USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 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 18 GLN : amide:sc= -0.144 K(o=0.59,f=-2.6!) USER MOD Set 1.2: A 37 SER OG : rot -63:sc= 0.739 USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.891 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= -0.251 (180deg=-0.252) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0.0437 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 36 MET CE :methyl 157:sc= -0.119 (180deg=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= -0.0902 (180deg=-1.04) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.697 K(o=-0.7,f=-4.1!) USER MOD Single : A 59 TYR OH : rot 131:sc= 0.229 USER MOD Single : A 61 GLN : amide:sc= -1 K(o=-1,f=-0.46) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 83 ASN : amide:sc= 0.535 K(o=0.54,f=-7.2!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -69:sc= 0.715 USER MOD Single : A 92 GLN : amide:sc= -5.37! C(o=-5.4!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 10 65.866 1.816 -15.608 1.00 0.00 N ATOM 171 CA LEU A 10 66.412 0.524 -15.212 1.00 0.00 C ATOM 172 C LEU A 10 67.933 0.590 -15.119 1.00 0.00 C ATOM 173 O LEU A 10 68.571 1.405 -15.784 1.00 0.00 O ATOM 174 CB LEU A 10 66.005 -0.550 -16.222 1.00 0.00 C ATOM 175 CG LEU A 10 64.479 -0.632 -16.289 1.00 0.00 C ATOM 176 CD1 LEU A 10 63.968 0.270 -17.414 1.00 0.00 C ATOM 177 CD2 LEU A 10 64.058 -2.078 -16.563 1.00 0.00 C ATOM 0 HA LEU A 10 66.011 0.268 -14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 10 66.411 -0.313 -17.205 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.420 -1.515 -15.930 1.00 0.00 H new ATOM 0 HG LEU A 10 64.055 -0.303 -15.340 1.00 0.00 H new ATOM 0 HD11 LEU A 10 62.881 0.212 -17.462 1.00 0.00 H new ATOM 0 HD12 LEU A 10 64.268 1.300 -17.219 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.391 -0.058 -18.364 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.971 -2.138 -16.611 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.482 -2.407 -17.512 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.422 -2.721 -15.761 1.00 0.00 H new ATOM 189 N VAL A 11 68.507 -0.271 -14.287 1.00 0.00 N ATOM 190 CA VAL A 11 69.953 -0.300 -14.111 1.00 0.00 C ATOM 191 C VAL A 11 70.616 -1.045 -15.264 1.00 0.00 C ATOM 192 O VAL A 11 70.025 -1.954 -15.848 1.00 0.00 O ATOM 193 CB VAL A 11 70.307 -0.983 -12.790 1.00 0.00 C ATOM 194 CG1 VAL A 11 70.141 -2.497 -12.940 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.758 -0.662 -12.422 1.00 0.00 C ATOM 0 H VAL A 11 67.997 -0.954 -13.727 1.00 0.00 H new ATOM 0 HA VAL A 11 70.319 0.727 -14.096 1.00 0.00 H new ATOM 0 HB VAL A 11 69.645 -0.620 -12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 70.393 -2.986 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 11 69.108 -2.726 -13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 11 70.804 -2.860 -13.726 1.00 0.00 H new ATOM 0 HG21 VAL A 11 72.011 -1.149 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.421 -1.025 -13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.877 0.416 -12.316 1.00 0.00 H new ATOM 205 N THR A 12 71.842 -0.652 -15.587 1.00 0.00 N ATOM 206 CA THR A 12 72.574 -1.286 -16.676 1.00 0.00 C ATOM 207 C THR A 12 73.981 -1.664 -16.227 1.00 0.00 C ATOM 208 O THR A 12 74.502 -1.116 -15.256 1.00 0.00 O ATOM 209 CB THR A 12 72.655 -0.336 -17.871 1.00 0.00 C ATOM 210 OG1 THR A 12 73.026 -1.069 -19.030 1.00 0.00 O ATOM 211 CG2 THR A 12 73.696 0.749 -17.592 1.00 0.00 C ATOM 0 H THR A 12 72.347 0.097 -15.114 1.00 0.00 H new ATOM 0 HA THR A 12 72.043 -2.192 -16.968 1.00 0.00 H new ATOM 0 HB THR A 12 71.684 0.132 -18.033 1.00 0.00 H new ATOM 0 HG1 THR A 12 72.609 -1.956 -19.004 1.00 0.00 H new ATOM 0 HG21 THR A 12 73.753 1.426 -18.444 1.00 0.00 H new ATOM 0 HG22 THR A 12 73.408 1.309 -16.702 1.00 0.00 H new ATOM 0 HG23 THR A 12 74.670 0.286 -17.430 1.00 0.00 H new ATOM 219 N ILE A 13 74.588 -2.605 -16.942 1.00 0.00 N ATOM 220 CA ILE A 13 75.935 -3.053 -16.608 1.00 0.00 C ATOM 221 C ILE A 13 76.858 -2.938 -17.816 1.00 0.00 C ATOM 222 O ILE A 13 76.399 -2.843 -18.956 1.00 0.00 O ATOM 223 CB ILE A 13 75.894 -4.503 -16.117 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.455 -5.429 -17.258 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.900 -4.621 -14.961 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.465 -6.878 -16.768 1.00 0.00 C ATOM 0 H ILE A 13 74.173 -3.069 -17.750 1.00 0.00 H new ATOM 0 HA ILE A 13 76.325 -2.415 -15.815 1.00 0.00 H new ATOM 0 HB ILE A 13 76.889 -4.794 -15.779 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.457 -5.156 -17.599 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.125 -5.317 -18.110 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.870 -5.653 -14.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.212 -3.970 -14.145 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.908 -4.325 -15.302 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.153 -7.538 -17.578 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.472 -7.147 -16.448 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.777 -6.983 -15.929 1.00 0.00 H new ATOM 238 N LYS A 14 78.161 -2.955 -17.559 1.00 0.00 N ATOM 239 CA LYS A 14 79.142 -2.859 -18.632 1.00 0.00 C ATOM 240 C LYS A 14 80.161 -3.987 -18.524 1.00 0.00 C ATOM 241 O LYS A 14 80.856 -4.116 -17.513 1.00 0.00 O ATOM 242 CB LYS A 14 79.863 -1.510 -18.563 1.00 0.00 C ATOM 243 CG LYS A 14 80.834 -1.383 -19.738 1.00 0.00 C ATOM 244 CD LYS A 14 81.598 -0.062 -19.628 1.00 0.00 C ATOM 245 CE LYS A 14 82.531 0.092 -20.831 1.00 0.00 C ATOM 246 NZ LYS A 14 83.829 -0.582 -20.543 1.00 0.00 N ATOM 0 H LYS A 14 78.560 -3.034 -16.624 1.00 0.00 H new ATOM 0 HA LYS A 14 78.620 -2.943 -19.585 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.137 -0.697 -18.589 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.404 -1.424 -17.621 1.00 0.00 H new ATOM 0 HG2 LYS A 14 81.532 -2.220 -19.739 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.288 -1.422 -20.681 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.898 0.773 -19.589 1.00 0.00 H new ATOM 0 HD3 LYS A 14 82.174 -0.039 -18.703 1.00 0.00 H new ATOM 0 HE2 LYS A 14 82.072 -0.343 -21.719 1.00 0.00 H new ATOM 0 HE3 LYS A 14 82.697 1.148 -21.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 84.509 -0.364 -21.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 84.202 -0.243 -19.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 83.683 -1.611 -20.495 1.00 0.00 H new ATOM 260 N ILE A 15 80.250 -4.798 -19.574 1.00 0.00 N ATOM 261 CA ILE A 15 81.194 -5.906 -19.591 1.00 0.00 C ATOM 262 C ILE A 15 81.777 -6.099 -20.987 1.00 0.00 C ATOM 263 O ILE A 15 81.056 -6.050 -21.985 1.00 0.00 O ATOM 264 CB ILE A 15 80.521 -7.207 -19.134 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.351 -7.566 -20.069 1.00 0.00 C ATOM 266 CG2 ILE A 15 80.013 -7.054 -17.700 1.00 0.00 C ATOM 267 CD1 ILE A 15 78.266 -6.478 -20.045 1.00 0.00 C ATOM 0 H ILE A 15 79.684 -4.709 -20.418 1.00 0.00 H new ATOM 0 HA ILE A 15 82.000 -5.662 -18.898 1.00 0.00 H new ATOM 0 HB ILE A 15 81.256 -8.011 -19.171 1.00 0.00 H new ATOM 0 HG12 ILE A 15 79.721 -7.692 -21.087 1.00 0.00 H new ATOM 0 HG13 ILE A 15 78.920 -8.520 -19.766 1.00 0.00 H new ATOM 0 HG21 ILE A 15 79.536 -7.981 -17.382 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.851 -6.831 -17.039 1.00 0.00 H new ATOM 0 HG23 ILE A 15 79.289 -6.240 -17.655 1.00 0.00 H new ATOM 0 HD11 ILE A 15 77.453 -6.760 -20.715 1.00 0.00 H new ATOM 0 HD12 ILE A 15 77.880 -6.371 -19.031 1.00 0.00 H new ATOM 0 HD13 ILE A 15 78.694 -5.530 -20.372 1.00 0.00 H new ATOM 279 N GLY A 16 83.082 -6.326 -21.049 1.00 0.00 N ATOM 280 CA GLY A 16 83.752 -6.537 -22.326 1.00 0.00 C ATOM 281 C GLY A 16 83.815 -5.250 -23.138 1.00 0.00 C ATOM 282 O GLY A 16 84.350 -5.233 -24.246 1.00 0.00 O ATOM 0 H GLY A 16 83.695 -6.369 -20.235 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.762 -6.909 -22.152 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.223 -7.302 -22.894 1.00 0.00 H new ATOM 286 N GLY A 17 83.262 -4.174 -22.588 1.00 0.00 N ATOM 287 CA GLY A 17 83.261 -2.892 -23.284 1.00 0.00 C ATOM 288 C GLY A 17 81.931 -2.659 -23.993 1.00 0.00 C ATOM 289 O GLY A 17 81.784 -1.706 -24.758 1.00 0.00 O ATOM 0 H GLY A 17 82.813 -4.163 -21.672 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.444 -2.087 -22.572 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.074 -2.867 -24.010 1.00 0.00 H new ATOM 293 N GLN A 18 80.965 -3.534 -23.729 1.00 0.00 N ATOM 294 CA GLN A 18 79.646 -3.412 -24.343 1.00 0.00 C ATOM 295 C GLN A 18 78.595 -3.097 -23.283 1.00 0.00 C ATOM 296 O GLN A 18 78.721 -3.512 -22.130 1.00 0.00 O ATOM 297 CB GLN A 18 79.279 -4.715 -25.058 1.00 0.00 C ATOM 298 CG GLN A 18 80.268 -4.973 -26.196 1.00 0.00 C ATOM 299 CD GLN A 18 79.957 -6.308 -26.864 1.00 0.00 C ATOM 300 OE1 GLN A 18 79.238 -7.132 -26.299 1.00 0.00 O ATOM 301 NE2 GLN A 18 80.459 -6.575 -28.039 1.00 0.00 N ATOM 0 H GLN A 18 81.069 -4.330 -23.099 1.00 0.00 H new ATOM 0 HA GLN A 18 79.674 -2.598 -25.068 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.296 -5.546 -24.353 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.265 -4.652 -25.452 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.210 -4.168 -26.929 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.287 -4.979 -25.809 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.055 -5.892 -28.506 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.256 -7.467 -28.490 1.00 0.00 H new ATOM 310 N LEU A 19 77.557 -2.363 -23.677 1.00 0.00 N ATOM 311 CA LEU A 19 76.494 -2.003 -22.745 1.00 0.00 C ATOM 312 C LEU A 19 75.341 -2.998 -22.835 1.00 0.00 C ATOM 313 O LEU A 19 74.903 -3.360 -23.927 1.00 0.00 O ATOM 314 CB LEU A 19 75.979 -0.594 -23.050 1.00 0.00 C ATOM 315 CG LEU A 19 77.106 0.422 -22.834 1.00 0.00 C ATOM 316 CD1 LEU A 19 78.165 0.274 -23.932 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.527 1.838 -22.873 1.00 0.00 C ATOM 0 H LEU A 19 77.430 -2.009 -24.625 1.00 0.00 H new ATOM 0 HA LEU A 19 76.903 -2.027 -21.735 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.620 -0.541 -24.078 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.133 -0.357 -22.405 1.00 0.00 H new ATOM 0 HG LEU A 19 77.570 0.240 -21.865 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.961 1.000 -23.770 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.581 -0.733 -23.903 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.707 0.449 -24.905 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.327 2.562 -22.720 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.059 2.013 -23.