USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=13 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= 0.052 K(o=-0.84,f=-3.5) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 177:sc= -2.04! (180deg=-2.22!) USER MOD Set 1.3: A 37 SER OG : rot 54:sc= 1.15 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -2.18 (180deg=-2.78) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -125:sc= -0.676 (180deg=-2.93) USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 1.03 (180deg=0.213) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 165:sc= -0.0143 (180deg=-0.436) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.472 K(o=-0.47,f=-2!) USER MOD Single : A 59 TYR OH : rot -73:sc= 0.595 USER MOD Single : A 61 GLN : amide:sc= -0.674 K(o=-0.67,f=-0.088) USER MOD Single : A 69 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.078) 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 -87:sc= 0.181 USER MOD Single : A 83 ASN : amide:sc= -5.95! K(o=-5.9!,f=0.93) USER MOD Single : A 88 ASN : amide:sc= -0.0421 K(o=-0.042,f=-1.8!) USER MOD Single : A 91 THR OG1 : rot 95:sc= 1.12 USER MOD Single : A 92 GLN : amide:sc= -2.92! C(o=-2.9!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 10 64.698 -0.090 -12.599 1.00 0.00 N ATOM 171 CA LEU A 10 65.634 -0.866 -13.405 1.00 0.00 C ATOM 172 C LEU A 10 66.788 0.006 -13.887 1.00 0.00 C ATOM 173 O LEU A 10 66.581 1.121 -14.367 1.00 0.00 O ATOM 174 CB LEU A 10 64.906 -1.468 -14.609 1.00 0.00 C ATOM 175 CG LEU A 10 65.862 -2.372 -15.393 1.00 0.00 C ATOM 176 CD1 LEU A 10 66.251 -3.580 -14.536 1.00 0.00 C ATOM 177 CD2 LEU A 10 65.168 -2.857 -16.669 1.00 0.00 C ATOM 0 HA LEU A 10 66.040 -1.666 -12.785 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.041 -2.041 -14.274 1.00 0.00 H new ATOM 0 HB3 LEU A 10 64.531 -0.673 -15.254 1.00 0.00 H new ATOM 0 HG LEU A 10 66.759 -1.810 -15.653 1.00 0.00 H new ATOM 0 HD11 LEU A 10 66.931 -4.221 -15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 10 66.744 -3.237 -13.626 1.00 0.00 H new ATOM 0 HD13 LEU A 10 65.356 -4.143 -14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 10 65.846 -3.501 -17.230 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.271 -3.417 -16.405 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.893 -1.999 -17.282 1.00 0.00 H new ATOM 189 N VAL A 11 68.004 -0.516 -13.756 1.00 0.00 N ATOM 190 CA VAL A 11 69.194 0.211 -14.179 1.00 0.00 C ATOM 191 C VAL A 11 70.046 -0.656 -15.096 1.00 0.00 C ATOM 192 O VAL A 11 70.112 -1.874 -14.930 1.00 0.00 O ATOM 193 CB VAL A 11 70.016 0.626 -12.958 1.00 0.00 C ATOM 194 CG1 VAL A 11 70.533 -0.622 -12.242 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.203 1.478 -13.412 1.00 0.00 C ATOM 0 H VAL A 11 68.190 -1.438 -13.361 1.00 0.00 H new ATOM 0 HA VAL A 11 68.880 1.102 -14.723 1.00 0.00 H new ATOM 0 HB VAL A 11 69.390 1.203 -12.277 1.00 0.00 H new ATOM 0 HG11 VAL A 11 71.119 -0.326 -11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 69.689 -1.233 -11.921 1.00 0.00 H new ATOM 0 HG13 VAL A 11 71.160 -1.198 -12.922 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.791 1.775 -12.544 1.00 0.00 H new ATOM 0 HG22 VAL A 11 71.828 0.899 -14.092 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.837 2.368 -13.924 1.00 0.00 H new ATOM 205 N THR A 12 70.695 -0.022 -16.065 1.00 0.00 N ATOM 206 CA THR A 12 71.540 -0.748 -17.007 1.00 0.00 C ATOM 207 C THR A 12 72.918 -1.014 -16.407 1.00 0.00 C ATOM 208 O THR A 12 73.314 -0.380 -15.428 1.00 0.00 O ATOM 209 CB THR A 12 71.692 0.059 -18.298 1.00 0.00 C ATOM 210 OG1 THR A 12 72.485 1.210 -18.044 1.00 0.00 O ATOM 211 CG2 THR A 12 70.313 0.487 -18.799 1.00 0.00 C ATOM 0 H THR A 12 70.654 0.985 -16.219 1.00 0.00 H new ATOM 0 HA THR A 12 71.065 -1.704 -17.226 1.00 0.00 H new ATOM 0 HB THR A 12 72.176 -0.556 -19.057 1.00 0.00 H new ATOM 0 HG1 THR A 12 72.585 1.727 -18.870 1.00 0.00 H new ATOM 0 HG21 THR A 12 70.422 1.062 -19.719 1.00 0.00 H new ATOM 0 HG22 THR A 12 69.706 -0.397 -18.994 1.00 0.00 H new ATOM 0 HG23 THR A 12 69.826 1.102 -18.042 1.00 0.00 H new ATOM 219 N ILE A 13 73.642 -1.955 -17.003 1.00 0.00 N ATOM 220 CA ILE A 13 74.977 -2.303 -16.529 1.00 0.00 C ATOM 221 C ILE A 13 75.999 -2.118 -17.644 1.00 0.00 C ATOM 222 O ILE A 13 75.645 -2.108 -18.824 1.00 0.00 O ATOM 223 CB ILE A 13 74.993 -3.754 -16.035 1.00 0.00 C ATOM 224 CG1 ILE A 13 74.736 -4.707 -17.208 1.00 0.00 C ATOM 225 CG2 ILE A 13 73.899 -3.944 -14.981 