new ATOM 0 HA LYS A 39 8.679 -2.383 -11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.654 -2.381 -11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.445 -1.585 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.527 -3.895 -13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.389 -4.579 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.685 -2.986 -14.478 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.444 -4.706 -14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.976 -2.398 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.295 -3.749 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.960 -4.497 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.539 -5.090 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.273 -3.641 -11.031 1.00 0.00 H new ATOM 606 N TYR A 40 7.153 -0.750 -9.254 1.00 0.00 N ATOM 607 CA TYR A 40 7.119 0.573 -8.563 1.00 0.00 C ATOM 608 C TYR A 40 8.344 0.727 -7.660 1.00 0.00 C ATOM 609 O TYR A 40 8.484 1.711 -6.960 1.00 0.00 O ATOM 610 CB TYR A 40 5.848 0.671 -7.715 1.00 0.00 C ATOM 611 CG TYR A 40 4.654 0.290 -8.557 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.297 1.096 -9.641 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.906 -0.859 -8.260 1.00 0.00 C ATOM 614 CE1 TYR A 40 3.196 0.760 -10.433 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.804 -1.196 -9.054 1.00 0.00 C ATOM 616 CZ TYR A 40 2.448 -0.387 -10.141 1.00 0.00 C ATOM 617 OH TYR A 40 1.361 -0.720 -10.923 1.00 0.00 O ATOM 0 H TYR A 40 6.630 -1.493 -8.790 1.00 0.00 H new ATOM 0 HA TYR A 40 7.126 1.365 -9.311 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.923 0.012 -6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.729 1.685 -7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.873 1.981 -9.867 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.180 -1.482 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.922 1.385 -11.270 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.227 -2.081 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 40 1.507 -0.402 -11.838 1.00 0.00 H new ATOM 627 N GLN A 41 9.238 -0.228 -7.666 1.00 0.00 N ATOM 628 CA GLN A 41 10.453 -0.115 -6.804 1.00 0.00 C ATOM 629 C GLN A 41 11.117 1.243 -7.065 1.00 0.00 C ATOM 630 O GLN A 41 11.812 1.780 -6.226 1.00 0.00 O ATOM 631 CB GLN A 41 11.431 -1.258 -7.143 1.00 0.00 C ATOM 632 CG GLN A 41 11.148 -2.482 -6.258 1.00 0.00 C ATOM 633 CD GLN A 41 11.615 -2.206 -4.827 1.00 0.00 C ATOM 634 OE1 GLN A 41 12.652 -1.607 -4.618 1.00 0.00 O ATOM 635 NE2 GLN A 41 10.889 -2.621 -3.825 1.00 0.00 N ATOM 0 H GLN A 41 9.180 -1.077 -8.228 1.00 0.00 H new ATOM 0 HA GLN A 41 10.177 -0.189 -5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.333 -1.530 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.458 -0.923 -6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.082 -2.709 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.662 -3.357 -6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.019 -3.124 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.192 -2.443 -2.867 1.00 0.00 H new ATOM 644 N ASN A 42 10.891 1.804 -8.223 1.00 0.00 N ATOM 645 CA ASN A 42 11.488 3.132 -8.546 1.00 0.00 C ATOM 646 C ASN A 42 10.576 4.230 -7.997 1.00 0.00 C ATOM 647 O ASN A 42 11.027 5.287 -7.601 1.00 0.00 O ATOM 648 CB ASN A 42 11.622 3.281 -10.067 1.00 0.00 C ATOM 649 CG ASN A 42 10.235 3.281 -10.716 1.00 0.00 C ATOM 650 OD1 ASN A 42 9.452 2.250 -10.556 1.00 0.00 O flip ATOM 651 ND2 ASN A 42 9.861 4.231 -11.376 1.00 0.00 N flip ATOM 0 H ASN A 42 10.316 1.398 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 42 12.476 3.214 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.144 4.207 -10.306 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.221 2.464 -10.470 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.473 5.037 -11.501 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.935 4.222 -11.804 1.00 0.00 H new ATOM 658 N ASP A 43 9.291 3.985 -7.965 1.00 0.00 N ATOM 659 CA ASP A 43 8.352 5.013 -7.437 1.00 0.00 C ATOM 660 C ASP A 43 8.585 5.169 -5.927 1.00 0.00 C ATOM 661 O ASP A 43 8.051 4.430 -5.122 1.00 0.00 O ATOM 662 CB ASP A 43 6.909 4.564 -7.720 1.00 0.00 C ATOM 663 CG ASP A 43 5.976 5.779 -7.729 1.00 0.00 C ATOM 664 OD1 ASP A 43 5.696 6.295 -6.661 1.00 0.00 O ATOM 665 OD2 ASP A 43 5.564 6.174 -8.807 1.00 0.00 O ATOM 0 H ASP A 43 8.855 3.119 -8.281 1.00 