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 75.782 1.948 -22.085 1.00 0.00 H new ATOM 329 N LYS A 20 74.857 -3.434 -21.678 1.00 0.00 N ATOM 330 CA LYS A 20 73.755 -4.388 -21.631 1.00 0.00 C ATOM 331 C LYS A 20 72.858 -4.120 -20.427 1.00 0.00 C ATOM 332 O LYS A 20 73.242 -3.401 -19.503 1.00 0.00 O ATOM 333 CB LYS A 20 74.305 -5.812 -21.560 1.00 0.00 C ATOM 334 CG LYS A 20 75.079 -6.120 -22.844 1.00 0.00 C ATOM 335 CD LYS A 20 75.533 -7.579 -22.830 1.00 0.00 C ATOM 336 CE LYS A 20 76.406 -7.853 -24.055 1.00 0.00 C ATOM 337 NZ LYS A 20 76.009 -9.150 -24.668 1.00 0.00 N ATOM 0 H LYS A 20 75.207 -3.144 -20.765 1.00 0.00 H new ATOM 0 HA LYS A 20 73.160 -4.273 -22.537 1.00 0.00 H new ATOM 0 HB2 LYS A 20 74.958 -5.919 -20.694 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.489 -6.523 -21.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 74.450 -5.933 -23.714 1.00 0.00 H new ATOM 0 HG3 LYS A 20 75.943 -5.460 -22.927 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.092 -7.788 -21.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 74.667 -8.241 -22.832 1.00 0.00 H new ATOM 0 HE2 LYS A 20 76.296 -7.047 -24.781 1.00 0.00 H new ATOM 0 HE3 LYS A 20 77.457 -7.881 -23.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 76.849 -9.617 -25.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 75.584 -9.761 -23.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 75.317 -8.979 -25.425 1.00 0.00 H new ATOM 351 N GLU A 21 71.668 -4.710 -20.436 1.00 0.00 N ATOM 352 CA GLU A 21 70.732 -4.536 -19.331 1.00 0.00 C ATOM 353 C GLU A 21 70.494 -5.870 -18.633 1.00 0.00 C ATOM 354 O GLU A 21 70.531 -6.926 -19.266 1.00 0.00 O ATOM 355 CB GLU A 21 69.401 -3.982 -19.845 1.00 0.00 C ATOM 356 CG GLU A 21 69.632 -2.621 -20.503 1.00 0.00 C ATOM 357 CD GLU A 21 68.299 -2.019 -20.936 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.306 -2.726 -20.878 1.00 0.00 O ATOM 359 OE2 GLU A 21 68.290 -0.859 -21.315 1.00 0.00 O ATOM 0 H GLU A 21 71.330 -5.308 -21.190 1.00 0.00 H new ATOM 0 HA GLU A 21 71.161 -3.829 -18.621 1.00 0.00 H new ATOM 0 HB2 GLU A 21 68.960 -4.674 -20.563 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.694 -3.884 -19.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 70.134 -1.951 -19.805 1.00 0.00 H new ATOM 0 HG3 GLU A 21 70.288 -2.732 -21.366 1.00 0.00 H new ATOM 366 N ALA A 22 70.252 -5.820 -17.328 1.00 0.00 N ATOM 367 CA ALA A 22 70.016 -7.039 -16.565 1.00 0.00 C ATOM 368 C ALA A 22 68.990 -6.796 -15.462 1.00 0.00 C ATOM 369 O ALA A 22 68.862 -5.683 -14.952 1.00 0.00 O ATOM 370 CB ALA A 22 71.327 -7.528 -15.947 1.00 0.00 C ATOM 0 H ALA A 22 70.214 -4.959 -16.782 1.00 0.00 H new ATOM 0 HA ALA A 22 69.627 -7.799 -17.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.143 -8.439 -15.378 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.048 -7.733 -16.738 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.725 -6.760 -15.284 1.00 0.00 H new ATOM 376 N LEU A 23 68.267 -7.850 -15.096 1.00 0.00 N ATOM 377 CA LEU A 23 67.257 -7.752 -14.049 1.00 0.00 C ATOM 378 C LEU A 23 67.782 -8.345 -12.746 1.00 0.00 C ATOM 379 O LEU A 23 68.536 -9.318 -12.756 1.00 0.00 O ATOM 380 CB LEU A 23 65.989 -8.496 -14.471 1.00 0.00 C ATOM 381 CG LEU A 23 65.485 -7.944 -15.806 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.187 -8.655 -16.191 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.220 -6.444 -15.667 1.00 0.00 C ATOM 0 H LEU A 23 68.361 -8.778 -15.508 1.00 0.00 H new ATOM 0 HA LEU A 23 67.025 -6.699 -13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.195 -9.562 -14.562 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.220 -8.385 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 23 66.236 -8.112 -16.578 1.00 0.00 H new ATOM 0 HD11 LEU A 23 63.826 -8.263 -17.142 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.373 -9.725 -16.286 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.436 -8.484 -15.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.861 -6.048 -16.617 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.467 -6.277 -14.897 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.143 -5.936 -15.388 1.00 0.00 H new ATOM 395 N LEU A 24 67.376 -7.759 -11.627 1.00 0.00 N ATOM 396 CA LEU A 24 67.812 -8.247 -10.325 1.00 0.00 C ATOM 397 C LEU A 24 66.860 -9.324 -9.816 1.00 0.00 C ATOM 398 O LEU A 24 65.642 -9.203 -9.950 1.00 0.00 O ATOM 399 CB LEU A 24 67.865 -7.093 -9.323 1.00 0.00 C ATOM 400 CG LEU A 24 68.767 -5.983 -9.865 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.881 -4.865 -8.828 1.00 0.00 C ATOM 402 CD2 LEU A 24 70.158 -6.552 -10.151 1.00 0.00 C ATOM 0 H LEU A 24 66.752 -6.953 -11.594 1.00 0.00 H new ATOM 0 HA LEU A 24 68.808 -8.676 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.862 -6.706 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.244 -7.448 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 24 68.338 -5.584 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.524 -4.074 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.891 -4.459 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 24 69.310 -5.264 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.802 -5.762 -10.537 1.00 0.00 H new ATOM 0 HD22 LEU A 24 70.585 -6.950 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 24 70.080 -7.350 -10.889 1.00 0.00 H new ATOM 414 N ASP A 25 67.424 -10.377 -9.235 1.00 0.00 N ATOM 415 CA ASP A 25 66.614 -11.472 -8.713 1.00 0.00 C ATOM 416 C ASP A 25 67.169 -11.970 -7.383 1.00 0.00 C ATOM 417 O ASP A 25 68.040 -12.839 -7.349 1.00 0.00 O ATOM 418 CB ASP A 25 66.587 -12.622 -9.721 1.00 0.00 C ATOM 419 CG ASP A 25 65.630 -13.710 -9.247 1.00 0.00 C ATOM 420 OD1 ASP A 25 64.967 -13.493 -8.246 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.575 -14.745 -9.890 1.00 0.00 O ATOM 0 H ASP A 25 68.430 -10.496 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 25 65.601 -11.104 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 25 66.275 -12.253 -10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.589 -13.035 -9.841 1.00 0.00 H new ATOM 426 N THR A 26 66.656 -11.415 -6.291 1.00 0.00 N ATOM 427 CA THR A 26 67.102 -11.809 -4.958 1.00 0.00 C ATOM 428 C THR A 26 66.798 -13.282 -4.701 1.00 0.00 C ATOM 429 O THR A 26 67.450 -13.924 -3.878 1.00 0.00 O ATOM 430 CB THR A 26 66.405 -10.949 -3.901 1.00 0.00 C ATOM 431 OG1 THR A 26 66.624 -9.576 -4.191 1.00 0.00 O ATOM 432 CG2 THR A 26 66.971 -11.279 -2.519 1.00 0.00 C ATOM 0 H THR A 26 65.934 -10.694 -6.301 1.00 0.00 H new ATOM 0 HA THR A 26 68.180 -11.659 -4.897 1.00 0.00 H new ATOM 0 HB THR A 26 65.335 -11.156 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 26 66.177 -9.024 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 26 66.474 -10.666 -1.767 1.00 0.00 H new ATOM 0 HG22 THR A 26 66.801 -12.333 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 68.041 -11.073 -2.506 1.00 0.00 H new ATOM 440 N GLY A 27 65.808 -13.812 -5.409 1.00 0.00 N ATOM 441 CA GLY A 27 65.429 -15.211 -5.248 1.00 0.00 C ATOM 442 C GLY A 27 66.531 -16.144 -5.741 1.00 0.00 C ATOM 443 O GLY A 27 66.511 -17.343 -5.462 1.00 0.00 O ATOM 0 H GLY A 27 65.256 -13.298 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 27 65.220 -15.415 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 27 64.510 -15.407 -5.800 1.00 0.00 H new ATOM 447 N ALA A 28 67.490 -15.592 -6.477 1.00 0.00 N ATOM 448 CA ALA A 28 68.591 -16.395 -7.002 1.00 0.00 C ATOM 449 C ALA A 28 69.926 -15.926 -6.432 1.00 0.00 C ATOM 450 O ALA A 28 70.132 -14.733 -6.214 1.00 0.00 O ATOM 451 CB ALA A 28 68.624 -16.298 -8.527 1.00 0.00 C ATOM 0 H ALA A 28 67.529 -14.603 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 28 68.430 -17.431 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.448 -16.899 -8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.683 -16.667 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.765 -15.258 -8.822 1.00 0.00 H new ATOM 457 N ASP A 29 70.832 -16.871 -6.196 1.00 0.00 N ATOM 458 CA ASP A 29 72.145 -16.533 -5.659 1.00 0.00 C ATOM 459 C ASP A 29 73.215 -16.624 -6.746 1.00 0.00 C ATOM 460 O ASP A 29 74.359 -16.223 -6.538 1.00 0.00 O ATOM 461 CB ASP A 29 72.497 -17.478 -4.507 1.00 0.00 C ATOM 462 CG ASP A 29 72.632 -18.906 -5.024 1.00 0.00 C ATOM 463 OD1 ASP A 29 72.693 -19.076 -6.232 1.00 0.00 O ATOM 464 OD2 ASP A 29 72.672 -19.810 -4.206 1.00 0.00 O ATOM 0 H ASP A 29 70.683 -17.866 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 29 72.111 -15.508 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 29 73.430 -17.162 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.724 -17.432 -3.740 1.00 0.00 H new ATOM 469 N ASP A 30 72.834 -17.159 -7.904 1.00 0.00 N ATOM 470 CA ASP A 30 73.770 -17.302 -9.016 1.00 0.00 C ATOM 471 C ASP A 30 73.495 -16.255 -10.092 1.00 0.00 C ATOM 