1.00 0.00 C ATOM 226 CD1 ILE A 13 74.788 -6.153 -16.711 1.00 0.00 C ATOM 0 H ILE A 13 73.328 -2.489 -17.813 1.00 0.00 H new ATOM 0 HA ILE A 13 75.240 -1.643 -15.703 1.00 0.00 H new ATOM 0 HB ILE A 13 75.968 -3.973 -15.599 1.00 0.00 H new ATOM 0 HG12 ILE A 13 73.763 -4.499 -17.653 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.483 -4.552 -17.987 1.00 0.00 H new ATOM 0 HG21 ILE A 13 73.909 -4.975 -14.628 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.081 -3.272 -14.142 1.00 0.00 H new ATOM 0 HG23 ILE A 13 72.927 -3.720 -15.421 1.00 0.00 H new ATOM 0 HD11 ILE A 13 74.605 -6.831 -17.545 1.00 0.00 H new ATOM 0 HD12 ILE A 13 75.771 -6.357 -16.286 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.025 -6.303 -15.947 1.00 0.00 H new ATOM 238 N LYS A 14 77.264 -1.969 -17.268 1.00 0.00 N ATOM 239 CA LYS A 14 78.319 -1.783 -18.257 1.00 0.00 C ATOM 240 C LYS A 14 79.343 -2.907 -18.165 1.00 0.00 C ATOM 241 O LYS A 14 79.988 -3.086 -17.134 1.00 0.00 O ATOM 242 CB LYS A 14 79.008 -0.437 -18.028 1.00 0.00 C ATOM 243 CG LYS A 14 78.000 0.694 -18.240 1.00 0.00 C ATOM 244 CD LYS A 14 78.707 2.043 -18.108 1.00 0.00 C ATOM 245 CE LYS A 14 77.676 3.170 -18.193 1.00 0.00 C ATOM 246 NZ LYS A 14 76.988 3.113 -19.512 1.00 0.00 N ATOM 0 H LYS A 14 77.581 -1.973 -16.299 1.00 0.00 H new ATOM 0 HA LYS A 14 77.872 -1.799 -19.251 1.00 0.00 H new ATOM 0 HB2 LYS A 14 79.415 -0.392 -17.018 1.00 0.00 H new ATOM 0 HB3 LYS A 14 79.847 -0.324 -18.715 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.542 0.607 -19.225 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.196 0.620 -17.508 1.00 0.00 H new ATOM 0 HD2 LYS A 14 79.240 2.095 -17.159 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.450 2.155 -18.898 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.949 3.074 -17.387 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.166 4.136 -18.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.524 4.024 -19.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 77.685 2.918 -20.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.274 2.357 -19.499 1.00 0.00 H new ATOM 260 N ILE A 15 79.491 -3.663 -19.247 1.00 0.00 N ATOM 261 CA ILE A 15 80.449 -4.762 -19.264 1.00 0.00 C ATOM 262 C ILE A 15 81.367 -4.657 -20.478 1.00 0.00 C ATOM 263 O ILE A 15 80.940 -4.884 -21.610 1.00 0.00 O ATOM 264 CB ILE A 15 79.706 -6.098 -19.296 1.00 0.00 C ATOM 265 CG1 ILE A 15 78.760 -6.186 -18.094 1.00 0.00 C ATOM 266 CG2 ILE A 15 80.715 -7.247 -19.232 1.00 0.00 C ATOM 267 CD1 ILE A 15 77.905 -7.451 -18.205 1.00 0.00 C ATOM 0 H ILE A 15 78.967 -3.538 -20.113 1.00 0.00 H new ATOM 0 HA ILE A 15 81.056 -4.705 -18.361 1.00 0.00 H new ATOM 0 HB ILE A 15 79.131 -6.169 -20.219 1.00 0.00 H new ATOM 0 HG12 ILE A 15 79.334 -6.203 -17.167 1.00 0.00 H new ATOM 0 HG13 ILE A 15 78.120 -5.304 -18.057 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.184 -8.199 -19.255 1.00 0.00 H new ATOM 0 HG22 ILE A 15 81.389 -7.187 -20.086 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.291 -7.175 -18.309 1.00 0.00 H new ATOM 0 HD11 ILE A 15 77.233 -7.512 -17.349 1.00 0.00 H new ATOM 0 HD12 ILE A 15 77.320 -7.415 -19.124 1.00 0.00 H new ATOM 0 HD13 ILE A 15 78.553 -8.328 -18.221 1.00 0.00 H new ATOM 279 N GLY A 16 82.628 -4.318 -20.237 1.00 0.00 N ATOM 280 CA GLY A 16 83.597 -4.193 -21.320 1.00 0.00 C ATOM 281 C GLY A 16 83.385 -2.899 -22.097 1.00 0.00 C ATOM 282 O GLY A 16 84.026 -2.667 -23.123 1.00 0.00 O ATOM 0 H GLY A 16 83.002 -4.126 -19.308 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.608 -4.215 -20.913 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.506 -5.045 -21.994 1.00 0.00 H new ATOM 286 N GLY A 17 82.476 -2.062 -21.609 1.00 0.00 N ATOM 287 CA GLY A 17 82.177 -0.799 -22.274 1.00 0.00 C ATOM 288 C GLY A 17 80.928 -0.934 -23.134 1.00 0.00 C ATOM 289 O GLY A 17 80.616 -0.058 -23.940 1.00 0.00 O ATOM 0 H GLY A 17 81.936 -2.234 -20.761 1.00 0.00 H new ATOM 0 HA2 GLY A 17 82.031 -0.015 -21.531 1.00 0.00 H new ATOM 0 HA3 GLY A 17 83.022 -0.498 -22.893 1.00 0.00 H new ATOM 293 N GLN A 18 80.210 -2.036 -22.942 1.00 0.00 N ATOM 294 CA GLN A 18 78.986 -2.279 -23.692 1.00 0.00 C ATOM 295 C GLN A 18 77.779 -2.038 -22.795 1.00 0.00 C ATOM 296 O GLN A 18 77.850 -2.228 -21.581 1.00 0.00 O ATOM 297 CB GLN A 18 78.967 -3.717 -24.218 1.00 0.00 C ATOM 298 CG GLN A 18 80.115 -3.909 -25.212 1.00 0.00 C ATOM 299 CD GLN A 18 80.128 -5.343 -25.728 1.00 0.00 C ATOM 300 OE1 GLN