0.00 H new ATOM 0 HA ASP A 43 8.522 5.974 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.861 4.051 -8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.585 3.852 -6.961 1.00 0.00 H new ATOM 670 N LYS A 44 9.405 6.111 -5.548 1.00 0.00 N ATOM 671 CA LYS A 44 9.724 6.320 -4.110 1.00 0.00 C ATOM 672 C LYS A 44 8.449 6.411 -3.261 1.00 0.00 C ATOM 673 O LYS A 44 8.454 6.082 -2.092 1.00 0.00 O ATOM 674 CB LYS A 44 10.529 7.616 -3.964 1.00 0.00 C ATOM 675 CG LYS A 44 11.162 7.690 -2.566 1.00 0.00 C ATOM 676 CD LYS A 44 11.714 9.099 -2.308 1.00 0.00 C ATOM 677 CE LYS A 44 12.713 9.488 -3.408 1.00 0.00 C ATOM 678 NZ LYS A 44 13.578 8.319 -3.736 1.00 0.00 N ATOM 0 H LYS A 44 9.874 6.754 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 44 10.304 5.468 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.307 7.658 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.879 8.477 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.419 7.438 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.964 6.956 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.896 9.818 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.203 9.133 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.178 9.818 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.327 10.325 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.467 8.653 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.788 7.788 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.084 7.700 -4.410 1.00 0.00 H new ATOM 692 N GLU A 45 7.365 6.864 -3.821 1.00 0.00 N ATOM 693 CA GLU A 45 6.113 6.977 -3.017 1.00 0.00 C ATOM 694 C GLU A 45 5.572 5.578 -2.704 1.00 0.00 C ATOM 695 O GLU A 45 5.180 5.284 -1.593 1.00 0.00 O ATOM 696 CB GLU A 45 5.068 7.770 -3.815 1.00 0.00 C ATOM 697 CG GLU A 45 3.880 8.134 -2.913 1.00 0.00 C ATOM 698 CD GLU A 45 4.305 9.198 -1.897 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.797 10.230 -2.321 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.133 8.960 -0.713 1.00 0.00 O ATOM 0 H GLU A 45 7.288 7.160 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 45 6.326 7.494 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.519 8.676 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.723 7.180 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.053 8.506 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.521 7.246 -2.394 1.00 0.00 H new ATOM 707 N VAL A 46 5.539 4.718 -3.680 1.00 0.00 N ATOM 708 CA VAL A 46 5.007 3.345 -3.454 1.00 0.00 C ATOM 709 C VAL A 46 5.987 2.513 -2.635 1.00 0.00 C ATOM 710 O VAL A 46 5.584 1.706 -1.840 1.00 0.00 O ATOM 711 CB VAL A 46 4.796 2.650 -4.797 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.141 1.281 -4.577 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.897 3.510 -5.685 1.00 0.00 C ATOM 0 H VAL A 46 5.859 4.906 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 46 4.064 3.432 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 46 5.762 2.512 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.993 0.790 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.786 0.665 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.177 1.414 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.748 3.012 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.933 3.653 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.368 4.479 -5.850 1.00 0.00 H new ATOM 723 N MET A 47 7.265 2.673 -2.830 1.00 0.00 N ATOM 724 CA MET A 47 8.223 1.836 -2.048 1.00 0.00 C ATOM 725 C MET A 47 8.100 2.192 -0.571 1.00 0.00 C ATOM 726 O MET A 47 8.016 1.333 0.273 1.00 0.00 O ATOM 727 CB MET A 47 9.669 2.037 -2.566 1.00 0.00 C ATOM 728 CG MET A 47 10.356 3.229 -1.885 1.00 0.00 C ATOM 729 SD MET A 47 11.929 3.566 -2.717 1.00 0.00 S ATOM 730 CE MET A 47 12.697 4.508 -1.377 1.00 0.00 C ATOM 0 H MET A 47 7.685 3.334 -3.484 1.00 0.00 H new ATOM 0 HA MET A 47 7.982 0.781 -2.175 1.00 0.00 H new ATOM 0 HB2 MET A 47 10.249 1.132 -2.386 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.651 2.195 -3.644 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.713 4.108 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.528 3.011 -0.831 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.545 5.071 -1.767 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.968 5.198 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 47 13.042 3.823 -0.602 1.00 0.00 H new ATOM 740 N