472 O ASP A 30 72.417 -15.664 -10.133 1.00 0.00 O ATOM 473 CB ASP A 30 73.653 -18.702 -9.620 1.00 0.00 C ATOM 474 CG ASP A 30 74.107 -19.745 -8.605 1.00 0.00 C ATOM 475 OD1 ASP A 30 74.722 -19.359 -7.623 1.00 0.00 O ATOM 476 OD2 ASP A 30 73.835 -20.914 -8.823 1.00 0.00 O ATOM 0 H ASP A 30 71.891 -17.498 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 30 74.780 -17.154 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 30 72.622 -18.895 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.262 -18.770 -10.522 1.00 0.00 H new ATOM 481 N THR A 31 74.477 -16.030 -10.965 1.00 0.00 N ATOM 482 CA THR A 31 74.324 -15.051 -12.036 1.00 0.00 C ATOM 483 C THR A 31 74.594 -15.685 -13.399 1.00 0.00 C ATOM 484 O THR A 31 75.605 -16.361 -13.590 1.00 0.00 O ATOM 485 CB THR A 31 75.293 -13.887 -11.818 1.00 0.00 C ATOM 486 OG1 THR A 31 75.039 -13.290 -10.554 1.00 0.00 O ATOM 487 CG2 THR A 31 75.108 -12.847 -12.926 1.00 0.00 C ATOM 0 H THR A 31 75.378 -16.508 -10.951 1.00 0.00 H new ATOM 0 HA THR A 31 73.297 -14.686 -12.018 1.00 0.00 H new ATOM 0 HB THR A 31 76.317 -14.259 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 31 75.660 -12.545 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.800 -12.020 -12.768 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.308 -13.307 -13.894 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.084 -12.473 -12.907 1.00 0.00 H new ATOM 495 N VAL A 32 73.690 -15.451 -14.346 1.00 0.00 N ATOM 496 CA VAL A 32 73.847 -15.991 -15.693 1.00 0.00 C ATOM 497 C VAL A 32 73.445 -14.949 -16.733 1.00 0.00 C ATOM 498 O VAL A 32 72.604 -14.091 -16.465 1.00 0.00 O ATOM 499 CB VAL A 32 72.990 -17.250 -15.859 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.448 -18.319 -14.863 1.00 0.00 C ATOM 501 CG2 VAL A 32 71.522 -16.912 -15.593 1.00 0.00 C ATOM 0 H VAL A 32 72.846 -14.895 -14.207 1.00 0.00 H new ATOM 0 HA VAL A 32 74.895 -16.251 -15.843 1.00 0.00 H new ATOM 0 HB VAL A 32 73.100 -17.626 -16.876 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.837 -19.214 -14.983 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.493 -18.566 -15.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.340 -17.940 -13.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 70.915 -17.809 -15.712 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.414 -16.533 -14.577 1.00 0.00 H new ATOM 0 HG23 VAL A 32 71.189 -16.153 -16.301 1.00 0.00 H new ATOM 511 N ILE A 33 74.045 -15.024 -17.920 1.00 0.00 N ATOM 512 CA ILE A 33 73.724 -14.071 -18.981 1.00 0.00 C ATOM 513 C ILE A 33 73.318 -14.788 -20.269 1.00 0.00 C ATOM 514 O ILE A 33 73.750 -15.911 -20.529 1.00 0.00 O ATOM 515 CB ILE A 33 74.926 -13.158 -19.243 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.094 -13.980 -19.797 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.350 -12.490 -17.935 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.269 -13.048 -20.101 1.00 0.00 C ATOM 0 H ILE A 33 74.745 -15.723 -18.169 1.00 0.00 H new ATOM 0 HA ILE A 33 72.877 -13.469 -18.651 1.00 0.00 H new ATOM 0 HB ILE A 33 74.647 -12.396 -19.971 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.394 -14.739 -19.075 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.788 -14.505 -20.702 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.205 -11.840 -18.119 1.00 0.00 H new ATOM 0 HG22 ILE A 33 74.522 -11.899 -17.543 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.625 -13.255 -17.209 1.00 0.00 H new ATOM 0 HD11 ILE A 33 78.102 -13.630 -20.495 1.00 0.00 H new ATOM 0 HD12 ILE A 33 76.963 -12.306 -20.838 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.580 -12.544 -19.186 1.00 0.00 H new ATOM 530 N GLU A 34 72.480 -14.127 -21.066 1.00 0.00 N ATOM 531 CA GLU A 34 72.009 -14.700 -22.326 1.00 0.00 C ATOM 532 C GLU A 34 73.128 -14.794 -23.350 1.00 0.00 C ATOM 533 O GLU A 34 73.645 -15.873 -23.635 1.00 0.00 O ATOM 534 CB GLU A 34 70.873 -13.839 -22.894 1.00 0.00 C ATOM 535 CG GLU A 34 70.341 -14.460 -24.190 1.00 0.00 C ATOM 536 CD GLU A 34 69.271 -13.560 -24.799 1.00 0.00 C ATOM 537 OE1 GLU A 34 69.040 -12.494 -24.253 1.00 0.00 O ATOM 538 OE2 GLU A 34 68.698 -13.950 -25.803 1.00 0.00 O ATOM 0 H GLU A 34 72.114 -13.197 -20.863 1.00 0.00 H new ATOM 0 HA GLU A 34 71.649 -15.708 -22.120 1.00 0.00 H new ATOM 0 HB2 GLU A 34 70.068 -13.757 -22.164 1.00 0.00 H new ATOM 0 HB3 GLU A 34 71.233 -12.828 -23.087 1.00 0.00 H new ATOM 0 HG2 GLU A 34 71.158 -14.599 -24.898 1.00 0.00 H new ATOM 0 HG3 GLU A 34 69.925 -15.447 -23.986 1.00 0.00 H new ATOM 545 N GLU A 35 73.475 -13.652 -23.902 1.00 0.00 N ATOM 546 CA GLU A 35 74.524 -13.583 -24.916 1.00 0.00 C ATOM 547 C GLU A 35 75.888 -13.345 -24.280 1.00 0.00 C ATOM 548 O GLU A 35 75.988 -12.825 -23.169 1.00 0.00 O ATOM 549 CB GLU A 35 74.222 -12.469 -25.924 1.00 0.00 C ATOM 550 CG GLU A 35 73.026 -12.865 -26.797 1.00 0.00 C ATOM 551 CD GLU A 35 72.765 -11.786 -27.843 1.00 0.00 C ATOM 552 OE1 GLU A 35 73.391 -10.742 -27.757 1.00 0.00 O ATOM 553 OE2 GLU A 35 71.944 -12.019 -28.714 1.00 0.00 O ATOM 0 H GLU A 35 73.050 -12.754 -23.671 1.00 0.00 H new ATOM 0 HA GLU A 35 74.547 -14.541 -25.436 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.007 -11.539 -25.398 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.096 -12.286 -26.550 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.223 -13.819 -27.287 1.00 0.00 H new ATOM 0 HG3 GLU A 35 72.141 -13.003 -26.176 1.00 0.00 H new ATOM 560 N MET A 36 76.938 -13.743 -24.995 1.00 0.00 N ATOM 561 CA MET A 36 78.297 -13.583 -24.495 1.00 0.00 C ATOM 562 C MET A 36 78.879 -12.235 -24.905 1.00 0.00 C ATOM 563 O MET A 36 78.196 -11.402 -25.498 1.00 0.00 O ATOM 564 CB MET A 36 79.188 -14.707 -25.030 1.00 0.00 C ATOM 565 CG MET A 36 78.745 -15.084 -26.445 1.00 0.00 C ATOM 566 SD MET A 36 77.279 -16.144 -26.359 1.00 0.00 S ATOM 567 CE MET A 36 76.515 -15.599 -27.907 1.00 0.00 C ATOM 0 H MET A 36 76.873 -14.176 -25.916 1.00 0.00 H new ATOM 0 HA MET A 36 78.262 -13.628 -23.407 1.00 0.00 H new ATOM 0 HB2 MET A 36 80.230 -14.386 -25.038 1.00 0.00 H new ATOM 0 HB3 MET A 36 79.127 -15.576 -24.375 1.00 0.00 H new ATOM 0 HG2 MET A 36 78.523 -14.185 -27.019 1.00 0.00 H new ATOM 0 HG3 MET A 36 79.551 -15.602 -26.964 1.00 0.00 H new ATOM 0 HE1 MET A 36 75.837 -16.371 -28.270 1.00 0.00 H new ATOM 0 HE2 MET A 36 75.957 -14.679 -27.733 1.00 0.00 H new ATOM 0 HE3 MET A 36 77.290 -15.418 -28.652 1.00 0.00 H new ATOM 577 N SER A 37 80.153 -12.041 -24.578 1.00 0.00 N ATOM 578 CA SER A 37 80.859 -10.805 -24.897 1.00 0.00 C ATOM 579 C SER A 37 82.135 -10.723 -24.064 1.00 0.00 C ATOM 580 O SER A 37 82.497 -9.661 -23.556 1.00 0.00 O ATOM 581 CB SER A 37 79.967 -9.593 -24.606 1.00 0.00 C ATOM 582 OG SER A 37 80.779 -8.441 -24.414 1.00 0.00 O ATOM 0 H SER A 37 80.722 -12.731 -24.088 1.00 0.00 H new ATOM 0 HA SER A 37 81.114 -10.802 -25.957 1.00 0.00 H new ATOM 0 HB2 SER A 37 79.276 -9.430 -25.433 1.00 0.00 H new ATOM 0 HB3 SER A 37 79.363 -9.778 -23.717 1.00 0.00 H new ATOM 0 HG SER A 37 81.351 -8.571 -23.629 1.00 0.00 H new ATOM 588 N LEU A 38 82.807 -11.861 -23.920 1.00 0.00 N ATOM 589 CA LEU A 38 84.035 -11.918 -23.136 1.00 0.00 C ATOM 590 C LEU A 38 85.151 -12.603 -23.922 1.00 0.00 C ATOM 591 O LEU A 38 85.468 -13.770 -23.690 1.00 0.00 O ATOM 592 CB LEU A 38 83.782 -12.673 -21.829 1.00 0.00 C ATOM 593 CG LEU A 38 82.333 -12.456 -21.385 1.00 0.00 C ATOM 594 CD1 LEU A 38 81.419 -13.453 -22.101 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.225 -12.669 -19.874 1.00 0.00 C ATOM 0 H LEU A 38 82.524 -12.750 -24.333 1.00 0.00 H new ATOM 0 HA LEU A 38 84.348 -10.898 -22.912 1.00 0.00 H new ATOM 0 HB2 LEU A 38 83.975 -13.737 -21.968 1.00 0.00 H new ATOM 0 HB3 LEU A 38 84.466 -12.323 -21.056 1.00 0.00 H new ATOM 0 HG LEU A 38 82.029 -11.440 -21.636 1.00 0.00 H new ATOM 0 HD11 LEU A 38 80.389 -13.296 -21.782 1.00 0.00 H new ATOM 0 HD12 LEU A 38 81.492 -13.305 -23.178 1.00 0.00 H new ATOM 0 HD13 LEU A 38 81.724 -14.470 -21.853 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.193 -12.515 -19.558 1.00 0.00 H new ATOM 0 HD22 LEU A 38 82.532 -13.685 -19.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 82.873 -11.959 -19.359 1.00 0.00 H new ATOM 607 N PRO A 39 85.750 -11.895 -24.839 1.00 0.00 N ATOM 608 CA PRO A 39 86.861 -12.430 -25.679 1.00 0.00 C ATOM 609 C PRO A 39 87.988 -13.017 -24.831 1.00 0.00 C ATOM 610 O PRO A 39 88.191 -12.613 -23.686 1.00 0.00 O ATOM 611 CB PRO A 39 87.352 -11.211 -26.464 1.00 0.00 C ATOM 612 CG PRO A 39 86.213 -10.246 -26.460 1.00 0.00 C ATOM 613 CD PRO A 39 85.426 -10.501 -25.177 1.00 0.00 C ATOM 0 HA PRO A 39 86.529 -13.246 -26.320 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.236 -10.775 -25.999 1.00 0.00 H new ATOM 0 HB3 PRO A 39 87.629 -11.486 -27.482 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.576 -9.219 -26.494 1.00 0.00 H new ATOM 0 HG3 PRO A 39 85.581 -10.390 -27.337 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.724 -9.817 -24.382 1.00 0.00 H new ATOM 0 HD3 PRO A 39 84.355 -10.365 -25.330 1.00 0.00 H new ATOM 621 N GLY A 40 88.724 -13.967 -25.401 1.00 0.00 N ATOM 622 CA GLY A 40 89.831 -14.594 -24.687 1.00 0.00 C ATOM 623 C GLY A 40 89.620 -16.099 -24.537 1.00 0.00 C ATOM 624 O GLY A 40 89.423 -16.810 -25.522 1.00 0.00 O ATOM 0 H GLY A 40 88.576 -14.317 -26.