A 18 79.550 -6.234 -25.106 1.00 0.00 O ATOM 301 NE2 GLN A 18 80.756 -5.621 -26.838 1.00 0.00 N ATOM 0 H GLN A 18 80.454 -2.770 -22.277 1.00 0.00 H new ATOM 0 HA GLN A 18 78.946 -1.595 -24.540 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.066 -4.420 -23.391 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.013 -3.926 -24.702 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.004 -3.216 -26.046 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.065 -3.679 -24.730 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.234 -4.881 -27.352 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.768 -6.578 -27.191 1.00 0.00 H new ATOM 310 N LEU A 19 76.676 -1.606 -23.393 1.00 0.00 N ATOM 311 CA LEU A 19 75.470 -1.331 -22.624 1.00 0.00 C ATOM 312 C LEU A 19 74.503 -2.508 -22.701 1.00 0.00 C ATOM 313 O LEU A 19 74.108 -2.932 -23.787 1.00 0.00 O ATOM 314 CB LEU A 19 74.805 -0.066 -23.162 1.00 0.00 C ATOM 315 CG LEU A 19 75.843 1.059 -23.193 1.00 0.00 C ATOM 316 CD1 LEU A 19 75.205 2.339 -23.729 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.366 1.309 -21.776 1.00 0.00 C ATOM 0 H LEU A 19 76.591 -1.440 -24.396 1.00 0.00 H new ATOM 0 HA LEU A 19 75.741 -1.183 -21.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.410 -0.243 -24.162 1.00 0.00 H new ATOM 0 HB3 LEU A 19 73.962 0.215 -22.531 1.00 0.00 H new ATOM 0 HG LEU A 19 76.668 0.768 -23.843 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.949 3.136 -23.749 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.833 2.165 -24.739 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.377 2.631 -23.083 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.105 2.110 -21.797 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.538 1.596 -21.128 1.00 0.00 H new ATOM 0 HD23 LEU A 19 76.828 0.399 -21.393 1.00 0.00 H new ATOM 329 N LYS A 20 74.132 -3.031 -21.538 1.00 0.00 N ATOM 330 CA LYS A 20 73.216 -4.164 -21.472 1.00 0.00 C ATOM 331 C LYS A 20 72.238 -3.994 -20.313 1.00 0.00 C ATOM 332 O LYS A 20 72.474 -3.202 -19.401 1.00 0.00 O ATOM 333 CB LYS A 20 74.008 -5.460 -21.291 1.00 0.00 C ATOM 334 CG LYS A 20 74.930 -5.664 -22.495 1.00 0.00 C ATOM 335 CD LYS A 20 75.656 -7.004 -22.366 1.00 0.00 C ATOM 336 CE LYS A 20 76.654 -7.158 -23.515 1.00 0.00 C ATOM 337 NZ LYS A 20 76.575 -5.964 -24.405 1.00 0.00 N ATOM 0 H LYS A 20 74.450 -2.690 -20.631 1.00 0.00 H new ATOM 0 HA LYS A 20 72.651 -4.210 -22.403 1.00 0.00 H new ATOM 0 HB2 LYS A 20 74.594 -5.416 -20.373 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.327 -6.305 -21.193 1.00 0.00 H new ATOM 0 HG2 LYS A 20 74.350 -5.641 -23.418 1.00 0.00 H new ATOM 0 HG3 LYS A 20 75.654 -4.851 -22.553 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.176 -7.057 -21.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 74.936 -7.822 -22.383 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.665 -7.265 -23.121 1.00 0.00 H new ATOM 0 HE3 LYS A 20 76.435 -8.063 -24.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 77.288 -6.044 -25.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 75.628 -5.910 -24.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 76.754 -5.104 -23.849 1.00 0.00 H new ATOM 351 N GLU A 21 71.148 -4.754 -20.344 1.00 0.00 N ATOM 352 CA GLU A 21 70.153 -4.686 -19.281 1.00 0.00 C ATOM 353 C GLU A 21 70.051 -6.035 -18.573 1.00 0.00 C ATOM 354 O GLU A 21 70.180 -7.085 -19.203 1.00 0.00 O ATOM 355 CB GLU A 21 68.792 -4.298 -19.862 1.00 0.00 C ATOM 356 CG GLU A 21 68.889 -2.913 -20.504 1.00 0.00 C ATOM 357 CD GLU A 21 67.526 -2.486 -21.033 1.00 0.00 C ATOM 358 OE1 GLU A 21 66.632 -3.317 -21.049 1.00 0.00 O ATOM 359 OE2 GLU A 21 67.394 -1.333 -21.414 1.00 0.00 O ATOM 0 H GLU A 21 70.933 -5.419 -21.087 1.00 0.00 H new ATOM 0 HA GLU A 21 70.459 -3.929 -18.559 1.00 0.00 H new ATOM 0 HB2 GLU A 21 68.478 -5.033 -20.603 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.037 -4.294 -19.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 69.247 -2.189 -19.773 1.00 0.00 H new ATOM 0 HG3 GLU A 21 69.615 -2.930 -21.317 1.00 0.00 H new ATOM 366 N ALA A 22 69.826 -6.001 -17.264 1.00 0.00 N ATOM 367 CA ALA A 22 69.720 -7.236 -16.492 1.00 0.00 C ATOM 368 C ALA A 22 68.689 -7.100 -15.378 1.00 0.00 C ATOM 369 O ALA A 22 68.421 -6.001 -14.894 1.00 0.00 O ATOM 370 CB ALA A 22 71.079 -7.588 -15.885 1.00 0.00 C ATOM 0 H ALA A 22 69.715 -5.145 -16.720 1.00 0.00 H new ATOM 0 HA ALA A 22 69.399 -8.030 -17.167 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.993 -8.510 -15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.809 -7.724 -16.