USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 969 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 59 ASN : amide:sc= 0.993 K(o=2.2,f=-1.1) USER MOD Set 1.2: B 66 GLN : amide:sc= 1.16 K(o=2.2,f=-0.094) USER MOD Set 2.1: B 47 THR OG1 : rot -75:sc= 0.827 USER MOD Set 2.2: B 48 SER OG : rot 82:sc= 0.15 USER MOD Set 3.1: A 47 THR OG1 : rot -87:sc= 1.28 USER MOD Set 3.2: A 48 SER OG : rot 84:sc= 0.653 USER MOD Set 4.1: A 39 ASN : amide:sc= -0.142 K(o=0.81,f=-0.73) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.957 K(o=0.81,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.786 K(o=-0.79,f=-5.3!) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.03) USER MOD Single : A 26 HIS : no HD1:sc= 0.922 K(o=0.92,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 33 SER OG : rot 68:sc= 1.18 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -162:sc= -0.07 (180deg=-0.485) USER MOD Single : A 42 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 53 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.54) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 60 SER OG : rot -81:sc= 0.306 USER MOD Single : A 66 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.2) USER MOD Single : A 67 SER OG : rot 74:sc= 1.33 USER MOD Single : A 68 SER OG : rot 81:sc= 1.26 USER MOD Single : B 8 SER OG : rot 35:sc= 0.248 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 14 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : B 21 ASN : amide:sc= 0.513 K(o=0.51,f=-0.35) USER MOD Single : B 25 LYS NZ :NH3+ 172:sc=-0.00616 (180deg=-0.098) USER MOD Single : B 26 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : B 33 SER OG : rot 25:sc= -0.384 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 40 MET CE :methyl -162:sc= -0.274 (180deg=-0.554) USER MOD Single : B 42 THR OG1 : rot 70:sc= 1.27 USER MOD Single : B 43 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.96!) USER MOD Single : B 46 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 53 GLN : amide:sc= -1.52! C(o=-1.5!,f=-7.6!) USER MOD Single : B 55 GLN : amide:sc=-0.000414 K(o=-0.00041,f=-0.93) USER MOD Single : B 59 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : B 60 SER OG : rot 15:sc= 0.504 USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot -36:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -11.609 8.600 13.978 1.00 0.00 N ATOM 138 CA ASP A 9 -12.206 8.108 12.733 1.00 0.00 C ATOM 139 C ASP A 9 -12.478 9.240 11.747 1.00 0.00 C ATOM 140 O ASP A 9 -12.216 9.108 10.552 1.00 0.00 O ATOM 141 CB ASP A 9 -13.510 7.369 13.043 1.00 0.00 C ATOM 142 CG ASP A 9 -14.267 6.957 11.795 1.00 0.00 C ATOM 143 OD1 ASP A 9 -13.939 5.900 11.217 1.00 0.00 O ATOM 144 OD2 ASP A 9 -15.210 7.676 11.401 1.00 0.00 O ATOM 0 HA ASP A 9 -11.493 7.427 12.269 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.287 6.482 13.636 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.147 8.008 13.654 1.00 0.00 H new ATOM 149 N GLU A 10 -12.987 10.353 12.262 1.00 0.00 N ATOM 150 CA GLU A 10 -13.307 11.517 11.441 1.00 0.00 C ATOM 151 C GLU A 10 -12.079 12.005 10.675 1.00 0.00 C ATOM 152 O GLU A 10 -12.145 12.257 9.471 1.00 0.00 O ATOM 153 CB GLU A 10 -13.844 12.640 12.324 1.00 0.00 C ATOM 154 CG GLU A 10 -15.114 12.274 13.067 1.00 0.00 C ATOM 155 CD GLU A 10 -15.385 13.201 14.232 1.00 0.00 C ATOM 156 OE1 GLU A 10 -15.579 14.411 14.012 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.385 12.723 15.384 1.00 0.00 O ATOM 0 H GLU A 10 -13.189 10.475 13.254 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.067 11.225 10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.078 12.920 13.047 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.035 13.517 11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.957 12.305 12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.037 11.249 13.431 1.00 0.00 H new ATOM 164 N GLN A 11 -10.961 12.127 11.381 1.00 0.00 N ATOM 165 CA GLN A 11 -9.719 12.595 10.778 1.00 0.00 C ATOM 166 C GLN A 11 -9.165 11.566 9.796 1.00 0.00 C ATOM 167 O GLN A 11 -8.645 11.925 8.740 1.00 0.00 O ATOM 168 CB GLN A 11 -8.691 12.908 11.867 1.00 0.00 C ATOM 169 CG GLN A 11 -7.391 13.487 11.334 1.00 0.00 C ATOM 170 CD GLN A 11 -6.485 13.986 12.439 1.00 0.00 C ATOM 171 OE1 GLN A 11 -6.552 15.150 12.832 1.00 0.00 O ATOM 172 NE2 GLN A 11 -5.631 13.111 12.949 1.00 0.00 N ATOM 0 H GLN A 11 -10.889 11.908 12.375 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.930 13.508 10.221 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.128 13.612 12.575 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.472 11.995 12.420 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.868 12.726 10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.615 14.308 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.608 12.155 12.594 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.997 13.393 13.696 1.00 0.00 H new ATOM 181 N VAL A 12 -9.281 10.287 10.144 1.00 0.00 N ATOM 182 CA VAL A 12 -8.872 9.217 9.242 1.00 0.00 C ATOM 183 C VAL A 12 -9.703 9.275 7.966 1.00 0.00 C ATOM 184 O VAL A 12 -9.181 9.127 6.861 1.00 0.00 O ATOM 185 CB VAL A 12 -9.023 7.827 9.899 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.609 6.722 8.935 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.206 7.747 11.180 1.00 0.00 C ATOM 0 H VAL A 12 -9.653 9.969 11.039 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.818 9.363 9.006 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.074 7.686 10.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.724 5.753 9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.239 6.759 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.567 6.862 8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.326 6.760 11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.154 7.916 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.552 8.507 11.880 1.00 0.00 H new ATOM 197 N GLU A 13 -10.998 9.515 8.136 1.00 0.00 N ATOM 198 CA GLU A 13 -11.913 9.693 7.021 1.00 0.00 C ATOM 199 C GLU A 13 -11.474 10.871 6.156 1.00 0.00 C ATOM 200 O GLU A 13 -11.441 10.773 4.930 1.00 0.00 O ATOM 201 CB GLU A 13 -13.328 9.933 7.549 1.00 0.00 C ATOM 202 CG GLU A 13 -14.373 10.123 6.465 1.00 0.00 C ATOM 203 CD GLU A 13 -15.697 10.576 7.033 1.00 0.00 C ATOM 204 OE1 GLU A 13 -16.417 9.740 7.611 1.00 0.00 O ATOM 205 OE2 GLU A 13 -16.012 11.781 6.925 1.00 0.00 O ATOM 0 H GLU A 13 -11.441 9.591 9.052 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.904 8.790 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.619 9.089 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.320 10.815 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.017 10.858 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.511 9.186 5.925 1.00 0.00 H new ATOM 212 N GLN A 14 -11.132 11.978 6.813 1.00 0.00 N ATOM 213 CA GLN A 14 -10.668 13.179 6.127 1.00 0.00 C ATOM 214 C GLN A 14 -9.449 12.869 5.263 1.00 0.00 C ATOM 215 O GLN A 14 -9.431 13.173 4.071 1.00 0.00 O ATOM 216 CB GLN A 14 -10.319 14.272 7.143 1.00 0.00 C ATOM 217 CG GLN A 14 -9.727 15.526 6.516 1.00 0.00 C ATOM 218 CD GLN A 14 -9.238 16.527 7.548 1.00 0.00 C ATOM 219 OE1 GLN A 14 -9.921 16.603 8.680 1.00 0.00 O flip ATOM 220 NE2 GLN A 14 -8.265 17.245 7.316 1.00 0.00 N flip ATOM 0 H GLN A 14 -11.169 12.066 7.829 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.472 13.535 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.219 14.543 7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.610 13.870 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.897 15.245 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.478 16.000 5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.765 17.156 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.959 17.929 8.008 1.00 0.00 H new ATOM 229 N LEU A 15 -8.443 12.250 5.872 1.00 0.00 N ATOM 230 CA LEU A 15 -7.213 11.906 5.171 1.00 0.00 C ATOM 231 C LEU A 15 -7.497 10.961 4.009 1.00 0.00 C ATOM 232 O LEU A 15 -7.025 11.178 2.893 1.00 0.00 O ATOM 233 CB LEU A 15 -6.210 11.263 6.132 1.00 0.00 C ATOM 234 CG LEU A 15 -5.762 12.147 7.298 1.00 0.00 C ATOM 235 CD1 LEU A 15 -4.839 11.374 8.227 1.00 0.00 C ATOM 236 CD2 LEU A 15 -5.067 13.399 6.780 1.00 0.00 C ATOM 0 H LEU A 15 -8.457 11.976 6.854 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.784 12.826 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.652 10.353 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.329 10.964 5.565 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.645 12.449 7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.530 12.017 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.365 10.505 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.959 11.044 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.755 14.017 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.192 13.114 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.756 13.964 6.152 1.00 0.00 H new ATOM 248 N LEU A 16 -8.284 9.926 4.278 1.00 0.00 N ATOM 249 CA LEU A 16 -8.627 8.927 3.275 1.00 0.00 C ATOM 250 C LEU A 16 -9.336 9.572 2.087 1.00 0.00 C ATOM 251 O LEU A 16 -8.954 9.364 0.934 1.00 0.00 O ATOM 252 CB LEU A 16 -9.521 7.850 3.894 1.00 0.00 C ATOM 253 CG LEU A 16 -9.936 6.719 2.951 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.721 5.931 2.489 1.00 0.00 C ATOM 255 CD2 LEU A 16 -10.942 5.803 3.629 1.00 0.00 C ATOM 0 H LEU A 16 -8.700 9.757 5.194 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.705 8.468 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.000 7.416 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.422 8.327 4.280 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.409 7.161 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.039 5.132 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.036 6.595 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.216 5.501 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.226 5.004 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.495 5.371 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.827 6.376 3.905 1.00 0.00 H new ATOM 267 N ALA A 17 -10.358 10.367 2.381 1.00 0.00 N ATOM 268 CA ALA A 17 -11.130 11.037 1.344 1.00 0.00 C ATOM 269 C ALA A 17 -10.256 11.998 0.554 1.00 0.00 C ATOM 270 O ALA A 17 -10.328 12.046 -0.675 1.00 0.00 O ATOM 271 CB ALA A 17 -12.312 11.775 1.956 1.00 0.00 C ATOM 0 H ALA A 17 -10.671 10.563 3.332 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.509 10.279 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.879 12.271 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.956 11.064 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.949 12.519 2.665 1.00 0.00 H new ATOM 277 N GLU A 18 -9.425 12.749 1.265 1.00 0.00 N ATOM 278 CA GLU A 18 -8.546 13.724 0.641 1.00 0.00 C ATOM 279 C GLU A 18 -7.571 13.046 -0.317 1.00 0.00 C ATOM 280 O GLU A 18 -7.432 13.465 -1.462 1.00 0.00 O ATOM 281 CB GLU A 18 -7.790 14.511 1.718 1.00 0.00 C ATOM 282 CG GLU A 18 -6.898 15.614 1.173 1.00 0.00 C ATOM 283 CD GLU A 18 -7.640 16.568 0.260 1.00 0.00 C ATOM 284 OE1 GLU A 18 -8.588 17.239 0.724 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.279 16.652 -0.930 1.00 0.00 O ATOM 0 H GLU A 18 -9.343 12.699 2.280 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.154 14.418 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.513 14.950 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.179 13.818 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.469 16.173 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.067 15.167 0.627 1.00 0.00 H new ATOM 292 N LEU A 19 -6.922 11.981 0.146 1.00 0.00 N ATOM 293 CA LEU A 19 -5.947 11.263 -0.674 1.00 0.00 C ATOM 294 C LEU A 19 -6.598 10.685 -1.930 1.00 0.00 C ATOM 295 O LEU A 19 -6.028 10.748 -3.021 1.00 0.00 O ATOM 296 CB LEU A 19 -5.279 10.148 0.136 1.00 0.00 C ATOM 297 CG LEU A 19 -4.452 10.616 1.337 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.873 9.422 2.080 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.342 11.554 0.889 1.00 0.00 C ATOM 0 H LEU A 19 -7.052 11.596 1.082 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.185 11.977 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.052 9.467 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.632 9.576 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.108 11.161 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.288 9.772 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.684 8.786 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.231 8.852 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.765 11.876 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.687 11.034 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.777 12.425 0.399 1.00 0.00 H new ATOM 311 N LEU A 20 -7.796 10.133 -1.779 1.00 0.00 N ATOM 312 CA LEU A 20 -8.540 9.599 -2.916 1.00 0.00 C ATOM 313 C LEU A 20 -8.969 10.724 -3.854 1.00 0.00 C ATOM 314 O LEU A 20 -8.963 10.569 -5.079 1.00 0.00 O ATOM 315 CB LEU A 20 -9.767 8.809 -2.443 1.00 0.00 C ATOM 316 CG LEU A 20 -9.545 7.308 -2.215 1.00 0.00 C ATOM 317 CD1 LEU A 20 -8.460 7.059 -1.179 1.00 0.00 C ATOM 318 CD2 LEU A 20 -10.846 6.640 -1.795 1.00 0.00 C ATOM 0 H LEU A 20 -8.273 10.043 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.882 8.922 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.124 9.250 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.561 8.932 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.212 6.871 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.328 5.986 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.523 7.499 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.750 7.513 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.674 5.575 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.204 7.091 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.593 6.774 -2.577 1.00 0.00 H new ATOM 330 N ASN A 21 -9.324 11.862 -3.276 1.00 0.00 N ATOM 331 CA ASN A 21 -9.742 13.012 -4.064 1.00 0.00 C ATOM 332 C ASN A 21 -8.544 13.613 -4.792 1.00 0.00 C ATOM 333 O ASN A 21 -8.679 14.134 -5.896 1.00 0.00 O ATOM 334 CB ASN A 21 -10.420 14.059 -3.179 1.00 0.00 C ATOM 335 CG ASN A 21 -11.169 15.104 -3.986 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.636 16.165 -4.302 1.00 0.00 O ATOM 337 ND2 ASN A 21 -12.411 14.803 -4.332 1.00 0.00 N ATOM 0 H ASN A 21 -9.331 12.014 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.468 12.679 -4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.114 13.563 -2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.668 14.551 -2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.962 15.463 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.817 13.911 -4.050 1.00 0.00 H new ATOM 344 N VAL A 22 -7.369 