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 90.762 -14.408 -25.222 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.933 -14.140 -23.701 1.00 0.00 H new ATOM 628 N ARG A 41 89.671 -16.576 -23.296 1.00 0.00 N ATOM 629 CA ARG A 41 89.494 -18.001 -23.027 1.00 0.00 C ATOM 630 C ARG A 41 88.247 -18.249 -22.184 1.00 0.00 C ATOM 631 O ARG A 41 87.834 -17.398 -21.396 1.00 0.00 O ATOM 632 CB ARG A 41 90.720 -18.551 -22.296 1.00 0.00 C ATOM 633 CG ARG A 41 91.942 -18.465 -23.210 1.00 0.00 C ATOM 634 CD ARG A 41 93.132 -19.149 -22.530 1.00 0.00 C ATOM 635 NE ARG A 41 94.351 -18.351 -22.678 1.00 0.00 N ATOM 636 CZ ARG A 41 94.666 -17.739 -23.818 1.00 0.00 C ATOM 637 NH1 ARG A 41 93.936 -17.908 -24.885 1.00 0.00 N ATOM 638 NH2 ARG A 41 95.729 -16.985 -23.875 1.00 0.00 N ATOM 0 H ARG A 41 89.832 -16.003 -22.467 1.00 0.00 H new ATOM 0 HA ARG A 41 89.375 -18.513 -23.982 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.896 -17.984 -21.382 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.546 -19.586 -22.000 1.00 0.00 H new ATOM 0 HG2 ARG A 41 91.730 -18.944 -24.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 92.179 -17.422 -23.422 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.916 -19.296 -21.472 1.00 0.00 H new ATOM 0 HD3 ARG A 41 93.285 -20.137 -22.964 1.00 0.00 H new ATOM 0 HE ARG A 41 94.980 -18.261 -21.880 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.116 -18.513 -24.851 1.00 0.00 H new ATOM 0 HH12 ARG A 41 94.185 -17.435 -25.754 1.00 0.00 H new ATOM 0 HH21 ARG A 41 96.315 -16.866 -23.049 1.00 0.00 H new ATOM 0 HH22 ARG A 41 95.974 -16.514 -24.746 1.00 0.00 H new ATOM 652 N TRP A 42 87.655 -19.426 -22.360 1.00 0.00 N ATOM 653 CA TRP A 42 86.454 -19.796 -21.618 1.00 0.00 C ATOM 654 C TRP A 42 86.529 -21.256 -21.177 1.00 0.00 C ATOM 655 O TRP A 42 87.336 -22.027 -21.696 1.00 0.00 O ATOM 656 CB TRP A 42 85.221 -19.582 -22.497 1.00 0.00 C ATOM 657 CG TRP A 42 85.529 -20.021 -23.893 1.00 0.00 C ATOM 658 CD1 TRP A 42 86.051 -19.228 -24.856 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.352 -21.336 -24.496 1.00 0.00 C ATOM 660 NE1 TRP A 42 86.206 -19.971 -26.012 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.789 -21.277 -25.841 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.860 -22.562 -24.013 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.741 -22.394 -26.676 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.809 -23.688 -24.852 1.00 0.00 C ATOM 665 CH2 TRP A 42 85.250 -23.604 -26.180 1.00 0.00 C ATOM 0 H TRP A 42 87.987 -20.140 -23.009 1.00 0.00 H new ATOM 0 HA TRP A 42 86.380 -19.167 -20.731 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.377 -20.148 -22.103 1.00 0.00 H new ATOM 0 HB3 TRP A 42 84.932 -18.531 -22.489 1.00 0.00 H new ATOM 0 HD1 TRP A 42 86.305 -18.185 -24.741 1.00 0.00 H new ATOM 0 HE1 TRP A 42 86.582 -19.600 -26.884 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.519 -22.638 -22.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 86.081 -22.323 -27.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 84.428 -24.624 -24.471 1.00 0.00 H new ATOM 0 HH2 TRP A 42 85.210 -24.474 -26.819 1.00 0.00 H new ATOM 676 N LYS A 43 85.686 -21.629 -20.218 1.00 0.00 N ATOM 677 CA LYS A 43 85.675 -23.000 -19.721 1.00 0.00 C ATOM 678 C LYS A 43 84.347 -23.685 -20.067 1.00 0.00 C ATOM 679 O LYS A 43 83.282 -23.171 -19.723 1.00 0.00 O ATOM 680 CB LYS A 43 85.864 -23.001 -18.203 1.00 0.00 C ATOM 681 CG LYS A 43 87.172 -22.290 -17.851 1.00 0.00 C ATOM 682 CD LYS A 43 88.277 -23.325 -17.630 1.00 0.00 C ATOM 683 CE LYS A 43 88.233 -23.821 -16.184 1.00 0.00 C ATOM 684 NZ LYS A 43 89.214 -24.930 -16.008 1.00 0.00 N ATOM 0 H LYS A 43 85.009 -21.008 -19.774 1.00 0.00 H new ATOM 0 HA LYS A 43 86.491 -23.547 -20.194 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.024 -22.500 -17.721 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.882 -24.025 -17.829 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.454 -21.608 -18.653 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.039 -21.687 -16.952 1.00 0.00 H new ATOM 0 HD2 LYS A 43 88.148 -24.162 -18.316 1.00 0.00 H new ATOM 0 HD3 LYS A 43 89.250 -22.884 -17.844 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.465 -23.004 -15.501 1.00 0.00 H new ATOM 0 HE3 LYS A 43 87.229 -24.167 -15.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 89.184 -25.267 -15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 88.973 -25.712 -16.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 90.171 -24.585 -16.227 1.00 0.00 H new ATOM 698 N PRO A 44 84.370 -24.819 -20.735 1.00 0.00 N ATOM 699 CA PRO A 44 83.118 -25.540 -21.109 1.00 0.00 C ATOM 700 C PRO A 44 82.452 -26.203 -19.905 1.00 0.00 C ATOM 701 O PRO A 44 83.122 -26.806 -19.067 1.00 0.00 O ATOM 702 CB PRO A 44 83.582 -26.584 -22.124 1.00 0.00 C ATOM 703 CG PRO A 44 85.022 -26.826 -21.820 1.00 0.00 C ATOM 704 CD PRO A 44 85.570 -25.540 -21.200 1.00 0.00 C ATOM 0 HA PRO A 44 82.363 -24.863 -21.509 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.003 -27.503 -22.034 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.452 -26.224 -23.144 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.135 -27.664 -21.133 1.00 0.00 H new ATOM 0 HG3 PRO A 44 85.570 -27.081 -22.727 1.00 0.00 H new ATOM 0 HD2 PRO A 44 86.250 -25.754 -20.375 1.00 0.00 H new ATOM 0 HD3 PRO A 44 86.129 -24.953 -21.929 1.00 0.00 H new ATOM 712 N LYS A 45 81.129 -26.092 -19.830 1.00 0.00 N ATOM 713 CA LYS A 45 80.380 -26.690 -18.730 1.00 0.00 C ATOM 714 C LYS A 45 79.076 -27.292 -19.248 1.00 0.00 C ATOM 715 O LYS A 45 78.458 -26.752 -20.167 1.00 0.00 O ATOM 716 CB LYS A 45 80.090 -25.636 -17.660 1.00 0.00 C ATOM 717 CG LYS A 45 79.591 -26.322 -16.386 1.00 0.00 C ATOM 718 CD LYS A 45 79.350 -25.271 -15.302 1.00 0.00 C ATOM 719 CE LYS A 45 79.036 -25.967 -13.977 1.00 0.00 C ATOM 720 NZ LYS A 45 78.023 -25.172 -13.225 1.00 0.00 N ATOM 0 H LYS A 45 80.556 -25.597 -20.513 1.00 0.00 H new ATOM 0 HA LYS A 45 80.978 -27.485 -18.286 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.992 -25.062 -17.447 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.342 -24.931 -18.023 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.669 -26.867 -16.591 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.324 -27.053 -16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.230 -24.638 -15.193 1.00 0.00 H new ATOM 0 HD3 LYS A 45 78.523 -24.621 -15.588 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.659 -26.973 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.945 -26.071 -13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 78.458 -24.780 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 77.677 -24.395 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.226 -25.786 -12.961 1.00 0.00 H new ATOM 734 N MET A 46 78.667 -28.415 -18.666 1.00 0.00 N ATOM 735 CA MET A 46 77.439 -29.077 -19.095 1.00 0.00 C ATOM 736 C MET A 46 76.326 -28.901 -18.062 1.00 0.00 C ATOM 737 O MET A 46 76.288 -29.604 -17.053 1.00 0.00 O ATOM 738 CB MET A 46 77.706 -30.570 -19.298 1.00 0.00 C ATOM 739 CG MET A 46 78.796 -30.756 -20.355 1.00 0.00 C ATOM 740 SD MET A 46 79.049 -32.523 -20.657 1.00 0.00 S ATOM 741 CE MET A 46 80.563 -32.369 -21.638 1.00 0.00 C ATOM 0 H MET A 46 79.161 -28.882 -17.905 1.00 0.00 H new ATOM 0 HA MET A 46 77.117 -28.622 -20.032 1.00 0.00 H new ATOM 0 HB2 MET A 46 78.015 -31.026 -18.357 1.00 0.00 H new ATOM 0 HB3 MET A 46 76.792 -31.074 -19.611 1.00 0.00 H new ATOM 0 HG2 MET A 46 78.510 -30.255 -21.280 1.00 0.00 H new ATOM 0 HG3 MET A 46 79.726 -30.297 -20.019 1.00 0.00 H new ATOM 0 HE1 MET A 46 80.904 -33.360 -21.938 1.00 0.00 H new ATOM 0 HE2 MET A 46 80.362 -31.770 -22.526 1.00 0.00 H new ATOM 0 HE3 MET A 46 81.336 -31.884 -21.041 1.00 0.00 H new ATOM 751 N ILE A 47 75.428 -27.951 -18.315 1.00 0.00 N ATOM 752 CA ILE A 47 74.326 -27.689 -17.390 1.00 0.00 C ATOM 753 C ILE A 47 73.113 -28.549 -17.730 1.00 0.00 C ATOM 754 O ILE A 47 72.897 -28.911 -18.886 1.00 0.00 O ATOM 755 CB ILE A 47 73.932 -26.209 -17.446 1.00 0.00 C ATOM 756 CG1 ILE A 47 75.146 -25.333 -17.114 1.00 0.00 C ATOM 757 CG2 ILE A 47 72.815 -25.935 -16.437 1.00 0.00 C ATOM 758 CD1 ILE A 47 75.747 -25.752 -15.769 1.00 0.00 C ATOM 0 H ILE A 47 75.440 -27.355 -19.143 1.00 0.00 H new ATOM 0 HA ILE A 47 74.663 -27.940 -16.384 1.00 0.00 H new ATOM 0 HB ILE A 47 73.581 -25.972 -18.450 1.00 0.00 H new ATOM 0 HG12 ILE A 47 75.896 -25.424 -17.900 1.00 0.00 H new ATOM 0 HG13 ILE A 47 74.849 -24.285 -17.077 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.537 -24.882 -16.479 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.948 -26.549 -16.679 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.164 -26.178 -15.433 1.00 0.00 H new ATOM 0 HD11 ILE A 47 76.608 -25.123 -15.544 1.00 0.00 H new ATOM 0 HD12 ILE A 47 74.999 -25.637 -14.985 1.00 0.00 H new ATOM 0 HD13 ILE A 47 76.062 -26.794 -15.820 1.00 0.00 H new ATOM 817 N PHE A 53 70.319 -31.553 -21.194 1.00 0.00 N ATOM 818 CA PHE A 53 71.719 -31.190 -20.983 1.00 0.00 C ATOM 819 C PHE A 53 72.280 -30.444 -22.190 1.00 0.00 C ATOM 820 O PHE A 53 72.247 -30.948 -23.313 1.00 0.00 O ATOM 821 CB PHE A 53 72.544 -32.454 -20.732 1.00 0.00 C ATOM 822 CG PHE A 53 72.040 -33.142 -19.488 1.00 0.00 C ATOM 823 CD1 PHE A 53 72.554 -32.788 -18.235 1.00 0.00 C ATOM 824 CD2 PHE A 53 71.054 -34.133 -19.585 1.00 0.00 C ATOM 825 CE1 PHE A 53 72.083 -33.424 -17.080 1.00 0.00 C ATOM 826 CE2 PHE A 53 70.584 -34.769 -18.430 1.00 0.00 C ATOM 827 CZ PHE A 53 71.098 -34.414 -17.177 1.00 0.00 C ATOM 0 HA PHE A 53 71.776 -30.532 -20.116 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.470 -33.125 -21.587 1.00 0.00 H new ATOM 0 HB3 PHE A 53 73.597 -32.198 -20.618 1.00 0.00 H new ATOM 0 HD1 PHE A 53 73.314 -32.024 -18.159 1.00 0.00 H new ATOM 0 HD2 PHE A 53 70.657 -34.406 -20.551 1.00 0.00 H new ATOM 0 HE1 PHE A 53 72.480 -33.151 -16.114 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.825 -35.534 -18.505 1.00 0.00 H new ATOM 0 HZ PHE A 53 70.735 -34.904 -16.286 1.00 0.00 H new ATOM 837 N ILE A 54 72.806 -29.244 -21.949 1.00 0.00 N ATOM 838 CA ILE A 54 73.383 -28.449 -23.027 1.00 0.00 C ATOM 839 C ILE A 54 74.756 -27.911 -22.627 1.00 0.00 C ATOM 840 O ILE A 54 75.043 -27.722 -21.443 1.00 0.00 O ATOM 841 CB ILE A 54 72.453 -27.282 -23.389 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.478 -26.214 -22.285 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.025 -27.805 -23.560 1.00 0.00 C ATOM 844 CD1 ILE A 54 72.127 -26.838 -20.931 1.00 0.00 C ATOM 0 H ILE A 54 72.844 -28.807 -21.028 1.00 0.00 H new ATOM 0 HA ILE A 54 73.500 -29.094 -23.898 1.00 0.00 H new ATOM 0 HB ILE A 54 72.797 -26.833 -24.