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.404 -6.781 -15.229 1.00 0.00 H new ATOM 376 N LEU A 23 68.120 -8.232 -14.974 1.00 0.00 N ATOM 377 CA LEU A 23 67.122 -8.241 -13.911 1.00 0.00 C ATOM 378 C LEU A 23 67.750 -8.713 -12.604 1.00 0.00 C ATOM 379 O LEU A 23 68.673 -9.528 -12.608 1.00 0.00 O ATOM 380 CB LEU A 23 65.964 -9.167 -14.291 1.00 0.00 C ATOM 381 CG LEU A 23 65.433 -8.778 -15.672 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.198 -9.621 -16.003 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.052 -7.297 -15.676 1.00 0.00 C ATOM 0 H LEU A 23 68.332 -9.150 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 23 66.743 -7.228 -13.777 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.300 -10.204 -14.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.168 -9.095 -13.550 1.00 0.00 H new ATOM 0 HG LEU A 23 66.207 -8.957 -16.419 1.00 0.00 H new ATOM 0 HD11 LEU A 23 63.821 -9.343 -16.987 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.468 -10.677 -16.003 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.425 -9.444 -15.255 1.00 0.00 H new ATOM 0 HD21 LEU A 23 64.674 -7.021 -16.660 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.280 -7.118 -14.928 1.00 0.00 H new ATOM 0 HD23 LEU A 23 65.930 -6.695 -15.443 1.00 0.00 H new ATOM 395 N LEU A 24 67.247 -8.197 -11.489 1.00 0.00 N ATOM 396 CA LEU A 24 67.776 -8.578 -10.185 1.00 0.00 C ATOM 397 C LEU A 24 66.990 -9.750 -9.609 1.00 0.00 C ATOM 398 O LEU A 24 65.760 -9.747 -9.610 1.00 0.00 O ATOM 399 CB LEU A 24 67.702 -7.391 -9.221 1.00 0.00 C ATOM 400 CG LEU A 24 68.588 -6.249 -9.734 1.00 0.00 C ATOM 401 CD1 LEU A 24 67.965 -5.616 -10.983 1.00 0.00 C ATOM 402 CD2 LEU A 24 68.721 -5.186 -8.641 1.00 0.00 C ATOM 0 H LEU A 24 66.483 -7.522 -11.460 1.00 0.00 H new ATOM 0 HA LEU A 24 68.816 -8.878 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 24 66.671 -7.050 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.027 -7.697 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 24 69.570 -6.646 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.603 -4.807 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.868 -6.371 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 66.980 -5.220 -10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.350 -4.372 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.734 -4.798 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.174 -5.630 -7.755 1.00 0.00 H new ATOM 414 N ASP A 25 67.711 -10.751 -9.112 1.00 0.00 N ATOM 415 CA ASP A 25 67.070 -11.923 -8.529 1.00 0.00 C ATOM 416 C ASP A 25 66.573 -11.613 -7.120 1.00 0.00 C ATOM 417 O ASP A 25 67.272 -10.970 -6.335 1.00 0.00 O ATOM 418 CB ASP A 25 68.055 -13.090 -8.479 1.00 0.00 C ATOM 419 CG ASP A 25 67.328 -14.358 -8.048 1.00 0.00 C ATOM 420 OD1 ASP A 25 66.831 -15.057 -8.916 1.00 0.00 O ATOM 421 OD2 ASP A 25 67.272 -14.608 -6.857 1.00 0.00 O ATOM 0 H ASP A 25 68.731 -10.774 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 25 66.219 -12.196 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 25 68.511 -13.236 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 25 68.862 -12.867 -7.781 1.00 0.00 H new ATOM 426 N THR A 26 65.371 -12.083 -6.799 1.00 0.00 N ATOM 427 CA THR A 26 64.803 -11.860 -5.475 1.00 0.00 C ATOM 428 C THR A 26 65.556 -12.682 -4.431 1.00 0.00 C ATOM 429 O THR A 26 65.654 -12.293 -3.268 1.00 0.00 O ATOM 430 CB THR A 26 63.319 -12.247 -5.471 1.00 0.00 C ATOM 431 OG1 THR A 26 62.661 -11.595 -6.549 1.00 0.00 O ATOM 432 CG2 THR A 26 62.675 -11.817 -4.151 1.00 0.00 C ATOM 0 H THR A 26 64.776 -12.617 -7.433 1.00 0.00 H new ATOM 0 HA THR A 26 64.898 -10.803 -5.226 1.00 0.00 H new ATOM 0 HB THR A 26 63.228 -13.328 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 26 61.713 -11.842 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 26 61.621 -12.094 -4.153 1.00 0.00 H new ATOM 0 HG22 THR A 26 63.179 -12.313 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 26 62.766 -10.737 -4.037 1.00 0.00 H new ATOM 440 N GLY A 27 66.087 -13.824 -4.861 1.00 0.00 N ATOM 441 CA GLY A 27 66.830 -14.701 -3.964 1.00 0.00 C ATOM 442 C GLY A 27 66.938 -16.106 -4.544 1.00 0.00 C ATOM 443 O GLY A 27 66.133 -16.983 -4.230 1.00 0.00 O ATOM 0 H GLY A 27 66.016 -14.161 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 27 