13.523 -4.169 1.00 0.00 N ATOM 345 CA VAL A 22 -6.117 13.924 -4.807 1.00 0.00 C ATOM 346 C VAL A 22 -5.901 13.141 -6.097 1.00 0.00 C ATOM 347 O VAL A 22 -5.527 13.708 -7.128 1.00 0.00 O ATOM 348 CB VAL A 22 -4.906 13.703 -3.869 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.596 13.815 -4.630 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.931 14.696 -2.720 1.00 0.00 C ATOM 0 H VAL A 22 -7.259 13.173 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.194 14.988 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.979 12.694 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.763 13.655 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.568 13.063 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.516 14.808 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.072 14.524 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.890 15.711 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.849 14.566 -2.147 1.00 0.00 H new ATOM 360 N LEU A 23 -6.151 11.837 -6.028 1.00 0.00 N ATOM 361 CA LEU A 23 -6.028 10.964 -7.186 1.00 0.00 C ATOM 362 C LEU A 23 -6.927 11.471 -8.311 1.00 0.00 C ATOM 363 O LEU A 23 -6.507 11.550 -9.465 1.00 0.00 O ATOM 364 CB LEU A 23 -6.398 9.523 -6.792 1.00 0.00 C ATOM 365 CG LEU A 23 -5.966 8.414 -7.766 1.00 0.00 C ATOM 366 CD1 LEU A 23 -5.987 7.066 -7.063 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.868 8.364 -8.992 1.00 0.00 C ATOM 0 H LEU A 23 -6.442 11.361 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.997 10.969 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.958 9.312 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.480 9.469 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.953 8.641 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.680 6.287 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.301 7.086 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.996 6.857 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.533 7.569 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.894 8.169 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.823 9.319 -9.516 1.00 0.00 H new ATOM 379 N GLU A 24 -8.154 11.837 -7.959 1.00 0.00 N ATOM 380 CA GLU A 24 -9.106 12.353 -8.938 1.00 0.00 C ATOM 381 C GLU A 24 -8.680 13.735 -9.443 1.00 0.00 C ATOM 382 O GLU A 24 -8.695 13.987 -10.641 1.00 0.00 O ATOM 383 CB GLU A 24 -10.513 12.422 -8.340 1.00 0.00 C ATOM 384 CG GLU A 24 -11.585 12.790 -9.357 1.00 0.00 C ATOM 385 CD GLU A 24 -12.961 12.915 -8.740 1.00 0.00 C ATOM 386 OE1 GLU A 24 -13.661 11.887 -8.616 1.00 0.00 O ATOM 387 OE2 GLU A 24 -13.357 14.045 -8.383 1.00 0.00 O ATOM 0 H GLU A 24 -8.513 11.787 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.119 11.666 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.759 11.457 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.521 13.155 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.319 13.733 -9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.611 12.033 -10.141 1.00 0.00 H new ATOM 394 N LYS A 25 -8.286 14.618 -8.525 1.00 0.00 N ATOM 395 CA LYS A 25 -7.894 15.985 -8.880 1.00 0.00 C ATOM 396 C LYS A 25 -6.722 16.009 -9.858 1.00 0.00 C ATOM 397 O LYS A 25 -6.665 16.858 -10.748 1.00 0.00 O ATOM 398 CB LYS A 25 -7.538 16.793 -7.626 1.00 0.00 C ATOM 399 CG LYS A 25 -8.752 17.265 -6.843 1.00 0.00 C ATOM 400 CD LYS A 25 -8.361 18.034 -5.589 1.00 0.00 C ATOM 401 CE LYS A 25 -7.721 17.125 -4.553 1.00 0.00 C ATOM 402 NZ LYS A 25 -7.475 17.832 -3.272 1.00 0.00 N ATOM 0 H LYS A 25 -8.229 14.412 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.753 16.442 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.911 16.182 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.945 17.660 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.369 17.900 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.361 16.404 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.667 18.832 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.245 18.508 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.368 16.266 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.778 16.739 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.085 17.164 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.798 18.606 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.370 18.222 -2.913 1.00 0.00 H new ATOM 416 N HIS A 26 -5.786 15.085 -9.696 1.00 0.00 N ATOM 417 CA HIS A 26 -4.625 15.030 -10.578 1.00 0.00 C ATOM 418 C HIS A 26 -4.830 14.014 -11.698 1.00 0.00 C ATOM 419 O HIS A 26 -4.035 13.958 -12.637 1.00 0.00 O ATOM 420 CB HIS A 26 -3.355 14.692 -9.788 1.00 0.00 C ATOM 421 CG HIS A 26 -2.826 15.832 -8.966 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.054 16.844 -9.497 1.00 0.00 N ATOM 423 CD2 HIS A 26 -2.949 16.113 -7.645 1.00 0.00 C ATOM 424 CE1 HIS A 26 -1.720 17.693 -8.540 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.251 17.274 -7.408 1.00 0.00 N ATOM 0 H HIS A 26 -5.805 14.369 -8.970 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.507 16.016 -11.026 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.563 13.848 -9.130 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.581 14.370 -10.485 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.494 15.533 -6.915 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.115 18.579 -8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.159 17.736 -6.503 1.00 0.00 H new ATOM 434 N LYS A 27 -5.913 13.241 -11.597 1.00 0.00 N ATOM 435 CA LYS A 27 -6.226 12.168 -12.542 1.00 0.00 C ATOM 436 C LYS A 27 -5.000 11.330 -12.888 1.00 0.00 C ATOM 437 O LYS A 27 -4.436 11.440 -13.979 1.00 0.00 O ATOM 438 CB LYS A 27 -6.882 12.720 -13.807 1.00 0.00 C ATOM 439 CG LYS A 27 -8.243 13.338 -13.542 1.00 0.00 C ATOM 440 CD LYS A 27 -9.309 12.753 -14.449 1.00 0.00 C ATOM 441 CE LYS A 27 -9.102 13.174 -15.888 1.00 0.00 C ATOM 442 NZ LYS A 27 -10.077 12.524 -16.800 1.00 0.00 N ATOM 0 H LYS A 27 -6.602 13.343 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.939 11.508 -12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.228 13.470 -14.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.989 11.917 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.521 13.174 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.189 14.416 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.290 11.665 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.294 13.077 -14.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.197 14.257 -15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.089 12.920 -16.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.902 12.838 -17.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.969 11.491 -16.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.043 12.787 -16.520 1.00 0.00 H new ATOM 456 N ALA A 28 -4.580 10.513 -11.939 1.00 0.00 N ATOM 457 CA ALA A 28 -3.441 9.635 -12.138 1.00 0.00 C ATOM 458 C ALA A 28 -3.915 8.242 -12.526 1.00 0.00 C ATOM 459 O ALA A 28 -4.869 7.725 -11.942 1.00 0.00 O ATOM 460 CB ALA A 28 -2.589 9.577 -10.880 1.00 0.00 C ATOM 0 H ALA A 28 -5.013 10.439 -11.018 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.830 10.033 -12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.739 8.915 -11.046 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.228 10.577 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.188 9.198 -10.052 1.00 0.00 H new ATOM 466 N PRO A 29 -3.277 7.633 -13.539 1.00 0.00 N ATOM 467 CA PRO A 29 -3.611 6.276 -13.988 1.00 0.00 C ATOM 468 C PRO A 29 -3.605 5.271 -12.839 1.00 0.00 C ATOM 469 O PRO A 29 -2.816 5.398 -11.899 1.00 0.00 O ATOM 470 CB PRO A 29 -2.505 5.952 -14.993 1.00 0.00 C ATOM 471 CG PRO A 29 -2.047 7.277 -15.492 1.00 0.00 C ATOM 472 CD PRO A 29 -2.186 8.223 -14.333 1.00 0.00 C ATOM 0 HA PRO A 29 -4.614 6.219 -14.410 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.690 5.403 -14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.879 5.330 -15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.014 7.229 -15.836 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.650 7.605 -16.339 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.263 8.292 -13.758 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.431 9.232 -14.665 1.00 0.00 H new ATOM 480 N THR A 30 -4.485 4.282 -12.919 1.00 0.00 N ATOM 481 CA THR A 30 -4.648 3.296 -11.855 1.00 0.00 C ATOM 482 C THR A 30 -3.326 2.587 -11.544 1.00 0.00 C ATOM 483 O THR A 30 -2.969 2.391 -10.379 1.00 0.00 O ATOM 484 CB THR A 30 -5.709 2.254 -12.253 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.783 2.907 -12.949 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.257 1.539 -11.026 1.00 0.00 C ATOM 0 H THR A 30 -5.103 4.139 -13.718 1.00 0.00 H new ATOM 0 HA THR A 30 -4.974 3.826 -10.960 1.00 0.00 H new ATOM 0 HB THR A 30 -5.241 1.514 -12.902 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.458 2.244 -13.204 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.005 0.808 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.444 1.030 -10.508 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.715 2.266 -10.356 1.00 0.00 H new ATOM 494 N ASP A 31 -2.593 2.240 -12.593 1.00 0.00 N ATOM 495 CA ASP A 31 -1.319 1.545 -12.450 1.00 0.00 C ATOM 496 C ASP A 31 -0.262 2.472 -11.857 1.00 0.00 C ATOM 497 O ASP A 31 0.543 2.057 -11.023 1.00 0.00 O ATOM 498 CB ASP A 31 -0.856 0.999 -13.808 1.00 0.00 C ATOM 499 CG ASP A 31 -0.718 2.079 -14.868 1.00 0.00 C ATOM 500 OD1 ASP A 31 -1.695 2.825 -15.091 1.00 0.00 O ATOM 501 OD2 ASP A 31 0.359 2.174 -15.488 1.00 0.00 O ATOM 0 H ASP A 31 -2.860 2.430 -13.559 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.458 0.707 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.103 0.496 -13.683 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.567 0.248 -14.153 1.00 0.00 H new ATOM 506 N LEU A 32 -0.284 3.732 -12.276 1.00 0.00 N ATOM 507 CA LEU A 32 0.637 4.730 -11.742 1.00 0.00 C ATOM 508 C LEU A 32 0.336 5.002 -10.273 1.00 0.00 C ATOM 509 O LEU A 32 1.245 5.199 -9.472 1.00 0.00 O ATOM 510 CB LEU A 32 0.556 6.032 -12.546 1.00 0.00 C ATOM 511 CG LEU A 32 1.440 7.173 -12.031 1.00 0.00 C ATOM 512 CD1 LEU A 32 2.900 6.748 -11.990 1.00 0.00 C ATOM 513 CD2 LEU A 32 1.272 8.413 -12.896 1.00 0.00 C ATOM 0 H LEU A 32 -0.928 4.087 -12.983 1.00 0.00 H new ATOM 0 HA LEU A 32 1.649 4.335 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.830 5.820 -13.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.480 6.371 -12.554 1.00 0.00 H new ATOM 0 HG LEU A 32 1.125 7.414 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.509 7.573 -11.621 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.011 5.891 -11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.228 6.475 -12.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.908 9.212 -12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.557 8.182 -13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.231 8.735 -12.872 1.00 0.00 H new ATOM 525 N SER A 33 -0.945 4.997 -9.928 1.00 0.00 N ATOM 526 CA SER A 33 -1.369 5.221 -8.555 1.00 0.00 C ATOM 527 C SER A 33 -0.738 4.194 -7.618 1.00 0.00 C ATOM 528 O SER A 33 -0.185 4.551 -6.577 1.00 0.00 O ATOM 529 CB SER A 33 -2.895 5.162 -8.460 1.00 0.00 C ATOM 530 OG SER A 33 -3.490 6.122 -9.319 1.00 0.00 O ATOM 0 H SER A 33 -1.710 4.839 -10.584 1.00 0.00 H new ATOM 0 HA SER A 33 -1.034 6.212 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.242 4.164 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.207 5.344 -7.432 1.00 0.00 H new ATOM 0 HG SER A 33 -3.329 5.870 -10.252 1.00 0.00 H new ATOM 536 N LEU A 34 -0.798 2.924 -8.005 1.00 0.00 N ATOM 537 CA LEU A 34 -0.197 1.857 -7.213 1.00 0.00 C ATOM 538 C LEU A 34 1.318 2.025 -7.141 1.00 0.00 C ATOM 539 O LEU A 34 1.925 1.833 -6.088 1.00 0.00 O ATOM 540 CB LEU A 34 -0.542 0.490 -7.804 1.00 0.00 C ATOM 541 CG LEU A 34 -2.030 0.126 -7.781 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.260 -1.221 -8.447 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.552 0.102 -6.352 1.00 0.00 C ATOM 0 H LEU A 34 -1.256 2.609 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.603 1.917 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.193 0.460 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.011 -0.274 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.576 0.887 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.322 -1.463 -8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.923 -1.177 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.700 -1.990 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.610 -0.158 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.998 -0.638 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.422 1.086 -5.901 1.00 0.00 H new ATOM 555 N MET A 35 1.914 2.401 -8.269 1.00 0.00 N ATOM 556 CA MET A 35 3.354 2.612 -8.354 1.00 0.00 C ATOM 557 C MET A 35 3.794 3.732 -7.410 1.00 0.00 C ATOM 558 O MET A 35 4.764 3.589 -6.665 1.00 0.00 O ATOM 559 CB MET A 35 3.748 2.953 -9.796 1.00 0.00 C ATOM 560 CG MET A 35 5.243 3.137 -10.000 1.00 0.00 C ATOM 561 SD MET A 35 5.657 3.611 -11.692 1.00 0.00 S ATOM 562 CE MET A 35 7.445 3.666 -11.598 1.00 0.00 C ATOM 0 H MET A 35 1.416 2.567 -9.143 1.00 0.00 H new ATOM 0 HA MET A 35 3.857 1.693 -8.053 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.396 2.159 -10.455 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.235 3.867 -10.096 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.609 3.900 -9.313 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.757 2.209 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.852 3.946 -12.570 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.748 4.401 -10.852 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.825 2.684 -11.315 1.00 0.00 H new ATOM 572 N VAL A 36 3.061 4.839 -7.438 1.00 0.00 N ATOM 573 CA VAL A 36 3.362 5.988 -6.592 1.00 0.00 C ATOM 574 C VAL A 36 3.148 5.660 -5.116 1.00 0.00 C ATOM 575 O VAL A 36 4.005 5.953 -4.279 1.00 0.00 O ATOM 576 CB VAL A 36 2.506 7.210 -6.998 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.619 8.331 -5.978 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.923 7.708 -8.373 1.00 0.00 C ATOM 0 H VAL A 36 2.249 4.965 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 36 4.413 6.236 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 36 1.464 6.893 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.005 9.174 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.274 7.975 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.659 8.649 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.314 8.569 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.973 7.999 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.782 6.914 -9.106 1.00 0.00 H new ATOM 588 N LEU A 37 2.014 