ASP A 48 8.073 3.449 -0.258 1.00 0.00 N ATOM 741 CA ASP A 48 7.942 3.858 1.164 1.00 0.00 C ATOM 742 C ASP A 48 6.616 3.330 1.722 1.00 0.00 C ATOM 743 O ASP A 48 6.508 2.972 2.881 1.00 0.00 O ATOM 744 CB ASP A 48 7.957 5.393 1.231 1.00 0.00 C ATOM 745 CG ASP A 48 9.396 5.906 1.121 1.00 0.00 C ATOM 746 OD1 ASP A 48 10.256 5.350 1.785 1.00 0.00 O ATOM 747 OD2 ASP A 48 9.613 6.847 0.375 1.00 0.00 O ATOM 0 H ASP A 48 8.136 4.217 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 48 8.764 3.452 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.352 5.807 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.513 5.729 2.168 1.00 0.00 H new ATOM 752 N VAL A 49 5.605 3.290 0.904 1.00 0.00 N ATOM 753 CA VAL A 49 4.274 2.813 1.368 1.00 0.00 C ATOM 754 C VAL A 49 4.256 1.286 1.462 1.00 0.00 C ATOM 755 O VAL A 49 3.930 0.719 2.483 1.00 0.00 O ATOM 756 CB VAL A 49 3.235 3.288 0.344 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.865 2.660 0.636 1.00 0.00 C ATOM 758 CG2 VAL A 49 3.137 4.823 0.401 1.00 0.00 C ATOM 0 H VAL A 49 5.643 3.570 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 49 4.052 3.210 2.359 1.00 0.00 H new ATOM 0 HB VAL A 49 3.546 2.977 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.141 3.008 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.944 1.574 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.537 2.951 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.400 5.168 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.833 5.131 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.108 5.259 0.167 1.00 0.00 H new ATOM 768 N PHE A 50 4.591 0.625 0.400 1.00 0.00 N ATOM 769 CA PHE A 50 4.581 -0.860 0.403 1.00 0.00 C ATOM 770 C PHE A 50 5.638 -1.374 1.384 1.00 0.00 C ATOM 771 O PHE A 50 5.512 -2.449 1.940 1.00 0.00 O ATOM 772 CB PHE A 50 4.835 -1.372 -1.036 1.00 0.00 C ATOM 773 CG PHE A 50 3.538 -1.912 -1.599 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.530 -1.019 -1.973 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.331 -3.293 -1.722 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.317 -1.499 -2.471 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.117 -3.774 -2.224 1.00 0.00 C ATOM 778 CZ PHE A 50 1.109 -2.877 -2.598 1.00 0.00 C ATOM 0 H PHE A 50 4.875 1.052 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 50 3.611 -1.236 0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.211 -0.564 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.597 -2.151 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.690 0.045 -1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.107 -3.984 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.539 -0.807 -2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.957 -4.838 -2.323 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.171 -3.248 -2.984 1.00 0.00 H new ATOM 788 N ASN A 51 6.664 -0.606 1.623 1.00 0.00 N ATOM 789 CA ASN A 51 7.710 -1.047 2.590 1.00 0.00 C ATOM 790 C ASN A 51 7.195 -0.791 4.000 1.00 0.00 C ATOM 791 O ASN A 51 7.571 -1.461 4.939 1.00 0.00 O ATOM 792 CB ASN A 51 9.005 -0.260 2.372 1.00 0.00 C ATOM 793 CG ASN A 51 9.611 -0.636 1.018 1.00 0.00 C ATOM 794 OD1 ASN A 51 8.831 -1.059 0.062 1.00 0.00 O flip ATOM 795 ND2 ASN A 51 10.808 -0.542 0.828 1.00 0.00 N flip ATOM 0 H ASN A 51 6.824 0.305 1.193 1.00 0.00 H new ATOM 0 HA ASN A 51 7.920 -2.107 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.802 0.810 2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.713 -0.476 3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.419 -0.211 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.202 -0.794 -0.079 1.00 0.00 H new ATOM 802 N LYS A 52 6.316 0.165 4.156 1.00 0.00 N ATOM 803 CA LYS A 52 5.764 0.441 5.510 1.00 0.00 C ATOM 804 C LYS A 52 4.690 -0.597 5.786 1.00 0.00 C ATOM 805 O LYS A 52 4.642 -1.223 6.823 1.00 0.00 O ATOM 806 CB LYS A 52 5.149 1.844 5.551 1.00 0.00 C ATOM 807 CG LYS A 52 4.484 2.073 6.916 1.00 0.00 C ATOM 808 CD LYS A 52 4.169 3.561 7.100 1.00 0.00 C ATOM 809 CE LYS A 52 3.574 3.792 8.492 1.00 0.00 C ATOM 810 NZ LYS A 52 3.476 5.256 8.752 1.00 0.00 N ATOM 0 H LYS A 52 5.960 0.761 3.409 1.00 0.00 H new ATOM 0 HA LYS A 52 6.553 0.391 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.920 2.595 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.414 1.954 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.568 1.487 