67.827 -14.295 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 66.334 -14.741 -2.994 1.00 0.00 H new ATOM 447 N ALA A 28 67.938 -16.311 -5.395 1.00 0.00 N ATOM 448 CA ALA A 28 68.143 -17.612 -6.020 1.00 0.00 C ATOM 449 C ALA A 28 69.621 -17.993 -6.012 1.00 0.00 C ATOM 450 O ALA A 28 69.973 -19.148 -6.253 1.00 0.00 O ATOM 451 CB ALA A 28 67.631 -17.585 -7.461 1.00 0.00 C ATOM 0 H ALA A 28 68.615 -15.598 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 28 67.588 -18.356 -5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.788 -18.561 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 28 66.567 -17.349 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.173 -16.826 -8.026 1.00 0.00 H new ATOM 457 N ASP A 29 70.484 -17.019 -5.736 1.00 0.00 N ATOM 458 CA ASP A 29 71.921 -17.272 -5.703 1.00 0.00 C ATOM 459 C ASP A 29 72.387 -17.890 -7.018 1.00 0.00 C ATOM 460 O ASP A 29 73.172 -18.838 -7.026 1.00 0.00 O ATOM 461 CB ASP A 29 72.259 -18.210 -4.543 1.00 0.00 C ATOM 462 CG ASP A 29 71.951 -17.526 -3.215 1.00 0.00 C ATOM 463 OD1 ASP A 29 71.809 -16.313 -3.216 1.00 0.00 O ATOM 464 OD2 ASP A 29 71.863 -18.222 -2.217 1.00 0.00 O ATOM 0 H ASP A 29 70.217 -16.056 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 29 72.436 -16.322 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.683 -19.131 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 29 73.312 -18.487 -4.583 1.00 0.00 H new ATOM 469 N ASP A 30 71.900 -17.340 -8.125 1.00 0.00 N ATOM 470 CA ASP A 30 72.271 -17.837 -9.445 1.00 0.00 C ATOM 471 C ASP A 30 72.472 -16.677 -10.415 1.00 0.00 C ATOM 472 O ASP A 30 71.584 -15.843 -10.590 1.00 0.00 O ATOM 473 CB ASP A 30 71.179 -18.767 -9.978 1.00 0.00 C ATOM 474 CG ASP A 30 71.099 -20.029 -9.125 1.00 0.00 C ATOM 475 OD1 ASP A 30 72.044 -20.292 -8.402 1.00 0.00 O ATOM 476 OD2 ASP A 30 70.091 -20.712 -9.207 1.00 0.00 O ATOM 0 H ASP A 30 71.250 -16.554 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 30 73.207 -18.389 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 30 70.218 -18.253 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 30 71.391 -19.032 -11.014 1.00 0.00 H new ATOM 481 N THR A 31 73.644 -16.628 -11.040 1.00 0.00 N ATOM 482 CA THR A 31 73.945 -15.560 -11.987 1.00 0.00 C ATOM 483 C THR A 31 74.229 -16.130 -13.374 1.00 0.00 C ATOM 484 O THR A 31 75.226 -16.820 -13.580 1.00 0.00 O ATOM 485 CB THR A 31 75.160 -14.765 -11.504 1.00 0.00 C ATOM 486 OG1 THR A 31 75.791 -14.143 -12.614 1.00 0.00 O ATOM 487 CG2 THR A 31 76.147 -15.708 -10.815 1.00 0.00 C ATOM 0 H THR A 31 74.394 -17.307 -10.910 1.00 0.00 H new ATOM 0 HA THR A 31 73.078 -14.903 -12.050 1.00 0.00 H new ATOM 0 HB THR A 31 74.837 -14.001 -10.797 1.00 0.00 H new ATOM 0 HG1 THR A 31 76.568 -13.633 -12.305 1.00 0.00 H new ATOM 0 HG21 THR A 31 77.012 -15.141 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.662 -16.183 -9.962 1.00 0.00 H new ATOM 0 HG23 THR A 31 76.471 -16.473 -11.520 1.00 0.00 H new ATOM 495 N VAL A 32 73.349 -15.825 -14.323 1.00 0.00 N ATOM 496 CA VAL A 32 73.519 -16.300 -15.692 1.00 0.00 C ATOM 497 C VAL A 32 73.349 -15.141 -16.669 1.00 0.00 C ATOM 498 O VAL A 32 72.391 -14.375 -16.569 1.00 0.00 O ATOM 499 CB VAL A 32 72.493 -17.394 -15.997 1.00 0.00 C ATOM 500 CG1 VAL A 32 72.795 -18.023 -17.360 1.00 0.00 C ATOM 501 CG2 VAL A 32 72.567 -18.473 -14.914 1.00 0.00 C ATOM 0 H VAL A 32 72.517 -15.255 -14.171 1.00 0.00 H new ATOM 0 HA VAL A 32 74.521 -16.714 -15.802 1.00 0.00 H new ATOM 0 HB VAL A 32 71.495 -16.957 -16.015 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.062 -18.801 -17.572 1.00 0.00 H new ATOM 0 HG12 VAL A 32 72.745 -17.257 -18.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.794 -18.460 -17.346 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.837 -19.254 -15.128 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.567 -18.905 -14.899 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.349 -18.029 -13.943 1.00 0.00 H new ATOM 511 N ILE A 33 74.282 -15.005 -17.603 1.00 0.00 N ATOM 512 CA ILE A 33 74.208 -13.917 -18.572 1.00 0.00 C ATOM 513 C ILE A 33 74.283 -14.427 -20.007 1.00 0.00 C ATOM 514 O ILE A 33 75.013 -15.374 -20.310 1.00 0.00 O ATOM 515 CB ILE A 33 75.339 -12.919 -18.321 1.00 0.00 C ATOM 516 CG1 ILE A 33 75.229 -12.378 -16.892 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.225 -11.760 -19.314 1.00 0.00 C ATOM 518 CD1 ILE A 33 76.401 -11.438 -16.607 1.00 0.00 C ATOM 0 H ILE A 33 75.086 -15.623 -17.711 1.00 0.00 H new ATOM 0 HA ILE A 33 73.244 -13.426 -18.442 1.00 0.00 H new ATOM 0 HB ILE A 33 76.300 -13.416 -18.451 1.00 0.00 H new ATOM 0 HG12 ILE A 33 74.285 -11.848 -16.765 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.230 -13.203 -16.179 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.031 -11.048 -19.136 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.298 -12.144 -20.331 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.265 -11.261 -19.183 1.00 0.00 H new ATOM 0 HD11 ILE A 33 76.321 -11.054 -15.