5.039 -4.803 1.00 0.00 N ATOM 589 CA LEU A 37 1.717 4.644 -3.431 1.00 0.00 C ATOM 590 C LEU A 37 2.796 3.712 -2.896 1.00 0.00 C ATOM 591 O LEU A 37 3.329 3.927 -1.807 1.00 0.00 O ATOM 592 CB LEU A 37 0.349 3.960 -3.339 1.00 0.00 C ATOM 593 CG LEU A 37 -0.857 4.866 -3.592 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.147 4.064 -3.541 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.895 5.996 -2.574 1.00 0.00 C ATOM 0 H LEU A 37 1.289 4.800 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 37 1.695 5.548 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.323 3.140 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.249 3.519 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.759 5.299 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.994 4.725 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.123 3.287 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.251 3.604 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.759 6.632 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.970 5.579 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.016 6.588 -2.654 1.00 0.00 H new ATOM 607 N GLY A 38 3.127 2.695 -3.683 1.00 0.00 N ATOM 608 CA GLY A 38 4.139 1.740 -3.284 1.00 0.00 C ATOM 609 C GLY A 38 5.487 2.390 -3.047 1.00 0.00 C ATOM 610 O GLY A 38 6.120 2.153 -2.020 1.00 0.00 O ATOM 0 H GLY A 38 2.708 2.516 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.818 1.234 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.238 0.976 -4.055 1.00 0.00 H new ATOM 614 N ASN A 39 5.914 3.223 -3.991 1.00 0.00 N ATOM 615 CA ASN A 39 7.204 3.903 -3.897 1.00 0.00 C ATOM 616 C ASN A 39 7.279 4.765 -2.639 1.00 0.00 C ATOM 617 O ASN A 39 8.270 4.728 -1.906 1.00 0.00 O ATOM 618 CB ASN A 39 7.438 4.782 -5.130 1.00 0.00 C ATOM 619 CG ASN A 39 8.799 5.461 -5.109 1.00 0.00 C ATOM 620 OD1 ASN A 39 9.782 4.894 -4.637 1.00 0.00 O ATOM 621 ND2 ASN A 39 8.857 6.688 -5.604 1.00 0.00 N ATOM 0 H ASN A 39 5.384 3.445 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 39 7.978 3.138 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.353 4.172 -6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.657 5.541 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.741 7.197 -5.602 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.018 7.124 -5.987 1.00 0.00 H new ATOM 628 N MET A 40 6.222 5.530 -2.388 1.00 0.00 N ATOM 629 CA MET A 40 6.195 6.439 -1.249 1.00 0.00 C ATOM 630 C MET A 40 6.256 5.653 0.059 1.00 0.00 C ATOM 631 O MET A 40 7.109 5.916 0.905 1.00 0.00 O ATOM 632 CB MET A 40 4.939 7.317 -1.298 1.00 0.00 C ATOM 633 CG MET A 40 5.075 8.643 -0.554 1.00 0.00 C ATOM 634 SD MET A 40 5.134 8.467 1.241 1.00 0.00 S ATOM 635 CE MET A 40 3.471 7.902 1.581 1.00 0.00 C ATOM 0 H MET A 40 5.375 5.539 -2.956 1.00 0.00 H new ATOM 0 HA MET A 40 7.069 7.089 -1.298 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.692 7.521 -2.340 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.103 6.760 -0.875 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.981 9.147 -0.890 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.236 9.286 -0.820 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.245 8.051 2.637 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.763 8.468 0.975 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.390 6.842 1.338 1.00 0.00 H new ATOM 645 N VAL A 41 5.376 4.664 0.202 1.00 0.00 N ATOM 646 CA VAL A 41 5.332 3.845 1.411 1.00 0.00 C ATOM 647 C VAL A 41 6.663 3.125 1.631 1.00 0.00 C ATOM 648 O VAL A 41 7.160 3.054 2.757 1.00 0.00 O ATOM 649 CB VAL A 41 4.184 2.809 1.354 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.190 1.920 2.589 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.842 3.506 1.216 1.00 0.00 C ATOM 0 H VAL A 41 4.685 4.411 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 41 5.148 4.518 2.248 1.00 0.00 H new ATOM 0 HB VAL A 41 4.343 2.180 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.373 1.201 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.139 1.387 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.062 2.534 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.047 2.761 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.683 4.162 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.831 4.096 0.299 1.00 0.00 H new ATOM 661 N THR A 42 7.243 2.617 0.551 1.00 0.00 N ATOM 662 CA THR A 42 8.529 1.936 0.622 1.00 0.00 C ATOM 663 C THR A 42 9.606 2.855 1.198 1.00 0.00 C ATOM 664 O THR A 42 10.295 2.491 2.150 1.00 0.00 O ATOM 665 CB THR A 42 8.973 1.429 -0.763 1.00 0.00 C ATOM 666 OG1 THR A 42 8.014 0.497 -1.269 1.00 0.00 O ATOM 667 CG2 THR A 42 10.337 0.763 -0.689 1.00 0.00 C ATOM 0 H THR A 42 6.842 2.664 -0.386 1.00 0.00 H new ATOM 0 HA THR A 42 8.401 1.079 1.284 1.00 0.00 H new ATOM 0 HB THR A 42 9.042 2.286 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.421 0.950 -1.905 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.626 0.414 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.073 1.481 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.291 -0.085 -0.005 1.00 0.00 H new ATOM 675 N ASN A 43 9.733 4.051 0.629 1.00 0.00 N ATOM 676 CA ASN A 43 10.727 5.014 1.095 1.00 0.00 C ATOM 677 C ASN A 43 10.419 5.463 2.517 1.00 0.00 C ATOM 678 O ASN A 43 11.330 5.695 3.309 1.00 0.00 O ATOM 679 CB ASN A 43 10.804 6.233 0.169 1.00 0.00 C ATOM 680 CG ASN A 43 11.627 5.972 -1.083 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.844 6.176 -1.093 1.00 0.00 O ATOM 682 ND2 ASN A 43 10.973 5.532 -2.145 1.00 0.00 N ATOM 0 H ASN A 43 9.163 4.376 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 43 11.695 4.513 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.795 6.528 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.237 7.071 0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.475 5.349 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.966 5.376 -2.095 1.00 0.00 H new ATOM 689 N LEU A 44 9.134 5.574 2.837 1.00 0.00 N ATOM 690 CA LEU A 44 8.708 5.950 4.178 1.00 0.00 C ATOM 691 C LEU A 44 9.219 4.926 5.188 1.00 0.00 C ATOM 692 O LEU A 44 9.913 5.278 6.141 1.00 0.00 O ATOM 693 CB LEU A 44 7.172 6.059 4.233 1.00 0.00 C ATOM 694 CG LEU A 44 6.577 6.797 5.445 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.651 5.953 6.711 1.00 0.00 C ATOM 696 CD2 LEU A 44 7.281 8.128 5.655 1.00 0.00 C ATOM 0 H LEU A 44 8.369 5.408 2.183 1.00 0.00 H new ATOM 0 HA LEU A 44 9.127 6.924 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.834 6.563 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.758 5.051 4.211 1.00 0.00 H new ATOM 0 HG LEU A 44 5.524 6.982 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.221 6.509 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.093 5.028 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.692 5.717 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.848 8.637 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.342 7.954 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.158 8.749 4.767 1.00 0.00 H new ATOM 708 N ILE A 45 8.894 3.658 4.960 1.00 0.00 N ATOM 709 CA ILE A 45 9.319 2.582 5.849 1.00 0.00 C ATOM 710 C ILE A 45 10.843 2.469 5.879 1.00 0.00 C ATOM 711 O ILE A 45 11.440 2.295 6.940 1.00 0.00 O ATOM 712 CB ILE A 45 8.714 1.225 5.417 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.184 1.283 5.478 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.240 0.093 6.294 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.505 0.037 4.949 1.00 0.00 C ATOM 0 H ILE A 45 8.336 3.349 4.164 1.00 0.00 H new ATOM 0 HA ILE A 45 8.957 2.827 6.848 1.00 0.00 H new ATOM 0 HB ILE A 45 9.016 1.026 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.876 1.442 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.839 2.144 4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.801 -0.851 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.325 0.038 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.971 0.282 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.424 0.152 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.782 -0.113 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.820 -0.826 5.536 1.00 0.00 H new ATOM 727 N ASN A 46 11.457 2.600 4.711 1.00 0.00 N ATOM 728 CA ASN A 46 12.904 2.446 4.561 1.00 0.00 C ATOM 729 C ASN A 46 13.683 3.506 5.345 1.00 0.00 C ATOM 730 O ASN A 46 14.771 3.235 5.848 1.00 0.00 O ATOM 731 CB ASN A 46 13.281 2.515 3.076 1.00 0.00 C ATOM 732 CG ASN A 46 14.750 2.232 2.818 1.00 0.00 C ATOM 733 OD1 ASN A 46 15.587 3.133 2.857 1.00 0.00 O ATOM 734 ND2 ASN A 46 15.069 0.980 2.522 1.00 0.00 N ATOM 0 H ASN A 46 10.971 2.815 3.841 1.00 0.00 H new ATOM 0 HA ASN A 46 13.175 1.473 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.677 1.798 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.035 3.505 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.038 0.736 2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.346 0.261 2.500 1.00 0.00 H new ATOM 741 N THR A 47 13.130 4.710 5.448 1.00 0.00 N ATOM 742 CA THR A 47 13.843 5.809 6.089 1.00 0.00 C ATOM 743 C THR A 47 13.368 6.056 7.522 1.00 0.00 C ATOM 744 O THR A 47 14.118 6.577 8.348 1.00 0.00 O ATOM 745 CB THR A 47 13.701 7.113 5.280 1.00 0.00 C ATOM 746 OG1 THR A 47 12.314 7.417 5.075 1.00 0.00 O ATOM 747 CG2 THR A 47 14.404 6.999 3.934 1.00 0.00 C ATOM 0 H THR A 47 12.201 4.948 5.100 1.00 0.00 H new ATOM 0 HA THR A 47 14.891 5.510 6.122 1.00 0.00 H new ATOM 0 HB THR A 47 14.169 7.917 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.996 6.963 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.289 7.932 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.464 6.800 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.963 6.183 3.361 1.00 0.00 H new ATOM 755 N SER A 48 12.129 5.696 7.818 1.00 0.00 N ATOM 756 CA SER A 48 11.569 5.952 9.137 1.00 0.00 C ATOM 757 C SER A 48 11.785 4.766 10.067 1.00 0.00 C ATOM 758 O SER A 48 12.237 4.930 11.202 1.00 0.00 O ATOM 759 CB SER A 48 10.084 6.280 9.025 1.00 0.00 C ATOM 760 OG SER A 48 9.872 7.317 8.079 1.00 0.00 O ATOM 0 H SER A 48 11.496 5.229 7.169 1.00 0.00 H new ATOM 0 HA SER A 48 12.088 6.810 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.531 5.389 8.727 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.699 6.584 9.998 1.00 0.00 H new ATOM 0 HG SER A 48 9.828 6.934 7.178 1.00 0.00 H new ATOM 766 N ILE A 49 11.487 3.572 9.579 1.00 0.00 N ATOM 767 CA ILE A 49 11.612 2.373 10.388 1.00 0.00 C ATOM 768 C ILE A 49 13.057 1.888 10.371 1.00 0.00 C ATOM 769 O ILE A 49 13.760 2.062 9.376 1.00 0.00 O ATOM 770 CB ILE A 49 10.675 1.249 9.882 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.225 1.749 9.799 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.763 0.022 10.783 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.653 2.211 11.124 1.00 0.00 C ATOM 0 H ILE A 49 11.157 3.409 8.628 1.00 0.00 H new ATOM 0 HA ILE A 49 11.319 2.622 11.408 1.00 0.00 H new ATOM 0 HB ILE A 49 11.001 0.963 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.176 2.573 9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.598 0.949 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.096 -0.754 10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.787 -0.352 10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.469 0.293 11.797 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.627 2.548 10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.667 1.384 11.834 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.254 3.033 11.513 1.00 0.00 H new ATOM 785 N ALA A 50 13.496 1.307 11.483 1.00 0.00 N ATOM 786 CA ALA A 50 14.845 0.767 11.596 1.00 0.00 C ATOM 787 C ALA A 50 15.162 -0.164 10.429 1.00 0.00 C ATOM 788 O ALA A 50 14.450 -1.144 10.195 1.00 0.00 O ATOM 789 CB ALA A 50 15.005 0.035 12.920 1.00 0.00 C ATOM 0 H ALA A 50 12.931 1.198 12.325 1.00 0.00 H new ATOM 0 HA ALA A 50 15.551 1.597 11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.016 -0.365 12.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.827 0.728 13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.287 -0.783 12.973 1.00 0.00 H new ATOM 795 N PRO A 51 16.236 0.138 9.682 1.00 0.00 N ATOM 796 CA PRO A 51 16.621 -0.610 8.475 1.00 0.00 C ATOM 797 C PRO A 51 16.890 -2.089 8.739 1.00 0.00 C ATOM 798 O PRO A 51 16.902 -2.902 7.814 1.00 0.00 O ATOM 799 CB PRO A 51 17.897 0.092 8.002 1.00 0.00 C ATOM 800 CG PRO A 51 17.837 1.445 8.619 1.00 0.00 C ATOM 801 CD PRO A 51 17.153 1.258 9.941 1.00 0.00 C ATOM 0 HA PRO A 51 15.817 -0.608 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.788 -0.449 8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.934 0.154 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 51 18.836 1.860 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.284 2.140 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.863 1.023 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.617 2.156 10.249 1.00 0.00 H new ATOM 809 N ALA A 52 17.090 -2.441 10.000 1.00 0.00 N ATOM 810 CA ALA A 52 17.311 -3.829 10.375 1.00 0.00 C ATOM 811 C ALA A 52 16.022 -4.640 10.251 1.00 0.00 C ATOM 812 O ALA A 52 16.059 -5.857 10.087 1.00 0.00 O ATOM 813 CB ALA A 52 17.860 -3.911 11.790 1.00 0.00 C ATOM 0 H ALA A 52 17.104 -1.785 10.781 1.00 0.00 H new ATOM 0 HA ALA A 52 18.044 -4.256 9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.021 -4.955 12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.806 -3.372 11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.147 -3.464 12.483 1.00 0.00 H new ATOM 819 N GLN A 53 14.883 -3.959 10.314 1.00 0.00 N ATOM 820 CA GLN A 53 13.592 -4.632 10.249 1.00 0.00 C ATOM 821 C GLN A 53 12.663 -3.966 9.235 1.00 0.00 C ATOM 822 O GLN A 53 11.460 -4.226 9.225 1.00 0.00 O ATOM 823 CB GLN A 53 12.937 -4.661 11.633 1.00 0.00 C ATOM 824 CG GLN A 53 12.932 -3.317 12.347 1.00 0.00 C ATOM 825 CD GLN A 53 12.262 -3.380 13.707 1.00 0.00 C ATOM 826 OE1 GLN A 53 11.320 -4.145 13.915 1.00 0.00 O ATOM 827 NE2 GLN A 53 12.766 -2.603 14.651 1.00 0.00 N ATOM 0 H GLN A 53 14.828 -2.945 10.410 1.00 0.00 H new ATOM 0 HA GLN A 53 13.767 -5.656 9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.909 -5.009 11.529 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.459 -5.389 12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.958 -2.970 12.468 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.418 -2.582 11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.547 -1.983 14.438 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.374 -2.624 15.592 1.00 0.00 H new ATOM 836 N ARG A 54 13.227 -3.130 8.366 1.00 0.00 N ATOM 837 CA ARG A 54 12.443 -2.450 7.332 1.00 0.00 C ATOM 838 C ARG A 54 11.720 -3.455 6.435 1.00 0.00 C ATOM 839 O ARG A 54 10.566 -3.251 6.059 1.00 0.00 O ATOM 