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 73.466 -25.755 -22.236 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.769 -25.420 -22.522 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.363 -26.978 -23.817 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.003 -28.549 -24.357 1.00 0.00 H new ATOM 0 HG23 ILE A 54 70.691 -28.261 -22.628 1.00 0.00 H new ATOM 0 HD11 ILE A 54 72.149 -26.069 -20.159 1.00 0.00 H new ATOM 0 HD12 ILE A 54 71.130 -27.275 -20.979 1.00 0.00 H new ATOM 0 HD13 ILE A 54 72.852 -27.615 -20.689 1.00 0.00 H new ATOM 856 N LYS A 55 75.600 -27.671 -23.625 1.00 0.00 N ATOM 857 CA LYS A 55 76.941 -27.159 -23.371 1.00 0.00 C ATOM 858 C LYS A 55 76.936 -25.633 -23.346 1.00 0.00 C ATOM 859 O LYS A 55 76.450 -24.988 -24.274 1.00 0.00 O ATOM 860 CB LYS A 55 77.901 -27.650 -24.456 1.00 0.00 C ATOM 861 CG LYS A 55 77.985 -29.177 -24.408 1.00 0.00 C ATOM 862 CD LYS A 55 79.024 -29.665 -25.418 1.00 0.00 C ATOM 863 CE LYS A 55 79.001 -31.193 -25.479 1.00 0.00 C ATOM 864 NZ LYS A 55 80.287 -31.688 -26.043 1.00 0.00 N ATOM 0 H LYS A 55 75.381 -27.821 -24.610 1.00 0.00 H new ATOM 0 HA LYS A 55 77.272 -27.526 -22.400 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.555 -27.325 -25.437 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.889 -27.216 -24.306 1.00 0.00 H new ATOM 0 HG2 LYS A 55 78.256 -29.505 -23.405 1.00 0.00 H new ATOM 0 HG3 LYS A 55 77.011 -29.612 -24.633 1.00 0.00 H new ATOM 0 HD2 LYS A 55 78.813 -29.248 -26.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 80.016 -29.317 -25.131 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.847 -31.605 -24.482 1.00 0.00 H new ATOM 0 HE3 LYS A 55 78.168 -31.530 -26.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.271 -32.727 -26.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.416 -31.305 -27.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.074 -31.378 -25.438 1.00 0.00 H new ATOM 878 N VAL A 56 77.480 -25.065 -22.276 1.00 0.00 N ATOM 879 CA VAL A 56 77.533 -23.614 -22.132 1.00 0.00 C ATOM 880 C VAL A 56 78.943 -23.168 -21.759 1.00 0.00 C ATOM 881 O VAL A 56 79.787 -23.989 -21.398 1.00 0.00 O ATOM 882 CB VAL A 56 76.549 -23.160 -21.054 1.00 0.00 C ATOM 883 CG1 VAL A 56 75.142 -23.635 -21.414 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.960 -23.757 -19.708 1.00 0.00 C ATOM 0 H VAL A 56 77.889 -25.584 -21.499 1.00 0.00 H new ATOM 0 HA VAL A 56 77.259 -23.161 -23.085 1.00 0.00 H new ATOM 0 HB VAL A 56 76.558 -22.072 -20.988 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.441 -23.311 -20.645 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.849 -23.210 -22.374 1.00 0.00 H new ATOM 0 HG13 VAL A 56 75.131 -24.723 -21.480 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.259 -23.434 -18.938 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.951 -24.845 -19.774 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.963 -23.418 -19.451 1.00 0.00 H new ATOM 894 N ARG A 57 79.195 -21.865 -21.845 1.00 0.00 N ATOM 895 CA ARG A 57 80.514 -21.336 -21.509 1.00 0.00 C ATOM 896 C ARG A 57 80.436 -20.469 -20.258 1.00 0.00 C ATOM 897 O ARG A 57 79.485 -19.710 -20.075 1.00 0.00 O ATOM 898 CB ARG A 57 81.055 -20.501 -22.671 1.00 0.00 C ATOM 899 CG ARG A 57 81.244 -21.391 -23.901 1.00 0.00 C ATOM 900 CD ARG A 57 81.930 -20.588 -25.007 1.00 0.00 C ATOM 901 NE ARG A 57 81.195 -19.357 -25.270 1.00 0.00 N ATOM 902 CZ ARG A 57 81.751 -18.357 -25.943 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.969 -18.474 -26.398 1.00 0.00 N ATOM 904 NH2 ARG A 57 81.079 -17.258 -26.152 1.00 0.00 N ATOM 0 H ARG A 57 78.515 -21.164 -22.140 1.00 0.00 H new ATOM 0 HA ARG A 57 81.184 -22.175 -21.321 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.365 -19.689 -22.900 1.00 0.00 H new ATOM 0 HB3 ARG A 57 82.004 -20.043 -22.392 1.00 0.00 H new ATOM 0 HG2 ARG A 57 81.845 -22.263 -23.644 1.00 0.00 H new ATOM 0 HG3 ARG A 57 80.279 -21.760 -24.249 1.00 0.00 H new ATOM 0 HD2 ARG A 57 82.953 -20.353 -24.714 1.00 0.00 H new ATOM 0 HD3 ARG A 57 81.989 -21.186 -25.917 1.00 0.00 H new ATOM 0 HE ARG A 57 80.238 -19.262 -24.931 1.00 0.00 H new ATOM 0 HH11 ARG A 57 83.493 -19.334 -26.236 1.00 0.00 H new ATOM 0 HH12 ARG A 57 83.396 -17.706 -26.915 1.00 0.00 H new ATOM 0 HH21 ARG A 57 80.127 -17.167 -25.798 1.00 0.00 H new ATOM 0 HH22 ARG A 57 81.506 -16.490 -26.669 1.00 0.00 H new ATOM 918 N GLN A 58 81.435 -20.597 -19.390 1.00 0.00 N ATOM 919 CA GLN A 58 81.451 -19.823 -18.154 1.00 0.00 C ATOM 920 C GLN A 58 82.847 -19.284 -17.854 1.00 0.00 C ATOM 921 O GLN A 58 83.850 -19.840 -18.299 1.00 0.00 O ATOM 922 CB GLN A 58 80.984 -20.705 -16.992 1.00 0.00 C ATOM 923 CG GLN A 58 81.866 -21.955 -16.903 1.00 0.00 C ATOM 924 CD GLN A 58 82.033 -22.373 -15.446 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.047 -22.526 -14.726 1.00 0.00 O ATOM 926 NE2 GLN A 58 83.231 -22.569 -14.968 1.00 0.00 N ATOM 0 H GLN A 58 82.233 -21.220 -19.516 1.00 0.00 H new ATOM 0 HA GLN A 58 80.777 -18.975 -18.275 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.033 -20.147 -16.057 1.00 0.00 H new ATOM 0 HB3 GLN A 58 79.943 -20.993 -17.137 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.417 -22.768 -17.474 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.841 -21.754 -17.346 1.00 0.00 H new ATOM 0 HE21 GLN A 58 84.046 -22.441 -15.567 1.00 0.00 H new ATOM 0 HE22 GLN A 58 83.352 -22.850 -13.995 1.00 0.00 H new ATOM 935 N TYR A 59 82.900 -18.200 -17.082 1.00 0.00 N ATOM 936 CA TYR A 59 84.178 -17.598 -16.713 1.00 0.00 C ATOM 937 C TYR A 59 84.341 -17.612 -15.197 1.00 0.00 C ATOM 938 O TYR A 59 83.456 -17.168 -14.466 1.00 0.00 O ATOM 939 CB TYR A 59 84.239 -16.163 -17.236 1.00 0.00 C ATOM 940 CG TYR A 59 84.119 -16.179 -18.741 1.00 0.00 C ATOM 941 CD1 TYR A 59 82.864 -16.337 -19.340 1.00 0.00 C ATOM 942 CD2 TYR A 59 85.264 -16.047 -19.538 1.00 0.00 C ATOM 943 CE1 TYR A 59 82.752 -16.362 -20.734 1.00 0.00 C ATOM 944 CE2 TYR A 59 85.151 -16.073 -20.933 1.00 0.00 C ATOM 945 CZ TYR A 59 83.894 -16.230 -21.532 1.00 0.00 C ATOM 946 OH TYR A 59 83.783 -16.256 -22.907 1.00 0.00 O ATOM 0 H TYR A 59 82.081 -17.725 -16.703 1.00 0.00 H new ATOM 0 HA TYR A 59 84.989 -18.174 -17.158 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.434 -15.570 -16.801 1.00 0.00 H new ATOM 0 HB3 TYR A 59 85.177 -15.694 -16.939 1.00 0.00 H new ATOM 0 HD1 TYR A 59 81.982 -16.440 -18.726 1.00 0.00 H new ATOM 0 HD2 TYR A 59 86.233 -15.925 -19.076 1.00 0.00 H new ATOM 0 HE1 TYR A 59 81.783 -16.483 -21.195 1.00 0.00 H new ATOM 0 HE2 TYR A 59 86.033 -15.972 -21.548 1.00 0.00 H new ATOM 0 HH TYR A 59 84.268 -15.495 -23.289 1.00 0.00 H new ATOM 956 N ASP A 60 85.468 -18.139 -14.726 1.00 0.00 N ATOM 957 CA ASP A 60 85.715 -18.220 -13.289 1.00 0.00 C ATOM 958 C ASP A 60 86.631 -17.095 -12.809 1.00 0.00 C ATOM 959 O ASP A 60 86.996 -17.052 -11.633 1.00 0.00 O ATOM 960 CB ASP A 60 86.351 -19.568 -12.949 1.00 0.00 C ATOM 961 CG ASP A 60 85.348 -20.694 -13.180 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.185 -20.390 -13.391 1.00 0.00 O ATOM 963 OD2 ASP A 60 85.757 -21.842 -13.144 1.00 0.00 O ATOM 0 H ASP A 60 86.216 -18.512 -15.310 1.00 0.00 H new ATOM 0 HA ASP A 60 84.756 -18.118 -12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.236 -19.727 -13.565 1.00 0.00 H new ATOM 0 HB3 ASP A 60 86.681 -19.572 -11.910 1.00 0.00 H new ATOM 968 N GLN A 61 87.004 -16.186 -13.705 1.00 0.00 N ATOM 969 CA GLN A 61 87.878 -15.082 -13.319 1.00 0.00 C ATOM 970 C GLN A 61 87.650 -13.868 -14.217 1.00 0.00 C ATOM 971 O GLN A 61 88.543 -13.455 -14.956 1.00 0.00 O ATOM 972 CB GLN A 61 89.343 -15.519 -13.415 1.00 0.00 C ATOM 973 CG GLN A 61 90.243 -14.448 -12.791 1.00 0.00 C ATOM 974 CD GLN A 61 90.106 -14.471 -11.274 1.00 0.00 C ATOM 975 OE1 GLN A 61 90.236 -15.526 -10.653 1.00 0.00 O ATOM 976 NE2 GLN A 61 89.850 -13.363 -10.634 1.00 0.00 N ATOM 0 H GLN A 61 86.722 -16.190 -14.685 1.00 0.00 H new ATOM 0 HA GLN A 61 87.644 -14.805 -12.291 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.483 -16.470 -12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 61 89.618 -15.676 -14.458 1.00 0.00 H new ATOM 0 HG2 GLN A 61 91.281 -14.624 -13.073 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.971 -13.464 -13.174 1.00 0.00 H new ATOM 0 HE21 GLN A 61 89.743 -12.489 -11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 61 89.757 -13.370 -9.618 1.00 0.00 H new ATOM 985 N ILE A 62 86.447 -13.308 -14.157 1.00 0.00 N ATOM 986 CA ILE A 62 86.117 -12.150 -14.979 1.00 0.00 C ATOM 987 C ILE A 62 85.698 -10.973 -14.100 1.00 0.00 C ATOM 988 O ILE A 62 85.210 -11.162 -12.984 1.00 0.00 O ATOM 989 CB ILE A 62 84.982 -12.509 -15.941 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.919 -11.480 -17.075 1.00 0.00 C ATOM 991 CG2 ILE A 62 83.656 -12.509 -15.180 1.00 0.00 C ATOM 992 CD1 ILE A 62 85.984 -11.804 -18.125 1.00 0.00 C ATOM 0 H ILE A 62 85.691 -13.633 -13.554 1.00 0.00 H new ATOM 0 HA ILE A 62 87.000 -11.861 -15.550 1.00 0.00 H new ATOM 0 HB ILE A 62 85.164 -13.498 -16.363 1.00 0.00 H new ATOM 0 HG12 ILE A 62 83.929 -11.488 -17.532 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.079 -10.477 -16.679 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.845 -12.764 -15.862 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.698 -13.243 -14.375 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.478 -11.519 -14.759 1.00 0.00 H new ATOM 0 HD11 ILE A 62 85.936 -11.070 -18.930 1.00 0.00 H new ATOM 0 HD12 ILE A 62 86.971 -11.773 -17.664 1.00 0.00 H new ATOM 0 HD13 ILE A 62 85.804 -12.800 -18.530 1.00 0.00 H new ATOM 1004 N ILE A 63 85.900 -9.761 -14.610 1.00 0.00 N ATOM 1005 CA ILE A 63 85.549 -8.556 -13.864 1.00 0.00 C ATOM 1006 C ILE A 63 84.360 -7.858 -14.516 1.00 0.00 C ATOM 1007 O ILE A 63 84.314 -7.696 -15.736 1.00 0.00 O ATOM 1008 CB ILE A 63 86.748 -7.609 -13.832 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.447 -6.423 -12.914 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.027 -7.095 -15.245 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.760 -5.745 -12.516 1.00 0.00 C ATOM 0 H ILE A 63 86.302 -9.588 -15.531 1.00 0.00 H new ATOM 0 HA ILE A 63 85.277 -8.836 -12.846 1.00 0.00 H new ATOM 0 HB ILE A 63 87.619 -8.145 -13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 63 85.796 -5.711 -13.422 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.916 -6.762 -12.025 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.882 -6.419 -15.224 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.246 -7.937 -15.