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.339 -11.982 -16.716 1.00 0.00 H new ATOM 0 HD13 ILE A 33 76.380 -10.606 -17.311 1.00 0.00 H new ATOM 530 N GLU A 34 73.535 -13.769 -20.892 1.00 0.00 N ATOM 531 CA GLU A 34 73.535 -14.130 -22.305 1.00 0.00 C ATOM 532 C GLU A 34 74.954 -14.039 -22.859 1.00 0.00 C ATOM 533 O GLU A 34 75.768 -13.262 -22.363 1.00 0.00 O ATOM 534 CB GLU A 34 72.627 -13.173 -23.079 1.00 0.00 C ATOM 535 CG GLU A 34 72.506 -13.636 -24.532 1.00 0.00 C ATOM 536 CD GLU A 34 71.715 -12.614 -25.342 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.311 -11.617 -24.767 1.00 0.00 O ATOM 538 OE2 GLU A 34 71.527 -12.843 -26.525 1.00 0.00 O ATOM 0 H GLU A 34 72.925 -12.987 -20.655 1.00 0.00 H new ATOM 0 HA GLU A 34 73.167 -15.150 -22.414 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.641 -13.138 -22.616 1.00 0.00 H new ATOM 0 HB3 GLU A 34 73.033 -12.162 -23.042 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.498 -13.766 -24.965 1.00 0.00 H new ATOM 0 HG3 GLU A 34 72.011 -14.606 -24.573 1.00 0.00 H new ATOM 545 N GLU A 35 75.250 -14.827 -23.886 1.00 0.00 N ATOM 546 CA GLU A 35 76.580 -14.805 -24.486 1.00 0.00 C ATOM 547 C GLU A 35 76.794 -13.504 -25.258 1.00 0.00 C ATOM 548 O GLU A 35 75.885 -13.014 -25.927 1.00 0.00 O ATOM 549 CB GLU A 35 76.746 -15.995 -25.436 1.00 0.00 C ATOM 550 CG GLU A 35 78.189 -16.052 -25.937 1.00 0.00 C ATOM 551 CD GLU A 35 78.334 -17.163 -26.972 1.00 0.00 C ATOM 552 OE1 GLU A 35 77.336 -17.795 -27.277 1.00 0.00 O ATOM 553 OE2 GLU A 35 79.440 -17.367 -27.444 1.00 0.00 O ATOM 0 H GLU A 35 74.597 -15.482 -24.317 1.00 0.00 H new ATOM 0 HA GLU A 35 77.320 -14.871 -23.689 1.00 0.00 H new ATOM 0 HB2 GLU A 35 76.492 -16.922 -24.922 1.00 0.00 H new ATOM 0 HB3 GLU A 35 76.061 -15.899 -26.279 1.00 0.00 H new ATOM 0 HG2 GLU A 35 78.469 -15.095 -26.376 1.00 0.00 H new ATOM 0 HG3 GLU A 35 78.867 -16.230 -25.102 1.00 0.00 H new ATOM 560 N MET A 36 77.998 -12.948 -25.159 1.00 0.00 N ATOM 561 CA MET A 36 78.314 -11.702 -25.854 1.00 0.00 C ATOM 562 C MET A 36 79.631 -11.829 -26.615 1.00 0.00 C ATOM 563 O MET A 36 79.694 -12.457 -27.671 1.00 0.00 O ATOM 564 CB MET A 36 78.418 -10.550 -24.851 1.00 0.00 C ATOM 565 CG MET A 36 79.141 -11.028 -23.589 1.00 0.00 C ATOM 566 SD MET A 36 77.957 -11.815 -22.471 1.00 0.00 S ATOM 567 CE MET A 36 77.080 -10.313 -21.967 1.00 0.00 C ATOM 0 H MET A 36 78.765 -13.335 -24.610 1.00 0.00 H new ATOM 0 HA MET A 36 77.512 -11.496 -26.563 1.00 0.00 H new ATOM 0 HB2 MET A 36 78.958 -9.715 -25.297 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.423 -10.186 -24.596 1.00 0.00 H new ATOM 0 HG2 MET A 36 79.929 -11.733 -23.854 1.00 0.00 H new ATOM 0 HG3 MET A 36 79.621 -10.185 -23.092 1.00 0.00 H new ATOM 0 HE1 MET A 36 77.090 -10.233 -20.880 1.00 0.00 H new ATOM 0 HE2 MET A 36 77.573 -9.442 -22.399 1.00 0.00 H new ATOM 0 HE3 MET A 36 76.049 -10.358 -22.318 1.00 0.00 H new ATOM 577 N SER A 37 80.681 -11.230 -26.061 1.00 0.00 N ATOM 578 CA SER A 37 82.001 -11.278 -26.682 1.00 0.00 C ATOM 579 C SER A 37 83.084 -11.263 -25.608 1.00 0.00 C ATOM 580 O SER A 37 83.752 -10.251 -25.399 1.00 0.00 O ATOM 581 CB SER A 37 82.184 -10.081 -27.614 1.00 0.00 C ATOM 582 OG SER A 37 82.223 -8.888 -26.843 1.00 0.00 O ATOM 0 H SER A 37 80.644 -10.707 -25.186 1.00 0.00 H new ATOM 0 HA SER A 37 82.084 -12.198 -27.261 1.00 0.00 H new ATOM 0 HB2 SER A 37 83.106 -10.188 -28.186 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.366 -10.037 -28.333 1.00 0.00 H new ATOM 0 HG SER A 37 82.909 -8.970 -26.148 1.00 0.00 H new ATOM 588 N LEU A 38 83.241 -12.390 -24.921 1.00 0.00 N ATOM 589 CA LEU A 38 84.232 -12.496 -23.857 1.00 0.00 C ATOM 590 C LEU A 38 85.262 -13.582 -24.171 1.00 0.00 C ATOM 591 O LEU A 38 85.095 -14.735 -23.772 1.00 0.00 O ATOM 592 CB LEU A 38 83.531 -12.827 -22.538 1.00 0.00 C ATOM 593 CG LEU A 38 82.637 -11.654 -22.129 1.00 0.00 C ATOM 594 CD1 LEU A 38 81.816 -12.042 -20.899 1.00 0.00 C ATOM 595 CD2 LEU A 38 83.505 -10.437 -21.798 1.00 0.00 C ATOM 0 H LEU A 38 82.698 -13.238 -25.081 1.00 0.00 H new ATOM 0 HA LEU A 38 84.751 -11.541 -23.775 1.00 0.00 H new ATOM 0 HB2 LEU A 38 82.934 -13.732 -22.648 1.00 0.00 H new ATOM 0 HB3 LEU A 38 84.269 -13.024 -21.761 1.00 0.00 H new ATOM 0 HG LEU A 38 81.966 -11.408 -22.952 1.00 0.00 H new ATOM 0 HD11 LEU A 38 81.179 -11.206 -20.608 1.00 0.00 H new ATOM 0 HD12 LEU A 38 81.195 -12.907 -21.