840 CB ARG A 54 13.338 -1.543 6.478 1.00 0.00 C ATOM 841 CG ARG A 54 14.583 -2.234 5.948 1.00 0.00 C ATOM 842 CD ARG A 54 15.301 -1.394 4.902 1.00 0.00 C ATOM 843 NE ARG A 54 16.662 -1.876 4.647 1.00 0.00 N ATOM 844 CZ ARG A 54 16.968 -3.058 4.103 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.011 -3.880 3.682 1.00 0.00 N ATOM 846 NH2 ARG A 54 18.241 -3.400 3.956 1.00 0.00 N ATOM 0 H ARG A 54 14.222 -2.906 8.355 1.00 0.00 H new ATOM 0 HA ARG A 54 11.697 -1.837 7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.758 -1.164 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.638 -0.680 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.262 -2.441 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.307 -3.195 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.732 -1.409 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.341 -0.357 5.235 1.00 0.00 H new ATOM 0 HE ARG A 54 17.435 -1.262 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.031 -3.611 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.257 -4.779 3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.978 -2.763 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.483 -4.300 3.542 1.00 0.00 H new ATOM 860 N GLN A 55 12.397 -4.550 6.114 1.00 0.00 N ATOM 861 CA GLN A 55 11.827 -5.554 5.231 1.00 0.00 C ATOM 862 C GLN A 55 10.775 -6.373 5.969 1.00 0.00 C ATOM 863 O GLN A 55 9.815 -6.846 5.370 1.00 0.00 O ATOM 864 CB GLN A 55 12.923 -6.461 4.668 1.00 0.00 C ATOM 865 CG GLN A 55 12.424 -7.456 3.630 1.00 0.00 C ATOM 866 CD GLN A 55 13.554 -8.219 2.970 1.00 0.00 C ATOM 867 OE1 GLN A 55 14.601 -8.445 3.576 1.00 0.00 O ATOM 868 NE2 GLN A 55 13.354 -8.611 1.721 1.00 0.00 N ATOM 0 H GLN A 55 13.336 -4.763 6.451 1.00 0.00 H new ATOM 0 HA GLN A 55 11.344 -5.047 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.700 -5.841 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.386 -7.008 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.742 -8.161 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.853 -6.926 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.470 -8.402 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.084 -9.122 1.224 1.00 0.00 H new ATOM 877 N ALA A 56 10.943 -6.504 7.280 1.00 0.00 N ATOM 878 CA ALA A 56 9.981 -7.224 8.099 1.00 0.00 C ATOM 879 C ALA A 56 8.636 -6.504 8.090 1.00 0.00 C ATOM 880 O ALA A 56 7.578 -7.136 8.114 1.00 0.00 O ATOM 881 CB ALA A 56 10.500 -7.378 9.520 1.00 0.00 C ATOM 0 H ALA A 56 11.735 -6.121 7.796 1.00 0.00 H new ATOM 0 HA ALA A 56 9.842 -8.220 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.767 -7.919 10.118 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.438 -7.933 9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.667 -6.393 9.955 1.00 0.00 H new ATOM 887 N ILE A 57 8.691 -5.176 8.040 1.00 0.00 N ATOM 888 CA ILE A 57 7.486 -4.362 7.956 1.00 0.00 C ATOM 889 C ILE A 57 6.836 -4.530 6.585 1.00 0.00 C ATOM 890 O ILE A 57 5.614 -4.616 6.471 1.00 0.00 O ATOM 891 CB ILE A 57 7.792 -2.869 8.207 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.486 -2.682 9.562 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.516 -2.042 8.144 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.689 -3.204 10.740 1.00 0.00 C ATOM 0 H ILE A 57 9.560 -4.642 8.056 1.00 0.00 H new ATOM 0 HA ILE A 57 6.800 -4.703 8.732 1.00 0.00 H new ATOM 0 HB ILE A 57 8.465 -2.522 7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.451 -3.188 9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.686 -1.621 9.713 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.753 -0.993 8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.062 -2.148 7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.818 -2.392 8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.247 -3.035 11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.734 -2.681 10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.512 -4.272 10.615 1.00 0.00 H new ATOM 906 N ALA A 58 7.665 -4.592 5.549 1.00 0.00 N ATOM 907 CA ALA A 58 7.175 -4.832 4.197 1.00 0.00 C ATOM 908 C ALA A 58 6.486 -6.192 4.112 1.00 0.00 C ATOM 909 O ALA A 58 5.426 -6.327 3.498 1.00 0.00 O ATOM 910 CB ALA A 58 8.317 -4.749 3.192 1.00 0.00 C ATOM 0 H ALA A 58 8.676 -4.480 5.619 1.00 0.00 H new ATOM 0 HA ALA A 58 6.445 -4.060 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.932 -4.931 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.767 -3.757 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.070 -5.500 3.434 1.00 0.00 H new ATOM 916 N ASN A 59 7.089 -7.195 4.746 1.00 0.00 N ATOM 917 CA ASN A 59 6.523 -8.543 4.777 1.00 0.00 C ATOM 918 C ASN A 59 5.192 -8.557 5.521 1.00 0.00 C ATOM 919 O ASN A 59 4.214 -9.140 5.051 1.00 0.00 O ATOM 920 CB ASN A 59 7.482 -9.534 5.448 1.00 0.00 C ATOM 921 CG ASN A 59 8.783 -9.719 4.691 1.00 0.00 C ATOM 922 OD1 ASN A 59 8.838 -9.566 3.472 1.00 0.00 O ATOM 923 ND2 ASN A 59 9.839 -10.062 5.412 1.00 0.00 N ATOM 0 H ASN A 59 7.972 -7.100 5.247 1.00 0.00 H new ATOM 0 HA ASN A 59 6.363 -8.848 3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.704 -9.187 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.986 -10.500 5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.740 -10.209 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.751 -10.179 6.421 1.00 0.00 H new ATOM 930 N SER A 60 5.153 -7.905 6.677 1.00 0.00 N ATOM 931 CA SER A 60 3.951 -7.891 7.499 1.00 0.00 C ATOM 932 C SER A 60 2.854 -7.043 6.860 1.00 0.00 C ATOM 933 O SER A 60 1.669 -7.276 7.094 1.00 0.00 O ATOM 934 CB SER A 60 4.271 -7.395 8.911 1.00 0.00 C ATOM 935 OG SER A 60 5.108 -6.255 8.874 1.00 0.00 O ATOM 0 H SER A 60 5.938 -7.381 7.065 1.00 0.00 H new ATOM 0 HA SER A 60 3.580 -8.913 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.345 -7.153 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.758 -8.189 9.477 1.00 0.00 H new ATOM 0 HG SER A 60 6.038 -6.536 8.748 1.00 0.00 H new ATOM 941 N PHE A 61 3.248 -6.068 6.047 1.00 0.00 N ATOM 942 CA PHE A 61 2.283 -5.278 5.294 1.00 0.00 C ATOM 943 C PHE A 61 1.586 -6.168 4.270 1.00 0.00 C ATOM 944 O PHE A 61 0.362 -6.139 4.139 1.00 0.00 O ATOM 945 CB PHE A 61 2.970 -4.098 4.599 1.00 0.00 C ATOM 946 CG PHE A 61 2.012 -3.133 3.951 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.471 -2.084 4.677 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.654 -3.273 2.618 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.594 -1.193 4.087 1.00 0.00 C ATOM 950 CE2 PHE A 61 0.777 -2.386 2.024 1.00 0.00 C ATOM 951 CZ PHE A 61 0.247 -1.344 2.760 1.00 0.00 C ATOM 0 H PHE A 61 4.222 -5.808 5.894 1.00 0.00 H new ATOM 0 HA PHE A 61 1.541 -4.875 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.575 -3.560 5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.653 -4.482 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.738 -1.961 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.066 -4.085 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.181 -0.379 4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.506 -2.507 0.986 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.438 -0.649 2.298 1.00 0.00 H new ATOM 961 N ALA A 62 2.373 -6.970 3.556 1.00 0.00 N ATOM 962 CA ALA A 62 1.830 -7.943 2.613 1.00 0.00 C ATOM 963 C ALA A 62 0.971 -8.962 3.352 1.00 0.00 C ATOM 964 O ALA A 62 -0.119 -9.322 2.901 1.00 0.00 O ATOM 965 CB ALA A 62 2.956 -8.640 1.861 1.00 0.00 C ATOM 0 H ALA A 62 3.391 -6.964 3.613 1.00 0.00 H new ATOM 0 HA ALA A 62 1.207 -7.420 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.534 -9.362 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.539 -7.901 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.602 -9.157 2.571 1.00 0.00 H new ATOM 971 N ARG A 63 1.478 -9.412 4.496 1.00 0.00 N ATOM 972 CA ARG A 63 0.747 -10.289 5.392 1.00 0.00 C ATOM 973 C ARG A 63 -0.630 -9.710 5.721 1.00 0.00 C ATOM 974 O ARG A 63 -1.643 -10.396 5.606 1.00 0.00 O ATOM 975 CB ARG A 63 1.560 -10.488 6.675 1.00 0.00 C ATOM 976 CG ARG A 63 0.873 -11.349 7.712 1.00 0.00 C ATOM 977 CD ARG A 63 0.581 -12.730 7.167 1.00 0.00 C ATOM 978 NE ARG A 63 -0.157 -13.540 8.131 1.00 0.00 N ATOM 979 CZ ARG A 63 -0.805 -14.660 7.830 1.00 0.00 C ATOM 980 NH1 ARG A 63 -0.784 -15.138 6.595 1.00 0.00 N ATOM 981 NH2 ARG A 63 -1.482 -15.303 8.773 1.00 0.00 N ATOM 0 H ARG A 63 2.414 -9.174 4.825 1.00 0.00 H new ATOM 0 HA ARG A 63 0.596 -11.250 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.518 -10.940 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.774 -9.513 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.504 -11.430 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.057 -10.874 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.005 -12.644 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.517 -13.228 6.913 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.177 -13.225 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.267 -14.646 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.284 -15.999 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.504 -14.937 9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.981 -16.163 8.546 1.00 0.00 H new ATOM 995 N ALA A 64 -0.653 -8.446 6.121 1.00 0.00 N ATOM 996 CA ALA A 64 -1.897 -7.772 6.472 1.00 0.00 C ATOM 997 C ALA A 64 -2.812 -7.639 5.259 1.00 0.00 C ATOM 998 O ALA A 64 -4.012 -7.901 5.345 1.00 0.00 O ATOM 999 CB ALA A 64 -1.604 -6.404 7.067 1.00 0.00 C ATOM 0 H ALA A 64 0.180 -7.864 6.211 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.413 -8.378 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.541 -5.911 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.996 -6.520 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.064 -5.799 6.339 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.233 -7.244 4.130 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.988 -7.038 2.896 1.00 0.00 C ATOM 1007 C LEU A 65 -3.746 -8.303 2.495 1.00 0.00 C ATOM 1008 O LEU A 65 -4.961 -8.274 2.306 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.042 -6.612 1.769 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.709 -6.313 0.424 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.671 -5.142 0.545 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.654 -6.033 -0.636 1.00 0.00 C ATOM 0 H LEU A 65 -1.234 -7.058 4.043 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.718 -6.248 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.499 -5.723 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.304 -7.400 1.621 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.282 -7.190 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.132 -4.949 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.445 -5.381 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.126 -4.256 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.142 -5.822 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.056 -5.172 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.008 -6.904 -0.745 1.00 0.00 H new ATOM 1024 N GLN A 66 -3.029 -9.415 2.407 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.629 -10.680 1.986 1.00 0.00 C ATOM 1026 C GLN A 66 -4.581 -11.245 3.042 1.00 0.00 C ATOM 1027 O GLN A 66 -5.299 -12.210 2.786 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.540 -11.702 1.642 1.00 0.00 C ATOM 1029 CG GLN A 66 -2.135 -11.696 0.172 1.00 0.00 C ATOM 1030 CD GLN A 66 -1.696 -10.329 -0.318 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -2.510 -9.533 -0.777 1.00 0.00 O ATOM 1032 NE2 GLN A 66 -0.403 -10.059 -0.251 1.00 0.00 N ATOM 0 H GLN A 66 -2.033 -9.470 2.620 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.220 -10.477 1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.660 -11.501 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.892 -12.698 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.323 -12.407 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.975 -12.039 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.242 -10.747 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.051 -9.163 -0.588 1.00 0.00 H new ATOM 1041 N SER A 67 -4.589 -10.639 4.223 1.00 0.00 N ATOM 1042 CA SER A 67 -5.513 -11.042 5.273 1.00 0.00 C ATOM 1043 C SER A 67 -6.726 -10.115 5.298 1.00 0.00 C ATOM 1044 O SER A 67 -7.718 -10.384 5.976 1.00 0.00 O ATOM 1045 CB SER A 67 -4.804 -11.024 6.631 1.00 0.00 C ATOM 1046 OG SER A 67 -3.630 -11.821 6.601 1.00 0.00 O ATOM 0 H SER A 67 -3.968 -9.870 4.476 1.00 0.00 H new ATOM 0 HA SER A 67 -5.856 -12.056 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.546 -9.999 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.479 -11.393 7.403 1.00 0.00 H new ATOM 0 HG SER A 67 -2.934 -11.359 6.089 1.00 0.00 H new ATOM 1052 N SER A 68 -6.641 -9.028 4.544 1.00 0.00 N ATOM 1053 CA SER A 68 -7.712 -8.045 4.492 1.00 0.00 C ATOM 1054 C SER A 68 -8.559 -8.229 3.236 1.00 0.00 C ATOM 1055 O SER A 68 -9.709 -7.790 3.182 1.00 0.00 O ATOM 1056 CB SER A 68 -7.126 -6.635 4.533 1.00 0.00 C ATOM 1057 OG SER A 68 -6.268 -6.476 5.653 1.00 0.00 O ATOM 0 H SER A 68 -5.837 -8.805 3.957 1.00 0.00 H new ATOM 0 HA SER A 68 -8.356 -8.190 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.572 -6.440 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.932 -5.903 4.580 1.00 0.00 H new ATOM 0 HG SER A 68 -5.389 -6.857 5.448 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.987 -8.877 2.228 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.703 -9.136 0.987 1.00 0.00 C ATOM 1065 C ILE A 69 -9.716 -10.261 1.183 1.00 0.00 C ATOM 1066 O ILE A 69 -9.337 -11.413 1.398 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.737 -9.504 -0.163 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -6.751 -8.359 -0.426 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -8.512 -9.843 -1.435 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -7.411 -7.052 -0.820 1.00 0.00 C ATOM 0 H ILE A 69 -7.031 -9.232 2.247 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.224 -8.218 0.714 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.171 -10.386 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.153 -8.196 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.064 -8.660 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.812 -10.099 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.170 -10.691 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.107 -8.982 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.646 -6.294 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.986 -7.196 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.076 -6.725 -0.021 1.00 0.00 H new ATOM 1442 N SER B 8 5.193 10.346 -17.058 1.00 0.00 N ATOM 1443 CA SER B 8 5.677 11.713 -16.993 1.00 0.00 C ATOM 1444 C SER B 8 6.256 12.013 -15.612 1.00 0.00 C ATOM 1445 O SER B 8 5.533 