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.143 1.731 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.076 4.153 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.468 3.892 6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.588 3.333 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.198 3.318 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.633 5.450 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.325 5.576 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.401 5.765 7.848 1.00 0.00 H new ATOM 824 N ILE A 53 3.835 -0.785 4.833 1.00 0.00 N ATOM 825 CA ILE A 53 2.743 -1.779 4.965 1.00 0.00 C ATOM 826 C ILE A 53 3.339 -3.122 5.411 1.00 0.00 C ATOM 827 O ILE A 53 2.791 -3.809 6.247 1.00 0.00 O ATOM 828 CB ILE A 53 2.062 -1.894 3.572 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.740 -1.114 3.567 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.791 -3.353 3.172 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.975 0.352 3.959 1.00 0.00 C ATOM 0 H ILE A 53 3.845 -0.281 3.946 1.00 0.00 H new ATOM 0 HA ILE A 53 2.006 -1.480 5.710 1.00 0.00 H new ATOM 0 HB ILE A 53 2.753 -1.471 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.287 -1.163 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.038 -1.574 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.315 -3.379 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.733 -3.900 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.133 -3.816 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.026 0.888 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.407 0.397 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.659 0.814 3.247 1.00 0.00 H new ATOM 843 N SER A 54 4.443 -3.507 4.836 1.00 0.00 N ATOM 844 CA SER A 54 5.060 -4.818 5.199 1.00 0.00 C ATOM 845 C SER A 54 5.868 -4.721 6.500 1.00 0.00 C ATOM 846 O SER A 54 6.030 -5.700 7.202 1.00 0.00 O ATOM 847 CB SER A 54 5.980 -5.266 4.064 1.00 0.00 C ATOM 848 OG SER A 54 6.710 -6.414 4.476 1.00 0.00 O ATOM 0 H SER A 54 4.947 -2.972 4.129 1.00 0.00 H new ATOM 0 HA SER A 54 4.260 -5.542 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.394 -5.494 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.665 -4.462 3.797 1.00 0.00 H new ATOM 0 HG SER A 54 7.300 -6.705 3.749 1.00 0.00 H new ATOM 854 N GLN A 55 6.387 -3.567 6.835 1.00 0.00 N ATOM 855 CA GLN A 55 7.185 -3.455 8.093 1.00 0.00 C ATOM 856 C GLN A 55 6.228 -3.436 9.282 1.00 0.00 C ATOM 857 O GLN A 55 6.520 -3.964 10.337 1.00 0.00 O ATOM 858 CB GLN A 55 8.014 -2.160 8.064 1.00 0.00 C ATOM 859 CG GLN A 55 9.277 -2.366 7.214 1.00 0.00 C ATOM 860 CD GLN A 55 9.954 -1.017 6.961 1.00 0.00 C ATOM 861 OE1 GLN A 55 9.326 -0.086 6.498 1.00 0.00 O ATOM 862 NE2 GLN A 55 11.219 -0.872 7.247 1.00 0.00 N ATOM 0 H GLN A 55 6.294 -2.705 6.297 1.00 0.00 H new ATOM 0 HA GLN A 55 7.863 -4.304 8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.418 -1.345 7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.291 -1.872 9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.965 -3.039 7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.016 -2.836 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.747 -1.653 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.680 0.023 7.082 1.00 0.00 H new ATOM 871 N LEU A 56 5.083 -2.833 9.116 1.00 0.00 N ATOM 872 CA LEU A 56 4.091 -2.774 10.228 1.00 0.00 C ATOM 873 C LEU A 56 3.160 -3.987 10.129 1.00 0.00 C ATOM 874 O LEU A 56 2.617 -4.439 11.117 1.00 0.00 O ATOM 875 CB LEU A 56 3.275 -1.474 10.108 1.00 0.00 C ATOM 876 CG LEU A 56 4.091 -0.262 10.613 1.00 0.00 C ATOM 877 CD1 LEU A 56 4.276 -0.321 12.143 1.00 0.00 C ATOM 878 CD2 LEU A 56 5.470 -0.226 9.929 1.00 0.00 C ATOM 0 H LEU A 56 4.790 -2.376 8.253 1.00 0.00 H new ATOM 0 HA LEU A 56 4.603 -2.788 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.986 -1.316 9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.354 -1.563 10.685 1.00 0.00 H new ATOM 0 HG LEU A 56 3.538 0.643 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.853 0.543 12.473 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.300 -0.312 12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.806 -1.235 12.410 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.035 0.632 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.014 -1.142 10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.339 -0.142 8.850 1.00 0.00 H new