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 82.487 -12.290 -20.077 1.00 0.00 H new ATOM 0 HD21 LEU A 38 82.866 -9.603 -21.507 1.00 0.00 H new ATOM 0 HD22 LEU A 38 84.178 -10.683 -20.976 1.00 0.00 H new ATOM 0 HD23 LEU A 38 84.090 -10.158 -22.675 1.00 0.00 H new ATOM 607 N PRO A 39 86.316 -13.243 -24.872 1.00 0.00 N ATOM 608 CA PRO A 39 87.380 -14.218 -25.235 1.00 0.00 C ATOM 609 C PRO A 39 88.304 -14.517 -24.057 1.00 0.00 C ATOM 610 O PRO A 39 88.079 -14.042 -22.944 1.00 0.00 O ATOM 611 CB PRO A 39 88.136 -13.535 -26.373 1.00 0.00 C ATOM 612 CG PRO A 39 87.895 -12.069 -26.210 1.00 0.00 C ATOM 613 CD PRO A 39 86.610 -11.897 -25.394 1.00 0.00 C ATOM 0 HA PRO A 39 86.969 -15.185 -25.524 1.00 0.00 H new ATOM 0 HB2 PRO A 39 89.201 -13.763 -26.325 1.00 0.00 H new ATOM 0 HB3 PRO A 39 87.779 -13.883 -27.342 1.00 0.00 H new ATOM 0 HG2 PRO A 39 88.736 -11.597 -25.703 1.00 0.00 H new ATOM 0 HG3 PRO A 39 87.798 -11.587 -27.183 1.00 0.00 H new ATOM 0 HD2 PRO A 39 86.748 -11.180 -24.585 1.00 0.00 H new ATOM 0 HD3 PRO A 39 85.794 -11.526 -26.014 1.00 0.00 H new ATOM 621 N GLY A 40 89.343 -15.305 -24.310 1.00 0.00 N ATOM 622 CA GLY A 40 90.292 -15.657 -23.258 1.00 0.00 C ATOM 623 C GLY A 40 90.372 -17.169 -23.075 1.00 0.00 C ATOM 624 O GLY A 40 91.043 -17.861 -23.842 1.00 0.00 O ATOM 0 H GLY A 40 89.549 -15.709 -25.224 1.00 0.00 H new ATOM 0 HA2 GLY A 40 91.278 -15.265 -23.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.991 -15.189 -22.321 1.00 0.00 H new ATOM 628 N ARG A 41 89.688 -17.676 -22.055 1.00 0.00 N ATOM 629 CA ARG A 41 89.698 -19.110 -21.784 1.00 0.00 C ATOM 630 C ARG A 41 88.287 -19.686 -21.867 1.00 0.00 C ATOM 631 O ARG A 41 87.307 -19.008 -21.555 1.00 0.00 O ATOM 632 CB ARG A 41 90.276 -19.375 -20.393 1.00 0.00 C ATOM 633 CG ARG A 41 91.740 -18.933 -20.351 1.00 0.00 C ATOM 634 CD ARG A 41 92.345 -19.308 -18.997 1.00 0.00 C ATOM 635 NE ARG A 41 91.553 -18.735 -17.915 1.00 0.00 N ATOM 636 CZ ARG A 41 91.673 -19.177 -16.667 1.00 0.00 C ATOM 637 NH1 ARG A 41 92.511 -20.139 -16.394 1.00 0.00 N ATOM 638 NH2 ARG A 41 90.952 -18.651 -15.716 1.00 0.00 N ATOM 0 H ARG A 41 89.125 -17.123 -21.408 1.00 0.00 H new ATOM 0 HA ARG A 41 90.320 -19.595 -22.536 1.00 0.00 H new ATOM 0 HB2 ARG A 41 89.701 -18.835 -19.641 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.199 -20.435 -20.152 1.00 0.00 H new ATOM 0 HG2 ARG A 41 92.299 -19.410 -21.156 1.00 0.00 H new ATOM 0 HG3 ARG A 41 91.811 -17.857 -20.508 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.382 -20.393 -18.895 1.00 0.00 H new ATOM 0 HD3 ARG A 41 93.372 -18.947 -18.937 1.00 0.00 H new ATOM 0 HE ARG A 41 90.896 -17.982 -18.119 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.074 -20.552 -17.138 1.00 0.00 H new ATOM 0 HH12 ARG A 41 92.603 -20.478 -15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 41 90.296 -17.900 -15.930 1.00 0.00 H new ATOM 0 HH22 ARG A 41 91.045 -18.991 -14.759 1.00 0.00 H new ATOM 652 N TRP A 42 88.195 -20.943 -22.290 1.00 0.00 N ATOM 653 CA TRP A 42 86.905 -21.611 -22.417 1.00 0.00 C ATOM 654 C TRP A 42 86.759 -22.703 -21.362 1.00 0.00 C ATOM 655 O TRP A 42 87.620 -23.574 -21.239 1.00 0.00 O ATOM 656 CB TRP A 42 86.786 -22.237 -23.808 1.00 0.00 C ATOM 657 CG TRP A 42 85.767 -21.497 -24.613 1.00 0.00 C ATOM 658 CD1 TRP A 42 85.826 -20.182 -24.926 1.00 0.00 C ATOM 659 CD2 TRP A 42 84.546 -22.008 -25.219 1.00 0.00 C ATOM 660 NE1 TRP A 42 84.714 -19.853 -25.682 1.00 0.00 N ATOM 661 CE2 TRP A 42 83.896 -20.946 -25.891 1.00 0.00 C ATOM 662 CE3 TRP A 42 83.942 -23.279 -25.250 1.00 0.00 C ATOM 663 CZ2 TRP A 42 82.692 -21.136 -26.569 1.00 0.00 C ATOM 664 CZ3 TRP A 42 82.731 -23.475 -25.932 1.00 0.00 C ATOM 665 CH2 TRP A 42 82.107 -22.405 -26.590 1.00 0.00 C ATOM 0 H TRP A 42 88.996 -21.518 -22.550 1.00 0.00 H new ATOM 0 HA TRP A 42 86.117 -20.872 -22.272 1.00 0.00 H new ATOM 0 HB2 TRP A 42 87.752 -22.209 -24.313 1.00 0.00 H new ATOM 0 HB3 TRP A 42 86.502 -23.286 -23.721 1.00 0.00 H new ATOM 0 HD1 TRP A 42 86.612 -19.501 -24.634 1.00 0.00 H new ATOM 0 HE1 TRP A 42 84.522 -18.918 -26.041 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.414 -24.109 -24.