12.004 -14.614 1.00 0.00 O ATOM 1446 CB SER B 8 4.534 12.670 -17.317 1.00 0.00 C ATOM 1447 OG SER B 8 3.874 12.270 -18.507 1.00 0.00 O ATOM 0 HA SER B 8 6.473 11.846 -17.725 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.824 12.691 -16.490 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.921 13.683 -17.431 1.00 0.00 H new ATOM 0 HG SER B 8 3.860 11.292 -18.560 1.00 0.00 H new ATOM 1453 N ASP B 9 7.563 12.266 -15.576 1.00 0.00 N ATOM 1454 CA ASP B 9 8.288 12.515 -14.330 1.00 0.00 C ATOM 1455 C ASP B 9 7.605 13.593 -13.506 1.00 0.00 C ATOM 1456 O ASP B 9 7.390 13.434 -12.303 1.00 0.00 O ATOM 1457 CB ASP B 9 9.725 12.935 -14.645 1.00 0.00 C ATOM 1458 CG ASP B 9 10.539 13.262 -13.408 1.00 0.00 C ATOM 1459 OD1 ASP B 9 11.148 12.333 -12.834 1.00 0.00 O ATOM 1460 OD2 ASP B 9 10.610 14.451 -13.031 1.00 0.00 O ATOM 0 H ASP B 9 8.150 12.304 -16.409 1.00 0.00 H new ATOM 0 HA ASP B 9 8.295 11.594 -13.747 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.218 12.133 -15.195 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.706 13.806 -15.300 1.00 0.00 H new ATOM 1465 N GLU B 10 7.243 14.673 -14.177 1.00 0.00 N ATOM 1466 CA GLU B 10 6.585 15.803 -13.547 1.00 0.00 C ATOM 1467 C GLU B 10 5.305 15.360 -12.837 1.00 0.00 C ATOM 1468 O GLU B 10 5.078 15.705 -11.680 1.00 0.00 O ATOM 1469 CB GLU B 10 6.254 16.877 -14.594 1.00 0.00 C ATOM 1470 CG GLU B 10 7.473 17.539 -15.240 1.00 0.00 C ATOM 1471 CD GLU B 10 8.308 16.594 -16.092 1.00 0.00 C ATOM 1472 OE1 GLU B 10 7.747 15.624 -16.653 1.00 0.00 O ATOM 1473 OE2 GLU B 10 9.532 16.815 -16.200 1.00 0.00 O ATOM 0 H GLU B 10 7.398 14.790 -15.178 1.00 0.00 H new ATOM 0 HA GLU B 10 7.266 16.222 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU B 10 5.645 16.426 -15.377 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.646 17.649 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.137 18.370 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.104 17.960 -14.457 1.00 0.00 H new ATOM 1480 N GLN B 11 4.481 14.583 -13.533 1.00 0.00 N ATOM 1481 CA GLN B 11 3.224 14.093 -12.973 1.00 0.00 C ATOM 1482 C GLN B 11 3.475 13.177 -11.776 1.00 0.00 C ATOM 1483 O GLN B 11 2.858 13.335 -10.720 1.00 0.00 O ATOM 1484 CB GLN B 11 2.419 13.347 -14.042 1.00 0.00 C ATOM 1485 CG GLN B 11 1.092 12.796 -13.538 1.00 0.00 C ATOM 1486 CD GLN B 11 0.322 12.046 -14.608 1.00 0.00 C ATOM 1487 OE1 GLN B 11 0.910 11.458 -15.517 1.00 0.00 O ATOM 1488 NE2 GLN B 11 -1.000 12.057 -14.508 1.00 0.00 N ATOM 0 H GLN B 11 4.661 14.278 -14.489 1.00 0.00 H new ATOM 0 HA GLN B 11 2.651 14.955 -12.631 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.228 14.022 -14.877 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.020 12.524 -14.428 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.277 12.129 -12.696 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.481 13.618 -13.166 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -1.449 12.556 -13.740 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -1.568 11.567 -15.199 1.00 0.00 H new ATOM 1497 N VAL B 12 4.392 12.231 -11.949 1.00 0.00 N ATOM 1498 CA VAL B 12 4.708 11.262 -10.905 1.00 0.00 C ATOM 1499 C VAL B 12 5.243 11.955 -9.655 1.00 0.00 C ATOM 1500 O VAL B 12 4.789 11.686 -8.540 1.00 0.00 O ATOM 1501 CB VAL B 12 5.741 10.223 -11.393 1.00 0.00 C ATOM 1502 CG1 VAL B 12 6.056 9.212 -10.301 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.238 9.515 -12.642 1.00 0.00 C ATOM 0 H VAL B 12 4.932 12.114 -12.807 1.00 0.00 H new ATOM 0 HA VAL B 12 3.779 10.747 -10.659 1.00 0.00 H new ATOM 0 HB VAL B 12 6.661 10.754 -11.640 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.786 8.492 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.465 9.729 -9.433 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.143 8.689 -10.015 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.979 8.787 -12.971 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.302 9.004 -12.418 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.072 10.246 -13.433 1.00 0.00 H new ATOM 1513 N GLU B 13 6.194 12.861 -9.851 1.00 0.00 N ATOM 1514 CA GLU B 13 6.804 13.584 -8.745 1.00 0.00 C ATOM 1515 C GLU B 13 5.765 14.416 -7.999 1.00 0.00 C ATOM 1516 O GLU B 13 5.745 14.438 -6.768 1.00 0.00 O ATOM 1517 CB GLU B 13 7.930 14.483 -9.256 1.00 0.00 C ATOM 1518 CG GLU B 13 8.649 15.243 -8.155 1.00 0.00 C ATOM 1519 CD GLU B 13 9.744 16.132 -8.694 1.00 0.00 C ATOM 1520 OE1 GLU B 13 10.890 15.657 -8.823 1.00 0.00 O ATOM 1521 OE2 GLU B 13 9.463 17.310 -8.998 1.00 0.00 O ATOM 0 H GLU B 13 6.559 13.112 -10.770 1.00 0.00 H new ATOM 0 HA GLU B 13 7.221 12.854 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.653 13.873 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.518 15.197 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.929 15.849 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.076 14.534 -7.446 1.00 0.00 H new ATOM 1528 N GLN B 14 4.894 15.086 -8.749 1.00 0.00 N ATOM 1529 CA GLN B 14 3.854 15.917 -8.153 1.00 0.00 C ATOM 1530 C GLN B 14 2.893 15.083 -7.320 1.00 0.00 C ATOM 1531 O GLN B 14 2.431 15.532 -6.276 1.00 0.00 O ATOM 1532 CB GLN B 14 3.082 16.681 -9.228 1.00 0.00 C ATOM 1533 CG GLN B 14 3.858 17.843 -9.820 1.00 0.00 C ATOM 1534 CD GLN B 14 3.109 18.522 -10.946 1.00 0.00 C ATOM 1535 OE1 GLN B 14 2.344 19.460 -10.724 1.00 0.00 O ATOM 1536 NE2 GLN B 14 3.319 18.047 -12.162 1.00 0.00 N ATOM 0 H GLN B 14 4.888 15.069 -9.769 1.00 0.00 H new ATOM 0 HA GLN B 14 4.347 16.635 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN B 14 2.809 15.992 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.153 17.056 -8.799 1.00 0.00 H new ATOM 0 HG2 GLN B 14 4.070 18.571 -9.037 1.00 0.00 H new ATOM 0 HG3 GLN B 14 4.818 17.484 -10.190 1.00 0.00 H new ATOM 0 HE21 GLN B 14 3.962 17.268 -12.301 1.00 0.00 H new ATOM 0 HE22 GLN B 14 2.838 18.460 -12.961 1.00 0.00 H new ATOM 1545 N LEU B 15 2.593 13.869 -7.771 1.00 0.00 N ATOM 1546 CA LEU B 15 1.700 12.995 -7.022 1.00 0.00 C ATOM 1547 C LEU B 15 2.381 12.523 -5.741 1.00 0.00 C ATOM 1548 O LEU B 15 1.763 12.495 -4.675 1.00 0.00 O ATOM 1549 CB LEU B 15 1.253 11.799 -7.868 1.00 0.00 C ATOM 1550 CG LEU B 15 0.139 10.950 -7.247 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -1.102 11.795 -6.987 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.201 9.775 -8.148 1.00 0.00 C ATOM 0 H LEU B 15 2.950 13.473 -8.640 1.00 0.00 H new ATOM 0 HA LEU B 15 0.809 13.564 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.914 12.165 -8.837 1.00 0.00 H new ATOM 0 HB3 LEU B 15 2.117 11.160 -8.053 1.00 0.00 H new ATOM 0 HG LEU B 15 0.498 10.564 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.880 11.172 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.853 12.605 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.461 12.213 -7.927 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.994 9.183 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.537 10.145 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.684 9.153 -8.284 1.00 0.00 H new ATOM 1564 N LEU B 16 3.659 12.169 -5.852 1.00 0.00 N ATOM 1565 CA LEU B 16 4.459 11.799 -4.689 1.00 0.00 C ATOM 1566 C LEU B 16 4.485 12.940 -3.682 1.00 0.00 C ATOM 1567 O LEU B 16 4.233 12.745 -2.491 1.00 0.00 O ATOM 1568 CB LEU B 16 5.894 11.456 -5.112 1.00 0.00 C ATOM 1569 CG LEU B 16 6.070 10.135 -5.863 1.00 0.00 C ATOM 1570 CD1 LEU B 16 7.458 10.056 -6.479 1.00 0.00 C ATOM 1571 CD2 LEU B 16 5.848 8.961 -4.924 1.00 0.00 C ATOM 0 H LEU B 16 4.163 12.131 -6.738 1.00 0.00 H new ATOM 0 HA LEU B 16 4.005 10.922 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU B 16 6.270 12.263 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.519 11.431 -4.220 1.00 0.00 H new ATOM 0 HG LEU B 16 5.330 10.091 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU B 16 7.567 9.110 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU B 16 7.594 10.882 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU B 16 8.209 10.119 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU B 16 5.976 8.028 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU B 16 6.570 9.006 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU B 16 4.838 9.007 -4.517 1.00 0.00 H new ATOM 1583 N ALA B 17 4.781 14.136 -4.179 1.00 0.00 N ATOM 1584 CA ALA B 17 4.854 15.322 -3.343 1.00 0.00 C ATOM 1585 C ALA B 17 3.496 15.667 -2.747 1.00 0.00 C ATOM 1586 O ALA B 17 3.411 16.055 -1.591 1.00 0.00 O ATOM 1587 CB ALA B 17 5.395 16.496 -4.142 1.00 0.00 C ATOM 0 H ALA B 17 4.975 14.307 -5.166 1.00 0.00 H new ATOM 0 HA ALA B 17 5.535 15.110 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.445 17.378 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.393 16.257 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.736 16.696 -4.987 1.00 0.00 H new ATOM 1593 N GLU B 18 2.441 15.508 -3.537 1.00 0.00 N ATOM 1594 CA GLU B 18 1.089 15.849 -3.102 1.00 0.00 C ATOM 1595 C GLU B 18 0.647 14.974 -1.931 1.00 0.00 C ATOM 1596 O GLU B 18 0.099 15.467 -0.945 1.00 0.00 O ATOM 1597 CB GLU B 18 0.105 15.682 -4.256 1.00 0.00 C ATOM 1598 CG GLU B 18 -1.283 16.210 -3.950 1.00 0.00 C ATOM 1599 CD GLU B 18 -1.350 17.720 -3.948 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.986 18.344 -2.929 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -1.790 18.286 -4.976 1.00 0.00 O ATOM 0 H GLU B 18 2.495 15.143 -4.488 1.00 0.00 H new ATOM 0 HA GLU B 18 1.099 16.889 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.496 16.197 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.034 14.625 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.985 15.821 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.602 15.836 -2.977 1.00 0.00 H new ATOM 1608 N LEU B 19 0.883 13.671 -2.049 1.00 0.00 N ATOM 1609 CA LEU B 19 0.508 12.733 -0.998 1.00 0.00 C ATOM 1610 C LEU B 19 1.221 13.078 0.302 1.00 0.00 C ATOM 1611 O LEU B 19 0.604 13.151 1.367 1.00 0.00 O ATOM 1612 CB LEU B 19 0.847 11.299 -1.412 1.00 0.00 C ATOM 1613 CG LEU B 19 0.122 10.790 -2.659 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.580 9.383 -3.003 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.386 10.824 -2.454 1.00 0.00 C ATOM 0 H LEU B 19 1.331 13.242 -2.859 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.568 12.809 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.921 11.232 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.615 10.634 -0.580 1.00 0.00 H new ATOM 0 HG LEU B 19 0.370 11.448 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.054 9.036 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.653 9.386 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.362 8.715 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.884 10.458 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.653 10.191 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.703 11.848 -2.255 1.00 0.00 H new ATOM 1627 N LEU B 20 2.522 13.315 0.200 1.00 0.00 N ATOM 1628 CA LEU B 20 3.325 13.665 1.363 1.00 0.00 C ATOM 1629 C LEU B 20 2.957 15.057 1.869 1.00 0.00 C ATOM 1630 O LEU B 20 3.022 15.324 3.063 1.00 0.00 O ATOM 1631 CB LEU B 20 4.815 13.598 1.016 1.00 0.00 C ATOM 1632 CG LEU B 20 5.772 13.788 2.198 1.00 0.00 C ATOM 1633 CD1 LEU B 20 5.526 12.728 3.260 1.00 0.00 C ATOM 1634 CD2 LEU B 20 7.214 13.742 1.722 1.00 0.00 C ATOM 0 H LEU B 20 3.043 13.271 -0.676 1.00 0.00 H new ATOM 0 HA LEU B 20 3.119 12.947 2.157 1.00 0.00 H new ATOM 0 HB2 LEU B 20 5.021 12.632 0.555 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.032 14.361 0.268 1.00 0.00 H new ATOM 0 HG LEU B 20 5.585 14.766 2.641 1.00 0.00 H new ATOM 0 HD11 LEU B 20 6.215 12.879 4.091 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.500 12.805 3.620 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.687 11.739 2.831 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.882 13.878 2.572 1.00 0.00 H new ATOM 0 HD22 LEU B 20 7.413 12.777 1.255 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.383 14.538 0.996 1.00 0.00 H new ATOM 1646 N ASN B 21 2.561 15.927 0.947 1.00 0.00 N ATOM 1647 CA ASN B 21 2.129 17.284 1.274 1.00 0.00 C ATOM 1648 C ASN B 21 0.997 17.258 2.294 1.00 0.00 C ATOM 1649 O ASN B 21 1.115 17.827 3.381 1.00 0.00 O ATOM 1650 CB ASN B 21 1.667 17.998 -0.004 1.00 0.00 C ATOM 1651 CG ASN B 21 1.127 19.395 0.246 1.00 0.00 C ATOM 1652 OD1 ASN B 21 1.574 20.096 1.152 1.00 0.00 O ATOM 1653 ND2 ASN B 21 0.156 19.803 -0.561 1.00 0.00 N ATOM 0 H ASN B 21 2.530 15.713 -0.050 1.00 0.00 H new ATOM 0 HA ASN B 21 2.970 17.824 1.709 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.504 18.059 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN B 21 0.895 17.399 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.250 20.731 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -0.185 19.188 -1.300 1.00 0.00 H new ATOM 1660 N VAL B 22 -0.083 16.566 1.945 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.253 16.464 2.812 1.00 0.00 C ATOM 1662 C VAL B 22 -0.885 15.844 4.155 1.00 0.00 C ATOM 1663 O VAL B 22 -1.280 16.342 5.213 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.368 15.621 2.156 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.610 15.589 3.034 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.703 16.156 0.773 1.00 0.00 C ATOM 0 H VAL B 22 -0.173 16.064 1.062 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.621 17.478 2.970 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.002 14.600 2.049 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.382 14.989 2.551 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.361 15.150 4.000 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.978 16.604 3.180 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.491 15.548 0.329 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.044 17.188 0.855 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.815 16.116 0.143 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.113 14.767 4.107 1.00 0.00 N ATOM 1677 CA LEU B 23 0.280 14.052 5.312 1.00 0.00 C ATOM 1678 C LEU B 23 1.167 14.918 6.203 1.00 0.00 C ATOM 1679 O LEU B 23 0.946 15.000 7.408 1.00 0.00 O ATOM 1680 CB LEU B 23 1.006 12.753 4.955 1.00 0.00 C ATOM 1681 CG LEU B 23 0.170 11.730 4.179 1.00 0.00 C ATOM 1682 CD1 LEU B 23 0.988 10.481 3.892 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -1.095 11.375 4.947 1.00 0.00 C ATOM 0 H LEU B 23 0.254 14.369 3.243 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.628 13.810 5.864 1.00 0.00 H new ATOM 0 HB2 LEU B 23 1.889 12.999 4.365 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.358 12.287 5.876 1.00 0.00 H new ATOM 0 HG LEU B 23 -0.122 12.177 3.229 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.378 9.766 3.340 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.862 10.747 3.298 1.00 