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 86.152 -6.562 -15.618 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.549 -4.899 -11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 63 88.394 -6.460 -11.992 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.273 -5.392 -13.411 1.00 0.00 H new ATOM 1023 N ILE A 64 83.395 -7.452 -13.695 1.00 0.00 N ATOM 1024 CA ILE A 64 82.204 -6.779 -14.201 1.00 0.00 C ATOM 1025 C ILE A 64 82.020 -5.418 -13.538 1.00 0.00 C ATOM 1026 O ILE A 64 82.284 -5.255 -12.347 1.00 0.00 O ATOM 1027 CB ILE A 64 80.973 -7.648 -13.939 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.157 -9.003 -14.626 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.727 -6.955 -14.499 1.00 0.00 C ATOM 1030 CD1 ILE A 64 80.017 -9.941 -14.224 1.00 0.00 C ATOM 0 H ILE A 64 83.414 -7.577 -12.683 1.00 0.00 H new ATOM 0 HA ILE A 64 82.327 -6.625 -15.273 1.00 0.00 H new ATOM 0 HB ILE A 64 80.851 -7.795 -12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.171 -8.874 -15.708 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.116 -9.438 -14.344 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.851 -7.575 -14.312 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.598 -5.988 -14.012 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.844 -6.807 -15.573 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.149 -10.906 -14.714 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.024 -10.079 -13.143 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.064 -9.507 -14.528 1.00 0.00 H new ATOM 1042 N GLU A 65 81.547 -4.446 -14.314 1.00 0.00 N ATOM 1043 CA GLU A 65 81.312 -3.109 -13.783 1.00 0.00 C ATOM 1044 C GLU A 65 79.813 -2.876 -13.615 1.00 0.00 C ATOM 1045 O GLU A 65 79.040 -3.070 -14.553 1.00 0.00 O ATOM 1046 CB GLU A 65 81.896 -2.055 -14.724 1.00 0.00 C ATOM 1047 CG GLU A 65 81.762 -0.670 -14.087 1.00 0.00 C ATOM 1048 CD GLU A 65 82.245 0.401 -15.058 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.637 0.044 -16.157 1.00 0.00 O ATOM 1050 OE2 GLU A 65 82.216 1.564 -14.690 1.00 0.00 O ATOM 0 H GLU A 65 81.321 -4.558 -15.302 1.00 0.00 H new ATOM 0 HA GLU A 65 81.802 -3.025 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 65 82.944 -2.274 -14.926 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.375 -2.078 -15.681 1.00 0.00 H new ATOM 0 HG2 GLU A 65 80.723 -0.485 -13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 65 82.344 -0.627 -13.166 1.00 0.00 H new ATOM 1057 N ILE A 66 79.406 -2.465 -12.418 1.00 0.00 N ATOM 1058 CA ILE A 66 77.991 -2.220 -12.151 1.00 0.00 C ATOM 1059 C ILE A 66 77.772 -0.817 -11.594 1.00 0.00 C ATOM 1060 O ILE A 66 78.302 -0.470 -10.539 1.00 0.00 O ATOM 1061 CB ILE A 66 77.473 -3.252 -11.146 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.727 -4.661 -11.687 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.971 -3.049 -10.937 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.371 -5.696 -10.617 1.00 0.00 C ATOM 0 H ILE A 66 80.026 -2.296 -11.626 1.00 0.00 H new ATOM 0 HA ILE A 66 77.446 -2.307 -13.091 1.00 0.00 H new ATOM 0 HB ILE A 66 77.992 -3.128 -10.196 1.00 0.00 H new ATOM 0 HG12 ILE A 66 77.130 -4.830 -12.583 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.773 -4.767 -11.976 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.601 -3.783 -10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.789 -2.045 -10.553 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.451 -3.174 -11.887 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.553 -6.698 -11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.987 -5.532 -9.733 1.00 0.00 H new ATOM 0 HD13 ILE A 66 76.319 -5.596 -10.350 1.00 0.00 H new ATOM 1076 N ALA A 67 76.979 -0.015 -12.303 1.00 0.00 N ATOM 1077 CA ALA A 67 76.689 1.346 -11.864 1.00 0.00 C ATOM 1078 C ALA A 67 77.964 2.183 -11.806 1.00 0.00 C ATOM 1079 O ALA A 67 78.083 3.200 -12.491 1.00 0.00 O ATOM 1080 CB ALA A 67 76.032 1.318 -10.483 1.00 0.00 C ATOM 0 H ALA A 67 76.529 -0.283 -13.178 1.00 0.00 H new ATOM 0 HA ALA A 67 76.008 1.799 -12.585 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.818 2.337 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.103 0.751 -10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.707 0.846 -9.769 1.00 0.00 H new ATOM 1086 N GLY A 68 78.917 1.747 -10.990 1.00 0.00 N ATOM 1087 CA GLY A 68 80.180 2.465 -10.857 1.00 0.00 C ATOM 1088 C GLY A 68 81.153 1.734 -9.935 1.00 0.00 C ATOM 1089 O GLY A 68 82.139 2.315 -9.480 1.00 0.00 O ATOM 0 H GLY A 68 78.841 0.908 -10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.634 2.588 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.990 3.465 -10.466 1.00 0.00 H new ATOM 1093 N HIS A 69 80.882 0.459 -9.663 1.00 0.00 N ATOM 1094 CA HIS A 69 81.752 -0.325 -8.796 1.00 0.00 C ATOM 1095 C HIS A 69 82.242 -1.571 -9.526 1.00 0.00 C ATOM 1096 O HIS A 69 81.482 -2.218 -10.247 1.00 0.00 O ATOM 1097 CB HIS A 69 80.995 -0.732 -7.531 1.00 0.00 C ATOM 1098 CG HIS A 69 80.542 0.502 -6.800 1.00 0.00 C ATOM 1099 ND1 HIS A 69 81.409 1.271 -6.038 1.00 0.00 N ATOM 1100 CD2 HIS A 69 79.317 1.118 -6.709 1.00 0.00 C ATOM 1101 CE1 HIS A 69 80.700 2.295 -5.527 1.00 0.00 C ATOM 1102 NE2 HIS A 69 79.420 2.249 -5.906 1.00 0.00 N ATOM 0 H HIS A 69 80.075 -0.047 -10.027 1.00 0.00 H new ATOM 0 HA HIS A 69 82.613 0.284 -8.521 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.136 -1.350 -7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 69 81.637 -1.334 -6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 69 78.412 0.776 -7.188 1.00 0.00 H new ATOM 0 HE1 HIS A 69 81.116 3.060 -4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 69 78.677 2.903 -5.659 1.00 0.00 H new ATOM 1111 N LYS A 70 83.516 -1.896 -9.343 1.00 0.00 N ATOM 1112 CA LYS A 70 84.097 -3.062 -9.996 1.00 0.00 C ATOM 1113 C LYS A 70 84.097 -4.267 -9.061 1.00 0.00 C ATOM 1114 O LYS A 70 84.364 -4.140 -7.866 1.00 0.00 O ATOM 1115 CB LYS A 70 85.532 -2.752 -10.427 1.00 0.00 C ATOM 1116 CG LYS A 70 85.524 -1.599 -11.431 1.00 0.00 C ATOM 1117 CD LYS A 70 86.930 -1.414 -12.005 1.00 0.00 C ATOM 1118 CE LYS A 70 87.890 -1.009 -10.886 1.00 0.00 C ATOM 1119 NZ LYS A 70 89.029 -0.237 -11.461 1.00 0.00 N ATOM 0 H LYS A 70 84.162 -1.373 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 70 83.492 -3.301 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.135 -2.488 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.988 -3.635 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.816 -1.806 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.194 -0.681 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.268 -2.339 -12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 70 86.919 -0.651 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.366 -0.406 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 88.261 -1.896 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 89.682 0.038 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.534 -0.827 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.667 0.617 -11.932 1.00 0.00 H new ATOM 1133 N ALA A 71 83.803 -5.437 -9.619 1.00 0.00 N ATOM 1134 CA ALA A 71 83.778 -6.666 -8.832 1.00 0.00 C ATOM 1135 C ALA A 71 84.183 -7.854 -9.697 1.00 0.00 C ATOM 1136 O ALA A 71 83.929 -7.870 -10.902 1.00 0.00 O ATOM 1137 CB ALA A 71 82.375 -6.896 -8.267 1.00 0.00 C ATOM 0 H ALA A 71 83.580 -5.561 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 71 84.486 -6.568 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.365 -7.815 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 71 82.097 -6.056 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.662 -6.981 -9.087 1.00 0.00 H new ATOM 1143 N ILE A 72 84.815 -8.847 -9.079 1.00 0.00 N ATOM 1144 CA ILE A 72 85.248 -10.031 -9.814 1.00 0.00 C ATOM 1145 C ILE A 72 84.609 -11.290 -9.238 1.00 0.00 C ATOM 1146 O ILE A 72 84.635 -11.512 -8.028 1.00 0.00 O ATOM 1147 CB ILE A 72 86.770 -10.159 -9.746 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.412 -8.877 -10.281 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.224 -11.348 -10.596 1.00 0.00 C ATOM 1150 CD1 ILE A 72 88.932 -8.960 -10.119 1.00 0.00 C ATOM 0 H ILE A 72 85.037 -8.857 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 72 84.934 -9.921 -10.852 1.00 0.00 H new ATOM 0 HB ILE A 72 87.074 -10.317 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.155 -8.740 -11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.025 -8.012 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.309 -11.438 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 72 86.767 -12.262 -10.217 1.00 0.00 H new ATOM 0 HG23 ILE A 72 86.920 -11.192 -11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.389 -8.047 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.180 -9.077 -9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.311 -9.816 -10.677 1.00 0.00 H new ATOM 1162 N GLY A 73 84.041 -12.114 -10.112 1.00 0.00 N ATOM 1163 CA GLY A 73 83.405 -13.349 -9.671 1.00 0.00 C ATOM 1164 C GLY A 73 83.072 -14.251 -10.854 1.00 0.00 C ATOM 1165 O GLY A 73 83.271 -13.876 -12.009 1.00 0.00 O ATOM 0 H GLY A 73 84.008 -11.952 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.066 -13.876 -8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 73 82.494 -13.115 -9.121 1.00 0.00 H new ATOM 1169 N THR A 74 82.568 -15.444 -10.555 1.00 0.00 N ATOM 1170 CA THR A 74 82.214 -16.397 -11.601 1.00 0.00 C ATOM 1171 C THR A 74 80.891 -16.011 -12.254 1.00 0.00 C ATOM 1172 O THR A 74 79.914 -15.715 -11.567 1.00 0.00 O ATOM 1173 CB THR A 74 82.101 -17.802 -11.003 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.321 -18.143 -10.360 1.00 0.00 O ATOM 1175 CG2 THR A 74 81.805 -18.812 -12.113 1.00 0.00 C ATOM 0 H THR A 74 82.396 -15.772 -9.605 1.00 0.00 H new ATOM 0 HA THR A 74 82.995 -16.385 -12.361 1.00 0.00 H new ATOM 0 HB THR A 74 81.290 -17.821 -10.275 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.248 -19.042 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 74 81.725 -19.811 -11.684 1.00 0.00 H new ATOM 0 HG22 THR A 74 80.866 -18.551 -12.602 1.00 0.00 H new ATOM 0 HG23 THR A 74 82.612 -18.795 -12.845 1.00 0.00 H new ATOM 1183 N VAL A 75 80.863 -16.022 -13.585 1.00 0.00 N ATOM 1184 CA VAL A 75 79.645 -15.676 -14.311 1.00 0.00 C ATOM 1185 C VAL A 75 79.408 -16.633 -15.474 1.00 0.00 C ATOM 1186 O VAL A 75 80.067 -16.544 -16.513 1.00 0.00 O ATOM 1187 CB VAL A 75 79.743 -14.247 -14.846 1.00 0.00 C ATOM 1188 CG1 VAL A 75 78.502 -13.934 -15.686 1.00 0.00 C ATOM 1189 CG2 VAL A 75 79.826 -13.265 -13.676 1.00 0.00 C ATOM 0 H VAL A 75 81.659 -16.263 -14.176 1.00 0.00 H new ATOM 0 HA VAL A 75 78.808 -15.755 -13.618 1.00 0.00 H new ATOM 0 HB VAL A 75 80.637 -14.151 -15.463 1.00 0.00 H new ATOM 0 HG11 VAL A 75 78.569 -12.916 -16.069 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.442 -14.632 -16.521 1.00 0.00 H new ATOM 0 HG13 VAL A 75 77.610 -14.031 -15.067 1.00 0.00 H new ATOM 0 HG21 VAL A 75 79.896 -12.247 -14.060 1.00 0.00 H new ATOM 0 HG22 VAL A 75 78.933 -13.359 -13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 75 80.708 -13.488 -13.076 1.00 0.00 H new ATOM 1199 N LEU A 76 78.482 -17.565 -15.280 1.00 0.00 N ATOM 1200 CA LEU A 76 78.180 -18.553 -16.308 1.00 0.00 C ATOM 1201 C LEU A 76 77.398 -17.929 -17.461 1.00 0.00 C ATOM 1202 O LEU A 76 76.430 -17.194 -17.252 1.00 0.00 O ATOM 1203 CB LEU A 76 77.363 -19.698 -15.702 1.00 0.00 C ATOM 1204 CG LEU A 76 78.133 -20.315 -14.531 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.556 -19.807 -13.207 1.00 0.00 C ATOM 1206 CD2 LEU A 76 78.007 -21.839 -14.586 1.00 0.00 C ATOM 0 H LEU A 76 77.931 -17.657 -14.427 1.00 0.00 H new ATOM 0 HA LEU A 76 79.124 -18.935 -16.697 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.397 -19.327 -15.360 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.164 -20.456 -16.459 1.00 0.00 H new ATOM 0 HG LEU A 76 79.183 -20.030 -14.601 1.00 0.00 H new ATOM 0 HD11 LEU A 76 78.107 -20.249 -12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.644 -18.721 -13.164 1.00 0.00 H new ATOM 0 HD13 LEU A 76 76.505 -20.089 -13.136 1.00 0.00 H new ATOM 0 HD21 LEU A 76 78.555 -22.280 -13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.956 -22.120 -14.518 1.00 0.00 H new ATOM 0 HD23 LEU A 76 78.420 -22.205 -15.526 1.00 0.00 H new ATOM 1218 N VAL A 77 77.831 -18.231 -18.680 1.00 0.00 N ATOM 1219 CA VAL A 77 77.170 -17.698 -19.865 1.00 0.00 C ATOM 1220 C VAL A 77 76.446 -18.805 -20.618 1.00 0.00 C ATOM 1221 O VAL A 77 77.025 -19.848 -20.924 1.00 0.00 O ATOM 1222 CB VAL A 77 78.192 -17.038 -20.789 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.466 -16.381 -21.963 1.00 0.00 C ATOM 1224 CG2 VAL A 77 78.969 -15.974 -20.011 1.00 0.00 C ATOM 0 H VAL A 77 78.629 -18.836 -18.873 1.00 0.00 H new ATOM 0 HA VAL A 77 76.442 -16.954 -19.542 1.00 0.00 H new ATOM 0 HB VAL A 77 78.884 -17.792 -21.165 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.194 -15.910 -22.623 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.911 -17.138 -22.517 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.775 -15.626 -21.587 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.699 -15.502 -20.669 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.277 -15.220 -19.636 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.485 -16.441 -19.172 1.00 0.00 H new ATOM 1234 N GLY A 78 75.176 -18.562 -20.917 1.00 0.00 N ATOM 1235 CA GLY A 78 74.366 -19.533 -21.638 1.00 0.00 C ATOM 1236 C GLY A 78 73.237 -18.835 -22.390 1.00 0.00 C ATOM 1237 O GLY A 78 72.995 -17.642 -22.200 1.00 0.00 O ATOM 0 H GLY A 78 74.686 -17.702 -20.671 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.990 -20.086 -22.340 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.951 -20.259 -20.939 1.00 0.00 H new ATOM 1241 N PRO A 79 72.556 -19.551 -23.238 1.00 0.00 N ATOM 1242 CA PRO A 79 71.431 -18.998 -24.049 1.00 0.00 C ATOM 1243 C PRO A 79 70.188 -18.691 -23.212 1.00 0.00 C ATOM 1244 O PRO A 79 69.084 -18.586 -23.747 1.00 0.00 O ATOM 1245 CB PRO A 79 71.142 -20.100 -25.068 1.00 0.00 C ATOM 1246 CG PRO A 79 71.626 -21.363 -24.434 1.00 0.00 C ATOM 1247 CD PRO A 79 72.786 -20.976 -23.517 1.00 0.00 C ATOM 0 HA PRO A 79 71.697 -18.043 -24.503 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.077 -20.157 -25.294 1.00 0.00 H new ATOM 0 HB3 PRO A 79 71.658 -19.910 -26.009 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.828 -21.842 -23.867 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.952 -22.076 -25.191 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.786 -21.567 -22.601 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.749 -21.138 -24.001 1.00 0.00 H new ATOM 1255 N THR A 80 70.371 -18.548 -21.903 1.00 0.00 N ATOM 1256 CA THR A 80 69.251 -18.252 -21.017 1.00 0.00 C ATOM 1257 C THR A 80 68.679 -16.872 -21.335 1.00 0.00 C ATOM 1258 O THR A 80 69.390 -15.998 -21.828 1.00 0.00 O ATOM 1259 CB THR A 80 69.711 -18.297 -19.557 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.957 -17.364 -18.796 1.00 0.00 O ATOM 1261 CG2 THR A 80 71.195 -17.941 -19.476 1.00 0.00 C ATOM 0 H THR A 80 71.274 -18.631 -21.436 1.00 0.00 H new ATOM 0 HA THR A 80 68.475 -19.002 -21.171 1.00 0.00 H new ATOM 0 HB THR A 80 69.558 -19.300 -19.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 69.249 -17.393 -17.861 1.00 0.00 H new ATOM 0 HG21 THR A 80 71.521 -17.973 -18.436 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.773 -18.657 -20.060 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.351 -16.938 -19.874 1.00 0.00 H new ATOM 1269 N PRO A 81 67.417 -16.661 -21.070 1.00 0.00 N ATOM 1270 CA PRO A 81 66.749 -15.355 -21.347 1.00 0.00 C ATOM 1271 C PRO A 81 67.453 -14.183 -20.667 1.00 0.00 C ATOM 1272 O PRO A 81 67.895 -14.286 -19.524 1.00 0.00 O ATOM 1273 CB PRO A 81 65.326 -15.528 -20.800 1.00 0.00 C ATOM 1274 CG PRO A 81 65.345 -16.767 -19.963 1.00 0.00 C ATOM 1275 CD PRO A 81 66.490 -17.632 -20.479 1.00 0.00 C ATOM 0 HA PRO A 81 66.769 -15.118 -22.411 1.00 0.00 H new ATOM 0 HB2 PRO A 81 65.030 -14.663 -20.207 1.00 0.00 H new ATOM 0 HB3 PRO A 81 64.606 -15.619 -21.613 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.491 -16.520 -18.911 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.396 -17.298 -20.037 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.960 -18.196 -19.674 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.144 -18.356 -21.216 1.00 0.00 H new ATOM 1283 N VAL A 82 67.540 -13.066 -21.387 1.00 0.00 N ATOM 1284 CA VAL A 82 68.177 -11.858 -20.866 1.00 0.00 C ATOM 1285 C VAL A 82 69.285 -12.189 -19.869 1.00 0.00 C ATOM 1286 O VAL A 82 69.934 -13.231 -19.960 1.00 0.00 O ATOM 1287 CB VAL A 82 67.131 -10.973 -20.188 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.434 -9.505 -20.491 1.00 0.00 C ATOM 1289 CG2 VAL A 82 65.743 -11.326 -20.726 1.00 0.00 C ATOM 0 H VAL A 82 67.176 -12.972 -22.335 1.00 0.00 H new ATOM 0 HA VAL A 82 68.625 -11.330 -21.708 1.00 0.00 H new ATOM 0 HB VAL A 82 67.158 -11.136 -19.111 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.689 -8.873 -20.008 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.425 -9.252 -20.113 1.00 0.00 H new ATOM 0 HG13 VAL A 82 67.405 -9.342 -21.568 1.00 0.00 H new ATOM 0 HG21 VAL A 82 64.995 -10.696 -20.244 1.00 0.00 H new ATOM 0 HG22 VAL A 82 65.717 -11.160 -21.803 1.00 0.00 H new ATOM 0 HG23 VAL A 82 65.526 -12.373 -20.515 1.00 0.00 H new ATOM 1299 N ASN A 83 69.492 -11.284 -18.918 1.00 0.00 N ATOM 1300 CA ASN A 83 70.521 -11.477 -17.899 1.00 0.00 C ATOM 1301 C ASN A 83 69.922 -11.354 -16.502 1.00 0.00 C ATOM 1302 O ASN A 83 69.098 -10.476 -16.245 1.00 0.00 O ATOM 1303 CB ASN A 83 71.643 -10.446 -18.069 1.00 0.00 C ATOM 1304 CG ASN A 83 72.270 -10.586 -19.452 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.160 -11.640 -20.080 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.920 -9.580 -19.969 1.00 0.00 N ATOM 0 H ASN A 83 68.966 -10.415 -18.830 1.00 0.00 H new ATOM 0 HA ASN A 83 70.934 -12.478 -18.021 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.246 -9.439 -17.940 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.402 -10.591 -17.300 1.00 0.00 H new ATOM 0 HD21 ASN A 83 73.339 -9.665 -20.895 1.00 0.00 H new ATOM 0 HD22 ASN A 83 73.010 -8.708 -19.447 1.00 0.00 H new ATOM 1313 N ILE A 84 70.346 -12.234 -15.604 1.00 0.00 N ATOM 1314 CA ILE A 84 69.851 -12.213 -14.232 1.00 0.00 C ATOM 1315 C ILE A 84 71.019 -12.188 -13.251 1.00 0.00 C ATOM 1316 O ILE A 84 72.017 -12.879 -13.445 1.00 0.00 O ATOM 1317 CB ILE A 84 68.978 -13.442 -13.969 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.453 -13.398 -12.533 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.806 -14.713 -14.169 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.294 -14.383 -12.383 1.00 0.00 C ATOM 0 H ILE A 84 71.028 -12.968 -15.798 1.00 0.00 H new ATOM 0 HA ILE A 84 69.251 -11.314 -14.091 1.00 0.00 H new ATOM 0 HB ILE A 84 68.138 -13.443 -14.664 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.251 -13.650 -11.835 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.121 -12.389 -12.287 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.182 -15.587 -13.981 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.179 -14.747 -15.193 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.647 -14.712 -13.476 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.920 -14.352 -11.360 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.493 -14.110 -13.071 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.641 -15.391 -12.612 1.00 0.00 H new ATOM 1332 N ILE A 85 70.890 -11.389 -12.196 1.00 0.00 N ATOM 1333 CA ILE A 85 71.948 -11.290 -11.197 1.00 0.00 C ATOM 1334 C ILE A 85 71.485 -11.863 -9.864 1.00 0.00 C ATOM 1335 O ILE A 85 70.399 -11.543 -9.382 1.00 0.00 O ATOM 1336 CB ILE A 85 72.361 -9.830 -11.013 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.799 -9.253 -12.359 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.526 -9.751 -10.025 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.105 -7.762 -12.201 1.00 0.00 C ATOM 0 H ILE A 85 70.073 -10.807 -12.012 1.00 0.00 H new ATOM 0 HA ILE A 85 72.804 -11.866 -11.547 1.00 0.00 H new ATOM 0 HB ILE A 85 71.516 -9.259 -10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.682 -9.780 -12.722 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.014 -9.397 -13.101 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.821 -8.710 -9.893 1.00 0.00 H new ATOM 0 HG22 ILE A 85 73.218 -10.165 -9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 85 74.370 -10.321 -10.412 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.417 -7.351 -13.161 1.00 0.00 H new ATOM 0 HD12 ILE A 85 72.211 -7.242 -11.857 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.905 -7.630 -11.472 1.00 0.00 H new ATOM 1351 N GLY A 86 72.318 -12.714 -9.274 1.00 0.00 N ATOM 1352 CA GLY A 86 71.985 -13.332 -7.997 1.00 0.00 C ATOM 1353 C GLY A 86 72.495 -12.497 -6.826 1.00 0.00 C ATOM 1354 O GLY A 86 73.096 -11.439 -7.015 1.00 0.00 O ATOM 0 H GLY A 86 73.222 -12.990 -9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.904 -13.450 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.419 -14.331 -7.950 1.00 0.00 H new ATOM 1358 N ARG A 87 72.245 -12.986 -5.615 1.00 0.00 N ATOM 1359 CA ARG A 87 72.670 -12.296 -4.401 1.00 0.00 C ATOM 1360 C ARG A 87 74.191 -12.174 -4.334 1.00 0.00 C ATOM 1361 O ARG A 87 74.723 -11.364 -3.576 1.00 0.00 O ATOM 1362 CB ARG A 87 72.179 -13.061 -3.170 1.00 0.00 C ATOM 1363 CG ARG A 87 70.649 -13.064 -3.137 1.00 0.00 C ATOM 1364 CD ARG A 87 70.172 -13.783 -1.875 1.00 0.00 C ATOM 1365 NE ARG A 87 68.724 -13.942 -1.898 1.00 0.00 N ATOM 1366 CZ ARG A 87 68.112 -14.802 -1.090 1.00 0.00 C ATOM 1367 NH1 ARG A 87 68.810 -15.530 -0.263 1.00 0.00 N ATOM 1368 NH2 ARG A 87 66.812 -14.922 -1.125 1.00 0.00 N ATOM 0 H ARG A 87 71.748 -13.861 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 87 72.240 -11.295 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.553 -14.084 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.570 -12.599 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.272 -12.042 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 87 70.256 -13.562 -4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.650 -14.760 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.468 -13.217 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 87 68.169 -13.383 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 87 69.826 -15.439 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.340 -16.190 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 87 66.265 -14.355 -1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 87 66.344 -15.582 -0.504 1.00 0.00 H new ATOM 1382 N ASN A 88 74.887 -12.992 -5.116 1.00 0.00 N ATOM 1383 CA ASN A 88 76.348 -12.973 -5.117 1.00 0.00 C ATOM 1384 C ASN A 88 76.890 -11.579 -5.427 1.00 0.00 C ATOM 1385 O ASN A 88 77.781 -11.085 -4.735 1.00 0.00 O ATOM 1386 CB ASN A 88 76.874 -13.967 -6.156 1.00 0.00 C ATOM 1387 CG ASN A 88 78.396 -14.051 -6.086 1.00 0.00 C ATOM 1388 OD1 ASN A 88 79.089 -13.476 -6.925 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.961 -14.740 -5.132 1.00 0.00 N ATOM 0 H ASN A 88 74.469 -13.671 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 88 76.689 -13.256 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.440 -14.951 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.566 -13.657 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.978 -14.802 -5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.386 -15.216 -4.437 1.00 0.00 H new ATOM 1396 N LEU A 89 76.362 -10.951 -6.473 1.00 0.00 N ATOM 1397 CA LEU A 89 76.819 -9.618 -6.858 1.00 0.00 C ATOM 1398 C LEU A 89 75.972 -8.527 -6.209 1.00 0.00 C ATOM 1399 O LEU A 89 76.499 -7.515 -5.744 1.00 0.00 O ATOM 1400 CB LEU A 89 76.771 -9.471 -8.381 1.00 0.00 C ATOM 1401 CG LEU A 89 77.688 -10.515 -9.029 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.627 -10.376 -10.551 1.00 0.00 C ATOM 1403 CD2 LEU A 89 79.128 -10.294 -8.561 1.00 0.00 C ATOM 0 H LEU A 89 75.626 -11.337 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 89 77.845 -9.502 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.749 -9.600 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 89 77.085 -8.468 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 89 77.358 -11.512 -8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.279 -11.119 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 89 76.603 -10.533 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.955 -9.377 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 89 79.779 -11.037 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 89 79.455 -9.295 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 89 79.177 -10.392 -7.477 1.00 0.00 H new ATOM 1415 N LEU A 90 74.658 -8.726 -6.198 1.00 0.00 N ATOM 1416 CA LEU A 90 73.748 -7.738 -5.623 1.00 0.00 C ATOM 1417 C LEU A 90 74.148 -7.380 -4.196 1.00 0.00 C ATOM 1418 O LEU A 90 74.090 -6.217 -3.803 1.00 0.00 O ATOM 1419 CB LEU A 90 72.314 -8.278 -5.631 1.00 0.00 C ATOM 1420 CG LEU A 90 71.341 -7.183 -5.181 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.063 -7.264 -6.017 1.00 0.00 C ATOM 1422 CD2 LEU A 90 70.986 -7.381 -3.704 1.00 0.00 C ATOM 0 H LEU A 90 74.201 -9.555 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 90 73.806 -6.837 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.051 -8.621 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.237 -9.140 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 90 71.811 -6.209 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.370 -6.486 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.307 -7.123 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.600 -8.241 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.294 -6.600 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.518 -8.356 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 90 71.893 -7.327 -3.102 1.00 0.00 H new ATOM 1434 N THR A 91 74.546 -8.381 -3.420 1.00 0.00 N ATOM 1435 CA THR A 91 74.944 -8.137 -2.039 1.00 0.00 C ATOM 1436 C THR A 91 76.355 -7.557 -1.972 1.00 0.00 C ATOM 1437 O THR A 91 76.691 -6.829 -1.038 1.00 0.00 O ATOM 1438 CB THR A 91 74.884 -9.439 -1.236 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.833 -10.360 -1.754 1.00 0.00 O ATOM 1440 CG2 THR A 91 73.478 -10.037 -1.336 1.00 0.00 C ATOM 0 H THR A 91 74.602 -9.355 -3.717 1.00 0.00 H new ATOM 0 HA THR A 91 74.251 -7.414 -1.610 1.00 0.00 H new ATOM 0 HB THR A 91 75.115 -9.233 -0.191 1.00 0.00 H new ATOM 0 HG1 THR A 91 75.545 -10.662 -2.641 1.00 0.00 H new ATOM 0 HG21 THR A 91 73.435 -10.964 -0.764 1.00 0.00 H new ATOM 0 HG22 THR A 91 72.752 -9.330 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 91 73.244 -10.244 -2.380 1.00 0.00 H new ATOM 1448 N GLN A 92 77.177 -7.890 -2.962 1.00 0.00 N ATOM 1449 CA GLN A 92 78.553 -7.402 -2.996 1.00 0.00 C ATOM 1450 C GLN A 92 78.602 -5.877 -3.069 1.00 0.00 C ATOM 1451 O GLN A 92 79.374 -5.240 -2.353 1.00 0.00 O ATOM 1452 CB GLN A 92 79.280 -7.989 -4.208 1.00 0.00 C ATOM 1453 CG GLN A 92 80.765 -7.634 -4.134 1.00 0.00 C ATOM 1454 CD GLN A 92 81.478 -8.109 -5.395 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.655 -7.812 -5.594 1.00 0.00 O ATOM 1456 NE2 GLN A 92 80.830 -8.837 -6.263 1.00 0.00 N ATOM 0 H GLN A 92 76.919 -8.490 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 92 79.044 -7.718 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.155 -9.072 -4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.847 -7.598 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.885 -6.556 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.215 -8.097 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 92 79.854 -9.082 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 92 81.299 -9.161 -7.109 1.00 0.00 H new