0.00 H new ATOM 0 HD13 LEU B 23 1.311 10.034 4.832 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -1.674 10.647 4.378 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.826 10.949 5.914 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.692 12.274 5.100 1.00 0.00 H new ATOM 1695 N GLU B 24 2.152 15.574 5.602 1.00 0.00 N ATOM 1696 CA GLU B 24 3.102 16.393 6.348 1.00 0.00 C ATOM 1697 C GLU B 24 2.421 17.602 6.979 1.00 0.00 C ATOM 1698 O GLU B 24 2.801 18.037 8.063 1.00 0.00 O ATOM 1699 CB GLU B 24 4.239 16.857 5.438 1.00 0.00 C ATOM 1700 CG GLU B 24 5.291 17.689 6.151 1.00 0.00 C ATOM 1701 CD GLU B 24 6.351 18.205 5.209 1.00 0.00 C ATOM 1702 OE1 GLU B 24 6.073 19.170 4.469 1.00 0.00 O ATOM 1703 OE2 GLU B 24 7.466 17.654 5.204 1.00 0.00 O ATOM 0 H GLU B 24 2.315 15.555 4.595 1.00 0.00 H new ATOM 0 HA GLU B 24 3.510 15.775 7.147 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.718 15.984 4.996 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.821 17.441 4.618 1.00 0.00 H new ATOM 0 HG2 GLU B 24 4.809 18.531 6.648 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.761 17.087 6.928 1.00 0.00 H new ATOM 1710 N LYS B 25 1.402 18.132 6.310 1.00 0.00 N ATOM 1711 CA LYS B 25 0.673 19.291 6.820 1.00 0.00 C ATOM 1712 C LYS B 25 -0.055 18.972 8.124 1.00 0.00 C ATOM 1713 O LYS B 25 -0.488 19.876 8.837 1.00 0.00 O ATOM 1714 CB LYS B 25 -0.315 19.815 5.775 1.00 0.00 C ATOM 1715 CG LYS B 25 0.349 20.613 4.664 1.00 0.00 C ATOM 1716 CD LYS B 25 -0.659 21.104 3.633 1.00 0.00 C ATOM 1717 CE LYS B 25 -1.729 21.997 4.250 1.00 0.00 C ATOM 1718 NZ LYS B 25 -1.152 23.175 4.952 1.00 0.00 N ATOM 0 H LYS B 25 1.062 17.779 5.415 1.00 0.00 H new ATOM 0 HA LYS B 25 1.408 20.069 7.030 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.850 18.973 5.337 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.057 20.442 6.269 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.873 21.467 5.094 1.00 0.00 H new ATOM 0 HG3 LYS B 25 1.099 19.994 4.172 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -0.136 21.654 2.851 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.135 20.247 3.156 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.407 22.340 3.468 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.323 21.414 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -1.917 23.819 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -0.636 22.857 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -0.499 23.673 4.314 1.00 0.00 H new ATOM 1732 N HIS B 26 -0.188 17.688 8.428 1.00 0.00 N ATOM 1733 CA HIS B 26 -0.812 17.258 9.675 1.00 0.00 C ATOM 1734 C HIS B 26 0.196 16.544 10.572 1.00 0.00 C ATOM 1735 O HIS B 26 0.122 16.642 11.794 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.005 16.336 9.401 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.201 17.038 8.829 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.278 17.425 9.594 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -3.494 17.408 7.558 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.183 18.002 8.824 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -4.731 18.004 7.584 1.00 0.00 N ATOM 0 H HIS B 26 0.127 16.925 7.829 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.169 18.151 10.189 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.693 15.551 8.712 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.294 15.847 10.331 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.871 17.261 6.688 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.130 18.403 9.153 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.221 18.386 6.775 1.00 0.00 H new ATOM 1750 N LYS B 27 1.141 15.840 9.944 1.00 0.00 N ATOM 1751 CA LYS B 27 2.136 15.027 10.647 1.00 0.00 C ATOM 1752 C LYS B 27 1.480 14.071 11.635 1.00 0.00 C ATOM 1753 O LYS B 27 1.542 14.266 12.851 1.00 0.00 O ATOM 1754 CB LYS B 27 3.187 15.891 11.351 1.00 0.00 C ATOM 1755 CG LYS B 27 4.179 16.533 10.395 1.00 0.00 C ATOM 1756 CD LYS B 27 5.375 17.112 11.126 1.00 0.00 C ATOM 1757 CE LYS B 27 6.387 17.692 10.150 1.00 0.00 C ATOM 1758 NZ LYS B 27 7.666 18.051 10.819 1.00 0.00 N ATOM 0 H LYS B 27 1.238 15.818 8.929 1.00 0.00 H new ATOM 0 HA LYS B 27 2.648 14.434 9.889 1.00 0.00 H new ATOM 0 HB2 LYS B 27 2.683 16.673 11.919 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.731 15.276 12.068 1.00 0.00 H new ATOM 0 HG2 LYS B 27 4.519 15.791 9.673 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.681 17.322 9.831 1.00 0.00 H new ATOM 0 HD2 LYS B 27 5.043 17.889 11.814 1.00 0.00 H new ATOM 0 HD3 LYS B 27 5.849 16.335 11.727 1.00 0.00 H new ATOM 0 HE2 LYS B 27 6.583 16.969 9.359 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.966 18.578 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 8.327 18.442 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 7.484 18.761 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 8.082 17.201 11.251 1.00 0.00 H new ATOM 1772 N ALA B 28 0.836 13.049 11.097 1.00 0.00 N ATOM 1773 CA ALA B 28 0.185 12.038 11.910 1.00 0.00 C ATOM 1774 C ALA B 28 1.190 10.966 12.311 1.00 0.00 C ATOM 1775 O ALA B 28 2.158 10.726 11.588 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.980 11.423 11.146 1.00 0.00 C ATOM 0 H ALA B 28 0.750 12.898 10.092 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.204 12.504 12.815 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.462 10.666 11.765 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.702 12.200 10.896 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.611 10.962 10.230 1.00 0.00 H new ATOM 1782 N PRO B 29 0.984 10.322 13.475 1.00 0.00 N ATOM 1783 CA PRO B 29 1.848 9.239 13.953 1.00 0.00 C ATOM 1784 C PRO B 29 2.072 8.168 12.887 1.00 0.00 C ATOM 1785 O PRO B 29 1.193 7.909 12.060 1.00 0.00 O ATOM 1786 CB PRO B 29 1.086 8.657 15.155 1.00 0.00 C ATOM 1787 CG PRO B 29 -0.265 9.298 15.132 1.00 0.00 C ATOM 1788 CD PRO B 29 -0.095 10.608 14.425 1.00 0.00 C ATOM 0 HA PRO B 29 2.844 9.600 14.210 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.005 7.573 15.079 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.605 8.873 16.089 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.986 8.667 14.613 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -0.642 9.448 16.144 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.009 10.917 13.919 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.174 11.409 15.114 1.00 0.00 H new ATOM 1796 N THR B 30 3.246 7.551 12.918 1.00 0.00 N ATOM 1797 CA THR B 30 3.643 6.572 11.915 1.00 0.00 C ATOM 1798 C THR B 30 2.645 5.418 11.833 1.00 0.00 C ATOM 1799 O THR B 30 2.339 4.919 10.750 1.00 0.00 O ATOM 1800 CB THR B 30 5.037 6.012 12.239 1.00 0.00 C ATOM 1801 OG1 THR B 30 5.831 7.029 12.867 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.735 5.527 10.977 1.00 0.00 C ATOM 0 H THR B 30 3.949 7.715 13.638 1.00 0.00 H new ATOM 0 HA THR B 30 3.664 7.082 10.952 1.00 0.00 H new ATOM 0 HB THR B 30 4.919 5.165 12.915 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.719 6.669 13.074 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.719 5.135 11.233 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.141 4.740 10.512 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.845 6.358 10.280 1.00 0.00 H new ATOM 1810 N ASP B 31 2.129 5.008 12.983 1.00 0.00 N ATOM 1811 CA ASP B 31 1.180 3.901 13.043 1.00 0.00 C ATOM 1812 C ASP B 31 -0.139 4.290 12.385 1.00 0.00 C ATOM 1813 O ASP B 31 -0.801 3.467 11.755 1.00 0.00 O ATOM 1814 CB ASP B 31 0.942 3.493 14.497 1.00 0.00 C ATOM 1815 CG ASP B 31 0.198 2.181 14.626 1.00 0.00 C ATOM 1816 OD1 ASP B 31 0.838 1.120 14.479 1.00 0.00 O ATOM 1817 OD2 ASP B 31 -1.017 2.198 14.908 1.00 0.00 O ATOM 0 H ASP B 31 2.350 5.424 13.888 1.00 0.00 H new ATOM 0 HA ASP B 31 1.600 3.054 12.501 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.901 3.413 15.008 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.377 4.277 15.001 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.495 5.562 12.515 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.735 6.078 11.953 1.00 0.00 C ATOM 1824 C LEU B 32 -1.594 6.319 10.453 1.00 0.00 C ATOM 1825 O LEU B 32 -2.497 6.002 9.681 1.00 0.00 O ATOM 1826 CB LEU B 32 -2.148 7.373 12.660 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.376 8.079 12.074 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.583 7.150 12.072 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.683 9.347 12.855 1.00 0.00 C ATOM 0 H LEU B 32 0.063 6.259 13.009 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.512 5.330 12.109 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.345 7.148 13.708 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.306 8.065 12.635 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.153 8.352 11.042 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.443 7.672 11.652 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.363 6.269 11.469 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.808 6.844 13.094 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.558 9.836 12.426 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.883 9.094 13.896 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.828 10.022 12.804 1.00 0.00 H new ATOM 1841 N SER B 33 -0.460 6.871 10.041 1.00 0.00 N ATOM 1842 CA SER B 33 -0.228 7.147 8.631 1.00 0.00 C ATOM 1843 C SER B 33 -0.196 5.850 7.825 1.00 0.00 C ATOM 1844 O SER B 33 -0.799 5.763 6.755 1.00 0.00 O ATOM 1845 CB SER B 33 1.067 7.942 8.451 1.00 0.00 C ATOM 1846 OG SER B 33 2.097 7.437 9.281 1.00 0.00 O ATOM 0 H SER B 33 0.308 7.134 10.659 1.00 0.00 H new ATOM 0 HA SER B 33 -1.053 7.752 8.254 1.00 0.00 H new ATOM 0 HB2 SER B 33 1.382 7.898 7.408 1.00 0.00 H new ATOM 0 HB3 SER B 33 0.888 8.991 8.686 1.00 0.00 H new ATOM 0 HG SER B 33 1.920 6.495 9.485 1.00 0.00 H new ATOM 1852 N LEU B 34 0.480 4.838 8.357 1.00 0.00 N ATOM 1853 CA LEU B 34 0.515 3.525 7.721 1.00 0.00 C ATOM 1854 C LEU B 34 -0.871 2.884 7.738 1.00 0.00 C ATOM 1855 O LEU B 34 -1.241 2.156 6.816 1.00 0.00 O ATOM 1856 CB LEU B 34 1.529 2.611 8.419 1.00 0.00 C ATOM 1857 CG LEU B 34 2.996 3.042 8.299 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.899 2.082 9.063 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.415 3.123 6.837 1.00 0.00 C ATOM 0 H LEU B 34 1.011 4.901 9.226 1.00 0.00 H new ATOM 0 HA LEU B 34 0.825 3.658 6.685 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.271 2.551 9.476 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.429 1.606 8.009 1.00 0.00 H new ATOM 0 HG LEU B 34 3.098 4.034 8.739 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.936 2.403 8.967 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.617 2.077 10.116 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.791 1.077 8.654 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.459 3.430 6.774 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.296 2.146 6.370 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.791 3.851 6.319 1.00 0.00 H new ATOM 1871 N MET B 35 -1.635 3.168 8.789 1.00 0.00 N ATOM 1872 CA MET B 35 -3.004 2.675 8.904 1.00 0.00 C ATOM 1873 C MET B 35 -3.874 3.244 7.785 1.00 0.00 C ATOM 1874 O MET B 35 -4.618 2.512 7.130 1.00 0.00 O ATOM 1875 CB MET B 35 -3.587 3.050 10.271 1.00 0.00 C ATOM 1876 CG MET B 35 -5.012 2.570 10.495 1.00 0.00 C ATOM 1877 SD MET B 35 -5.665 3.075 12.098 1.00 0.00 S ATOM 1878 CE MET B 35 -7.307 2.363 12.042 1.00 0.00 C ATOM 0 H MET B 35 -1.328 3.739 9.576 1.00 0.00 H new ATOM 0 HA MET B 35 -2.990 1.589 8.812 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.949 2.635 11.051 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.560 4.134 10.380 1.00 0.00 H new ATOM 0 HG2 MET B 35 -5.653 2.962 9.705 1.00 0.00 H new ATOM 0 HG3 MET B 35 -5.042 1.483 10.420 1.00 0.00 H new ATOM 0 HE1 MET B 35 -7.835 2.592 12.968 1.00 0.00 H new ATOM 0 HE2 MET B 35 -7.856 2.781 11.198 1.00 0.00 H new ATOM 0 HE3 MET B 35 -7.231 1.282 11.926 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.763 4.550 7.564 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.514 5.218 6.508 1.00 0.00 C ATOM 1890 C VAL B 36 -4.085 4.709 5.134 1.00 0.00 C ATOM 1891 O VAL B 36 -4.923 4.328 4.319 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.339 6.752 6.563 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.101 7.426 5.431 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.797 7.296 7.908 1.00 0.00 C ATOM 0 H VAL B 36 -3.158 5.168 8.104 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.566 4.985 6.670 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.279 6.975 6.442 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.962 8.505 5.491 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.725 7.065 4.474 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.162 7.191 5.516 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.666 8.378 7.927 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.849 7.056 8.058 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.204 6.845 8.704 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.776 4.685 4.896 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.233 4.243 3.613 1.00 0.00 C ATOM 1906 C LEU B 37 -2.599 2.788 3.332 1.00 0.00 C ATOM 1907 O LEU B 37 -2.992 2.446 2.215 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.712 4.411 3.596 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.218 5.852 3.729 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.299 5.890 3.820 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.699 6.693 2.555 1.00 0.00 C ATOM 0 H LEU B 37 -2.070 4.967 5.576 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.671 4.863 2.831 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.288 3.821 4.408 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.326 3.995 2.665 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.630 6.271 4.647 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.632 6.924 3.914 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.626 5.323 4.692 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.729 5.451 2.920 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.338 7.715 2.667 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.316 6.273 1.625 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.789 6.694 2.531 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.482 1.941 4.349 1.00 0.00 N ATOM 1924 CA GLY B 38 -2.829 0.540 4.198 1.00 0.00 C ATOM 1925 C GLY B 38 -4.290 0.356 3.850 1.00 0.00 C ATOM 1926 O GLY B 38 -4.632 -0.413 2.949 1.00 0.00 O ATOM 0 H GLY B 38 -2.152 2.201 5.278 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.211 0.095 3.418 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.606 0.009 5.123 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.150 1.077 4.556 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.584 1.042 4.292 1.00 0.00 C ATOM 1932 C ASN B 39 -6.875 1.592 2.896 1.00 0.00 C ATOM 1933 O ASN B 39 -7.722 1.072 2.172 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.328 1.862 5.352 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.840 1.759 5.240 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.381 0.735 4.827 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.529 2.826 5.617 1.00 0.00 N ATOM 0 H ASN B 39 -4.879 1.696 5.320 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.930 0.009 4.338 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.020 1.527 6.343 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.035 2.908 5.264 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.548 2.818 5.570 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.041 3.656 5.954 1.00 0.00 H new ATOM 1944 N MET B 40 -6.144 2.640 2.528 1.00 0.00 N ATOM 1945 CA MET B 40 -6.274 3.269 1.217 1.00 0.00 C ATOM 1946 C MET B 40 -5.964 2.279 0.097 1.00 0.00 C ATOM 1947 O MET B 40 -6.776 2.081 -0.807 1.00 0.00 O ATOM 1948 CB MET B 40 -5.336 4.474 1.124 1.00 0.00 C ATOM 1949 CG MET B 40 -5.366 5.184 -0.218 1.00 0.00 C ATOM 1950 SD MET B 40 -4.193 6.549 -0.296 1.00 0.00 S ATOM 1951 CE MET B 40 -4.472 7.141 -1.960 1.00 0.00 C ATOM 0 H MET B 40 -5.445 3.077 3.129 1.00 0.00 H new ATOM 0 HA MET B 40 -7.305 3.601 1.099 1.00 0.00 H new ATOM 0 HB2 MET B 40 -5.600 5.187 1.905 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.317 4.143 1.325 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.141 4.469 -1.010 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.372 5.561 -0.405 1.00 0.00 H new ATOM 0 HE1 MET B 40 -3.628 7.755 -2.274 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.575 6.292 -2.636 1.00 0.00 H new ATOM 0 HE3 MET B 40 -5.384 7.738 -1.986 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.790 1.656 0.168 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.368 0.700 -0.849 1.00 0.00 C ATOM 1963 C VAL B 41 -5.341 -0.474 -0.927 1.00 0.00 C ATOM 1964 O VAL B 41 -5.747 -0.882 -2.019 1.00 0.00 O ATOM 1965 CB VAL B 41 -2.941 0.172 -0.573 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.526 -0.856 -1.616 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -1.941 1.320 -0.534 1.00 0.00 C ATOM 0 H VAL B 41 -4.115 1.797 0.920 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.364 1.226 -1.804 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.949 -0.316 0.402 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.519 -1.210 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.219 -1.697 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.543 -0.398 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.943 0.927 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -1.945 1.839 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.218 2.017 0.257 1.00 0.00 H new ATOM 1977 N THR B 42 -5.727 -0.993 0.232 1.00 0.00 N ATOM 1978 CA THR B 42 -6.659 -2.110 0.299 1.00 0.00 C ATOM 1979 C THR B 42 -7.995 -1.745 -0.348 1.00 0.00 C ATOM 1980 O THR B 42 -8.520 -2.493 -1.172 1.00 0.00 O ATOM 1981 CB THR B 42 -6.896 -2.549 1.761 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.642 -2.860 2.383 1.00 0.00 O ATOM 1983 CG2 THR B 42 -7.809 -3.766 1.830 1.00 0.00 C ATOM 0 H THR B 42 -5.408 -0.657 1.140 1.00 0.00 H new ATOM 0 HA THR B 42 -6.213 -2.940 -0.250 1.00 0.00 H new ATOM 0 HB THR B 42 -7.378 -1.725 2.287 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.129 -2.036 2.515 1.00 0.00 H new ATOM 0 HG21 THR B 42 -7.957 -4.051 2.872 1.00 0.00 H new ATOM 0 HG22 THR B 42 -8.772 -3.525 1.380 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.353 -4.594 1.288 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.523 -0.580 0.010 1.00 0.00 N ATOM 1992 CA ASN B 43 -9.805 -0.116 -0.514 1.00 0.00 C ATOM 1993 C ASN B 43 -9.718 0.105 -2.024 1.00 0.00 C ATOM 1994 O ASN B 43 -10.616 -0.287 -2.775 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.211 1.187 0.184 1.00 0.00 C ATOM 1996 CG ASN B 43 -11.668 1.556 -0.037 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -12.274 1.214 -1.052 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -12.243 2.270 0.920 1.00 0.00 N ATOM 0 H ASN B 43 -8.081 0.065 0.665 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.559 -0.878 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.025 1.091 1.254 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -9.579 1.998 -0.178 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.218 2.554 0.828 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.710 2.536 1.748 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.622 0.722 -2.459 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.403 1.011 -3.871 1.00 0.00 C ATOM 2007 C LEU B 44 -8.444 -0.270 -4.699 1.00 0.00 C ATOM 2008 O LEU B 44 -9.183 -0.360 -5.680 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.058 1.721 -4.064 1.00 0.00 C ATOM 2010 CG LEU B 44 -6.745 2.154 -5.498 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.776 3.159 -5.989 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.342 2.739 -5.581 1.00 0.00 C ATOM 0 H LEU B 44 -7.867 1.033 -1.847 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.203 1.667 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.036 2.603 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.264 1.058 -3.721 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.790 1.276 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.537 3.456 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.767 2.705 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.764 4.037 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.134 3.042 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.270 3.606 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.616 1.988 -5.271 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.667 -1.264 -4.285 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.615 -2.542 -4.987 1.00 0.00 C ATOM 2026 C ILE B 45 -8.947 -3.283 -4.857 1.00 0.00 C ATOM 2027 O ILE B 45 -9.400 -3.941 -5.794 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.462 -3.426 -4.450 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.117 -2.730 -4.681 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.473 -4.799 -5.110 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -3.925 -3.507 -4.159 1.00 0.00 C ATOM 0 H ILE B 45 -7.063 -1.210 -3.465 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.428 -2.335 -6.041 1.00 0.00 H new ATOM 0 HB ILE B 45 -6.607 -3.568 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.987 -2.559 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.138 -1.751 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.653 -5.399 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.420 -5.296 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.353 -4.686 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.011 -2.949 -4.360 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.030 -3.656 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.876 -4.476 -4.656 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.579 -3.143 -3.699 1.00 0.00 N ATOM 2044 CA ASN B 46 -10.845 -3.812 -3.410 1.00 0.00 C ATOM 2045 C ASN B 46 -11.951 -3.369 -4.369 1.00 0.00 C ATOM 2046 O ASN B 46 -12.716 -4.191 -4.870 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.269 -3.516 -1.967 1.00 0.00 C ATOM 2048 CG ASN B 46 -12.497 -4.294 -1.533 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -12.695 -5.439 -1.929 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -13.330 -3.672 -0.713 1.00 0.00 N ATOM 0 H ASN B 46 -9.231 -2.565 -2.934 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.693 -4.883 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -10.442 -3.751 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -11.468 -2.449 -1.865 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -14.173 -4.145 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.129 -2.720 -0.407 1.00 0.00 H new ATOM 2057 N THR B 47 -12.029 -2.074 -4.631 1.00 0.00 N ATOM 2058 CA THR B 47 -13.131 -1.528 -5.412 1.00 0.00 C ATOM 2059 C THR B 47 -12.789 -1.391 -6.899 1.00 0.00 C ATOM 2060 O THR B 47 -13.611 -1.704 -7.762 1.00 0.00 O ATOM 2061 CB THR B 47 -13.567 -0.159 -4.856 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.429 0.707 -4.736 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.238 -0.313 -3.499 1.00 0.00 C ATOM 0 H THR B 47 -11.347 -1.383 -4.317 1.00 0.00 H new ATOM 0 HA THR B 47 -13.952 -2.239 -5.325 1.00 0.00 H new ATOM 0 HB THR B 47 -14.285 0.278 -5.551 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.891 0.435 -3.964 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.537 0.667 -3.127 1.00 0.00 H new ATOM 0 HG22 THR B 47 -15.119 -0.947 -3.599 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.540 -0.770 -2.798 1.00 0.00 H new ATOM 2071 N SER B 48 -11.578 -0.936 -7.198 1.00 0.00 N ATOM 2072 CA SER B 48 -11.194 -0.649 -8.577 1.00 0.00 C ATOM 2073 C SER B 48 -10.881 -1.924 -9.356 1.00 0.00 C ATOM 2074 O SER B 48 -10.995 -1.957 -10.582 1.00 0.00 O ATOM 2075 CB SER B 48 -9.985 0.286 -8.603 1.00 0.00 C ATOM 2076 OG SER B 48 -10.228 1.447 -7.825 1.00 0.00 O ATOM 0 H SER B 48 -10.847 -0.758 -6.509 1.00 0.00 H new ATOM 0 HA SER B 48 -12.042 -0.163 -9.060 1.00 0.00 H new ATOM 0 HB2 SER B 48 -9.108 -0.236 -8.221 1.00 0.00 H new ATOM 0 HB3 SER B 48 -9.763 0.572 -9.631 1.00 0.00 H new ATOM 0 HG SER B 48 -10.061 1.248 -6.880 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.487 -2.969 -8.646 1.00 0.00 N ATOM 2083 CA ILE B 49 -10.120 -4.222 -9.284 1.00 0.00 C ATOM 2084 C ILE B 49 -11.152 -5.297 -8.966 1.00 0.00 C ATOM 2085 O ILE B 49 -11.626 -5.400 -7.831 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.714 -4.683 -8.837 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.689 -3.580 -9.120 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -8.318 -5.976 -9.540 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -6.294 -3.902 -8.633 1.00 0.00 C ATOM 0 H ILE B 49 -10.413 -2.974 -7.629 1.00 0.00 H new ATOM 0 HA ILE B 49 -10.097 -4.059 -10.362 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.736 -4.878 -7.765 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.655 -3.396 -10.194 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -8.024 -2.656 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -7.325 -6.281 -9.209 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -9.037 -6.758 -9.296 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -8.308 -5.816 -10.618 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -5.626 -3.074 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.312 -4.057 -7.554 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.937 -4.808 -9.124 1.00 0.00 H new ATOM 2101 N ALA B 50 -11.516 -6.076 -9.979 1.00 0.00 N ATOM 2102 CA ALA B 50 -12.493 -7.143 -9.818 1.00 0.00 C ATOM 2103 C ALA B 50 -11.969 -8.213 -8.862 1.00 0.00 C ATOM 2104 O ALA B 50 -10.779 -8.528 -8.871 1.00 0.00 O ATOM 2105 CB ALA B 50 -12.840 -7.744 -11.172 1.00 0.00 C ATOM 0 H ALA B 50 -11.146 -5.986 -10.925 1.00 0.00 H new ATOM 0 HA ALA B 50 -13.401 -6.724 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -13.572 -8.541 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -13.258 -6.971 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -11.939 -8.151 -11.631 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.861 -8.773 -8.022 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.501 -9.733 -6.968 1.00 0.00 C ATOM 2113 C PRO B 51 -11.625 -10.894 -7.447 1.00 0.00 C ATOM 2114 O PRO B 51 -10.745 -11.348 -6.714 1.00 0.00 O ATOM 2115 CB PRO B 51 -13.854 -10.262 -6.464 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.882 -9.742 -7.416 1.00 0.00 C ATOM 2117 CD PRO B 51 -14.303 -8.500 -8.026 1.00 0.00 C ATOM 0 HA PRO B 51 -11.899 -9.243 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -13.862 -11.352 -6.439 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.053 -9.918 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.110 -10.482 -8.183 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.815 -9.522 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.679 -8.332 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -14.547 -7.612 -7.443 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.857 -11.363 -8.669 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.117 -12.502 -9.208 1.00 0.00 C ATOM 2127 C ALA B 52 -9.610 -12.257 -9.182 1.00 0.00 C ATOM 2128 O ALA B 52 -8.866 -12.980 -8.522 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.573 -12.814 -10.623 1.00 0.00 C ATOM 0 H ALA B 52 -12.552 -10.973 -9.306 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.328 -13.360 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.011 -13.665 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.636 -13.054 -10.618 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.400 -11.947 -11.261 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.164 -11.222 -9.878 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.739 -10.918 -9.957 1.00 0.00 C ATOM 2137 C GLN B 53 -7.331 -9.895 -8.902 1.00 0.00 C ATOM 2138 O GLN B 53 -6.193 -9.431 -8.887 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.353 -10.409 -11.356 1.00 0.00 C ATOM 2140 CG GLN B 53 -8.169 -9.220 -11.847 1.00 0.00 C ATOM 2141 CD GLN B 53 -9.497 -9.625 -12.456 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -10.508 -9.733 -11.763 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -9.503 -9.856 -13.758 1.00 0.00 N ATOM 0 H GLN B 53 -9.764 -10.579 -10.395 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.203 -11.847 -9.765 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.299 -10.131 -11.349 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.462 -11.227 -12.068 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.350 -8.541 -11.014 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.589 -8.669 -12.587 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.643 -9.755 -14.298 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -10.367 -10.135 -14.223 1.00 0.00 H new ATOM 2152 N ARG B 54 -8.259 -9.563 -8.012 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.997 -8.594 -6.953 1.00 0.00 C ATOM 2154 C ARG B 54 -6.818 -9.042 -6.093 1.00 0.00 C ATOM 2155 O ARG B 54 -5.884 -8.276 -5.852 1.00 0.00 O ATOM 2156 CB ARG B 54 -9.239 -8.410 -6.076 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.086 -7.325 -5.020 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.254 -7.318 -4.049 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.527 -6.991 -4.691 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.697 -7.517 -4.320 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -12.737 -8.450 -3.375 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -13.823 -7.122 -4.899 1.00 0.00 N ATOM 0 H ARG B 54 -9.202 -9.951 -8.002 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.749 -7.641 -7.420 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -10.090 -8.168 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.468 -9.355 -5.583 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -8.157 -7.480 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -9.011 -6.352 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.332 -8.297 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.057 -6.596 -3.257 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.521 -6.325 -5.464 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.874 -8.765 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.631 -8.851 -3.092 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.798 -6.413 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.714 -7.527 -4.612 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.856 -10.295 -5.652 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.799 -10.838 -4.808 1.00 0.00 C ATOM 2178 C GLN B 55 -4.528 -11.076 -5.625 1.00 0.00 C ATOM 2179 O GLN B 55 -3.421 -11.077 -5.086 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.267 -12.133 -4.138 1.00 0.00 C ATOM 2181 CG GLN B 55 -5.283 -12.686 -3.119 1.00 0.00 C ATOM 2182 CD GLN B 55 -5.844 -13.860 -2.342 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -7.050 -13.952 -2.116 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -4.977 -14.770 -1.934 1.00 0.00 N ATOM 0 H GLN B 55 -7.606 -10.952 -5.865 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.568 -10.112 -4.028 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.222 -11.952 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -6.442 -12.886 -4.906 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -4.372 -12.996 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -5.004 -11.895 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -3.985 -14.658 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.300 -15.584 -1.412 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.693 -11.254 -6.931 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.558 -11.449 -7.823 1.00 0.00 C ATOM 2195 C ALA B 56 -2.746 -10.166 -7.934 1.00 0.00 C ATOM 2196 O ALA B 56 -1.517 -10.177 -7.809 1.00 0.00 O ATOM 2197 CB ALA B 56 -4.029 -11.905 -9.195 1.00 0.00 C ATOM 0 H ALA B 56 -5.601 -11.267 -7.395 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.919 -12.227 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -3.167 -12.045 -9.847 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.569 -12.847 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.689 -11.150 -9.623 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.439 -9.056 -8.151 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.785 -7.759 -8.238 1.00 0.00 C ATOM 2205 C ILE B 57 -2.197 -7.378 -6.882 1.00 0.00 C ATOM 2206 O ILE B 57 -1.108 -6.801 -6.801 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.758 -6.654 -8.705 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.428 -7.047 -10.027 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -3.028 -5.325 -8.853 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -3.458 -7.276 -11.168 1.00 0.00 C ATOM 0 H ILE B 57 -4.452 -9.028 -8.270 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.989 -7.843 -8.978 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.533 -6.539 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -5.010 -7.955 -9.871 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -5.130 -6.264 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.730 -4.559 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.600 -5.036 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.231 -5.428 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -4.011 -7.550 -12.066 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -2.893 -6.363 -11.354 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -2.771 -8.080 -10.906 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.914 -7.724 -5.818 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.442 -7.483 -4.460 1.00 0.00 C ATOM 2224 C ALA B 58 -1.100 -8.172 -4.221 1.00 0.00 C ATOM 2225 O ALA B 58 -0.194 -7.599 -3.616 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.476 -7.959 -3.449 1.00 0.00 C ATOM 0 H ALA B 58 -3.828 -8.174 -5.871 1.00 0.00 H new ATOM 0 HA ALA B 58 -2.298 -6.410 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -3.110 -7.773 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.410 -7.418 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.649 -9.027 -3.581 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.968 -9.397 -4.718 1.00 0.00 N ATOM 2233 CA ASN B 59 0.272 -10.155 -4.566 1.00 0.00 C ATOM 2234 C ASN B 59 1.398 -9.560 -5.402 1.00 0.00 C ATOM 2235 O ASN B 59 2.533 -9.479 -4.938 1.00 0.00 O ATOM 2236 CB ASN B 59 0.074 -11.627 -4.926 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.352 -12.458 -3.732 1.00 0.00 C ATOM 2238 OD1 ASN B 59 0.483 -12.970 -2.983 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.652 -12.605 -3.545 1.00 0.00 N ATOM 0 H ASN B 59 -1.702 -9.887 -5.229 1.00 0.00 H new ATOM 0 HA ASN B 59 0.555 -10.091 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.679 -11.709 -5.710 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.003 -12.028 -5.332 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -1.995 -13.158 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -2.312 -12.166 -4.186 1.00 0.00 H new ATOM 2246 N SER B 60 1.093 -9.133 -6.624 1.00 0.00 N ATOM 2247 CA SER B 60 2.108 -8.520 -7.474 1.00 0.00 C ATOM 2248 C SER B 60 2.608 -7.216 -6.854 1.00 0.00 C ATOM 2249 O SER B 60 3.776 -6.850 -7.000 1.00 0.00 O ATOM 2250 CB SER B 60 1.577 -8.289 -8.897 1.00 0.00 C ATOM 2251 OG SER B 60 0.297 -7.676 -8.893 1.00 0.00 O ATOM 0 H SER B 60 0.165 -9.199 -7.043 1.00 0.00 H new ATOM 0 HA SER B 60 2.950 -9.208 -7.547 1.00 0.00 H new ATOM 0 HB2 SER B 60 2.278 -7.662 -9.448 1.00 0.00 H new ATOM 0 HB3 SER B 60 1.521 -9.242 -9.422 1.00 0.00 H new ATOM 0 HG SER B 60 0.114 -7.307 -8.004 1.00 0.00 H new ATOM 2257 N PHE B 61 1.718 -6.531 -6.141 1.00 0.00 N ATOM 2258 CA PHE B 61 2.083 -5.322 -5.415 1.00 0.00 C ATOM 2259 C PHE B 61 2.921 -5.685 -4.191 1.00 0.00 C ATOM 2260 O PHE B 61 3.923 -5.037 -3.894 1.00 0.00 O ATOM 2261 CB PHE B 61 0.823 -4.557 -4.992 1.00 0.00 C ATOM 2262 CG PHE B 61 1.099 -3.263 -4.274 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.372 -2.104 -4.984 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.080 -3.205 -2.888 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.621 -0.914 -4.327 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.329 -2.018 -2.225 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.600 -0.871 -2.945 1.00 0.00 C ATOM 0 H PHE B 61 0.737 -6.795 -6.052 1.00 0.00 H new ATOM 0 HA PHE B 61 2.674 -4.680 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.224 -4.347 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.223 -5.197 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.390 -2.131 -6.063 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.868 -4.099 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.832 -0.018 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.312 -1.988 -1.146 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.795 0.058 -2.430 1.00 0.00 H new ATOM 2277 N ALA B 62 2.502 -6.739 -3.497 1.00 0.00 N ATOM 2278 CA ALA B 62 3.212 -7.226 -2.320 1.00 0.00 C ATOM 2279 C ALA B 62 4.645 -7.618 -2.662 1.00 0.00 C ATOM 2280 O ALA B 62 5.581 -7.249 -1.956 1.00 0.00 O ATOM 2281 CB ALA B 62 2.469 -8.406 -1.711 1.00 0.00 C ATOM 0 H ALA B 62 1.667 -7.276 -3.733 1.00 0.00 H new ATOM 0 HA ALA B 62 3.253 -6.418 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.008 -8.761 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.466 -8.093 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.399 -9.210 -2.444 1.00 0.00 H new ATOM 2287 N ARG B 63 4.813 -8.356 -3.756 1.00 0.00 N ATOM 2288 CA ARG B 63 6.140 -8.775 -4.193 1.00 0.00 C ATOM 2289 C ARG B 63 7.002 -7.564 -4.534 1.00 0.00 C ATOM 2290 O ARG B 63 8.190 -7.525 -4.215 1.00 0.00 O ATOM 2291 CB ARG B 63 6.056 -9.702 -5.408 1.00 0.00 C ATOM 2292 CG ARG B 63 5.243 -10.963 -5.167 1.00 0.00 C ATOM 2293 CD ARG B 63 5.417 -11.957 -6.305 1.00 0.00 C ATOM 2294 NE ARG B 63 4.501 -13.089 -6.194 1.00 0.00 N ATOM 2295 CZ ARG B 63 4.878 -14.364 -6.256 1.00 0.00 C ATOM 2296 NH1 ARG B 63 6.165 -14.681 -6.321 1.00 0.00 N ATOM 2297 NH2 ARG B 63 3.959 -15.319 -6.234 1.00 0.00 N ATOM 0 H ARG B 63 4.050 -8.675 -4.353 1.00 0.00 H new ATOM 0 HA ARG B 63 6.599 -9.321 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.618 -9.153 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG B 63 7.065 -9.984 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.551 -11.424 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.189 -10.705 -5.064 1.00 0.00 H new ATOM 0 HD2 ARG B 63 5.252 -11.450 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG B 63 6.444 -12.322 -6.312 1.00 0.00 H new ATOM 0 HE ARG B 63 3.510 -12.890 -6.061 1.00 0.00 H new ATOM 0 HH11 ARG B 63 6.872 -13.946 -6.324 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.447 -15.660 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG B 63 2.971 -15.074 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.240 -16.298 -6.281 1.00 0.00 H new ATOM 2311 N ALA B 64 6.395 -6.574 -5.181 1.00 0.00 N ATOM 2312 CA ALA B 64 7.099 -5.348 -5.532 1.00 0.00 C ATOM 2313 C ALA B 64 7.546 -4.610 -4.275 1.00 0.00 C ATOM 2314 O ALA B 64 8.658 -4.092 -4.212 1.00 0.00 O ATOM 2315 CB ALA B 64 6.218 -4.454 -6.391 1.00 0.00 C ATOM 0 H ALA B 64 5.418 -6.598 -5.472 1.00 0.00 H new ATOM 0 HA ALA B 64 7.985 -5.613 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.761 -3.543 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.948 -4.981 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.314 -4.197 -5.840 1.00 0.00 H new ATOM 2321 N LEU B 65 6.676 -4.584 -3.273 1.00 0.00 N ATOM 2322 CA LEU B 65 6.984 -3.948 -1.997 1.00 0.00 C ATOM 2323 C LEU B 65 8.152 -4.652 -1.311 1.00 0.00 C ATOM 2324 O LEU B 65 9.111 -4.011 -0.880 1.00 0.00 O ATOM 2325 CB LEU B 65 5.756 -3.977 -1.082 1.00 0.00 C ATOM 2326 CG LEU B 65 5.958 -3.364 0.306 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.156 -1.859 0.207 1.00 0.00 C ATOM 2328 CD2 LEU B 65 4.780 -3.695 1.209 1.00 0.00 C ATOM 0 H LEU B 65 5.745 -4.999 -3.320 1.00 0.00 H new ATOM 0 HA LEU B 65 7.264 -2.913 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU B 65 4.941 -3.450 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU B 65 5.438 -5.013 -0.961 1.00 0.00 H new ATOM 0 HG LEU B 65 6.858 -3.794 0.744 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.298 -1.444 1.205 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.035 -1.647 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.278 -1.406 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU B 65 4.939 -3.252 2.192 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.864 -3.294 0.774 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.691 -4.777 1.309 1.00 0.00 H new ATOM 2340 N GLN B 66 8.072 -5.978 -1.238 1.00 0.00 N ATOM 2341 CA GLN B 66 9.099 -6.783 -0.582 1.00 0.00 C ATOM 2342 C GLN B 66 10.418 -6.737 -1.355 1.00 0.00 C ATOM 2343 O GLN B 66 11.464 -7.128 -0.839 1.00 0.00 O ATOM 2344 CB GLN B 66 8.627 -8.234 -0.445 1.00 0.00 C ATOM 2345 CG GLN B 66 7.378 -8.398 0.410 1.00 0.00 C ATOM 2346 CD GLN B 66 6.883 -9.832 0.452 1.00 0.00 C ATOM 2347 OE1 GLN B 66 6.071 -10.249 -0.376 1.00 0.00 O ATOM 2348 NE2 GLN B 66 7.366 -10.597 1.416 1.00 0.00 N ATOM 0 H GLN B 66 7.301 -6.521 -1.628 1.00 0.00 H new ATOM 0 HA GLN B 66 9.270 -6.364 0.410 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.431 -8.637 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN B 66 9.432 -8.828 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.590 -8.061 1.425 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.588 -7.756 0.020 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.037 -10.215 2.083 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.068 -11.569 1.493 1.00 0.00 H new ATOM 2357 N SER B 67 10.356 -6.266 -2.592 1.00 0.00 N ATOM 2358 CA SER B 67 11.542 -6.145 -3.421 1.00 0.00 C ATOM 2359 C SER B 67 12.103 -4.723 -3.349 1.00 0.00 C ATOM 2360 O SER B 67 13.265 -4.527 -3.003 1.00 0.00 O ATOM 2361 CB SER B 67 11.209 -6.517 -4.872 1.00 0.00 C ATOM 2362 OG SER B 67 12.368 -6.536 -5.693 1.00 0.00 O ATOM 0 H SER B 67 9.493 -5.961 -3.043 1.00 0.00 H new ATOM 0 HA SER B 67 12.302 -6.832 -3.048 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.731 -7.497 -4.895 1.00 0.00 H new ATOM 0 HB3 SER B 67 10.491 -5.803 -5.274 1.00 0.00 H new ATOM 0 HG SER B 67 12.116 -6.778 -6.609 1.00 0.00 H new ATOM 2368 N SER B 68 11.260 -3.735 -3.640 1.00 0.00 N ATOM 2369 CA SER B 68 11.695 -2.343 -3.708 1.00 0.00 C ATOM 2370 C SER B 68 12.103 -1.821 -2.332 1.00 0.00 C ATOM 2371 O SER B 68 12.742 -0.773 -2.223 1.00 0.00 O ATOM 2372 CB SER B 68 10.589 -1.465 -4.304 1.00 0.00 C ATOM 2373 OG SER B 68 11.068 -0.159 -4.585 1.00 0.00 O ATOM 0 H SER B 68 10.268 -3.874 -3.833 1.00 0.00 H new ATOM 0 HA SER B 68 12.569 -2.298 -4.357 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.211 -1.922 -5.219 1.00 0.00 H new ATOM 0 HB3 SER B 68 9.752 -1.407 -3.608 1.00 0.00 H new ATOM 0 HG SER B 68 11.710 0.110 -3.895 1.00 0.00 H new ATOM 2379 N ILE B 69 11.730 -2.553 -1.286 1.00 0.00 N ATOM 2380 CA ILE B 69 12.144 -2.215 0.069 1.00 0.00 C ATOM 2381 C ILE B 69 13.664 -2.339 0.196 1.00 0.00 C ATOM 2382 O ILE B 69 14.279 -1.755 1.091 1.00 0.00 O ATOM 2383 CB ILE B 69 11.450 -3.122 1.119 1.00 0.00 C ATOM 2384 CG1 ILE B 69 11.642 -2.562 2.530 1.00 0.00 C ATOM 2385 CG2 ILE B 69 11.975 -4.550 1.043 1.00 0.00 C ATOM 2386 CD1 ILE B 69 10.924 -1.251 2.764 1.00 0.00 C ATOM 0 H ILE B 69 11.142 -3.384 -1.352 1.00 0.00 H new ATOM 0 HA ILE B 69 11.844 -1.186 0.264 1.00 0.00 H new ATOM 0 HB ILE B 69 10.384 -3.137 0.892 1.00 0.00 H new ATOM 0 HG12 ILE B 69 11.287 -3.295 3.254 1.00 0.00 H new ATOM 0 HG13 ILE B 69 12.707 -2.421 2.714 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.471 -5.163 1.790 1.00 0.00 H new ATOM 0 HG22 ILE B 69 11.782 -4.956 0.050 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.048 -4.554 1.234 1.00 0.00 H new ATOM 0 HD11 ILE B 69 11.105 -0.914 3.785 1.00 0.00 H new ATOM 0 HD12 ILE B 69 11.295 -0.503 2.064 1.00 0.00 H new ATOM 0 HD13 ILE B 69 9.854 -1.390 2.612 1.00 0.00 H new