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 82.215 -20.309 -27.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 82.277 -24.455 -25.950 1.00 0.00 H new ATOM 0 HH2 TRP A 42 81.175 -22.562 -27.113 1.00 0.00 H new ATOM 676 N LYS A 43 85.667 -22.658 -20.603 1.00 0.00 N ATOM 677 CA LYS A 43 85.432 -23.658 -19.570 1.00 0.00 C ATOM 678 C LYS A 43 84.058 -24.301 -19.758 1.00 0.00 C ATOM 679 O LYS A 43 83.067 -23.844 -19.191 1.00 0.00 O ATOM 680 CB LYS A 43 85.524 -23.011 -18.183 1.00 0.00 C ATOM 681 CG LYS A 43 86.676 -23.651 -17.402 1.00 0.00 C ATOM 682 CD LYS A 43 86.722 -23.074 -15.986 1.00 0.00 C ATOM 683 CE LYS A 43 87.255 -24.134 -15.019 1.00 0.00 C ATOM 684 NZ LYS A 43 87.980 -23.468 -13.900 1.00 0.00 N ATOM 0 H LYS A 43 84.939 -21.948 -20.683 1.00 0.00 H new ATOM 0 HA LYS A 43 86.195 -24.432 -19.652 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.687 -21.938 -18.280 1.00 0.00 H new ATOM 0 HB3 LYS A 43 84.586 -23.144 -17.644 1.00 0.00 H new ATOM 0 HG2 LYS A 43 86.544 -24.732 -17.360 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.621 -23.465 -17.912 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.361 -22.191 -15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 43 85.726 -22.755 -15.679 1.00 0.00 H new ATOM 0 HE2 LYS A 43 86.431 -24.732 -14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 43 87.923 -24.817 -15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 87.708 -23.910 -12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 89.005 -23.571 -14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 87.733 -22.458 -13.879 1.00 0.00 H new ATOM 698 N PRO A 44 83.977 -25.341 -20.551 1.00 0.00 N ATOM 699 CA PRO A 44 82.690 -26.044 -20.817 1.00 0.00 C ATOM 700 C PRO A 44 81.993 -26.468 -19.527 1.00 0.00 C ATOM 701 O PRO A 44 82.624 -26.992 -18.610 1.00 0.00 O ATOM 702 CB PRO A 44 83.097 -27.270 -21.640 1.00 0.00 C ATOM 703 CG PRO A 44 84.420 -26.931 -22.239 1.00 0.00 C ATOM 704 CD PRO A 44 85.098 -25.954 -21.281 1.00 0.00 C ATOM 0 HA PRO A 44 81.977 -25.401 -21.333 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.167 -28.158 -21.012 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.360 -27.485 -22.414 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.026 -27.827 -22.371 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.295 -26.483 -23.225 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.782 -26.467 -20.605 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.681 -25.207 -21.819 1.00 0.00 H new ATOM 712 N LYS A 45 80.686 -26.240 -19.470 1.00 0.00 N ATOM 713 CA LYS A 45 79.905 -26.604 -18.294 1.00 0.00 C ATOM 714 C LYS A 45 78.590 -27.247 -18.720 1.00 0.00 C ATOM 715 O LYS A 45 77.976 -26.831 -19.702 1.00 0.00 O ATOM 716 CB LYS A 45 79.627 -25.360 -17.441 1.00 0.00 C ATOM 717 CG LYS A 45 78.921 -25.756 -16.137 1.00 0.00 C ATOM 718 CD LYS A 45 79.947 -26.265 -15.119 1.00 0.00 C ATOM 719 CE LYS A 45 79.255 -26.505 -13.776 1.00 0.00 C ATOM 720 NZ LYS A 45 80.261 -26.947 -12.771 1.00 0.00 N ATOM 0 H LYS A 45 80.147 -25.807 -20.220 1.00 0.00 H new ATOM 0 HA LYS A 45 80.474 -27.320 -17.701 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.563 -24.849 -17.215 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.007 -24.659 -18.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.386 -24.899 -15.729 1.00 0.00 H new ATOM 0 HG3 LYS A 45 78.179 -26.530 -16.336 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.402 -27.189 -15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 45 80.751 -25.538 -15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.765 -25.591 -13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 45 78.478 -27.261 -13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.791 -27.110 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.709 -27.829 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 80.987 -26.211 -12.660 1.00 0.00 H new ATOM 734 N MET A 46 78.157 -28.256 -17.973 1.00 0.00 N ATOM 735 CA MET A 46 76.907 -28.936 -18.286 1.00 0.00 C ATOM 736 C MET A 46 76.111 -29.191 -17.014 1.00 0.00 C ATOM 737 O MET A 46 76.647 -29.695 -16.028 1.00 0.00 O ATOM 738 CB MET A 46 77.195 -30.268 -18.980 1.00 0.00 C ATOM 739 CG MET A 46 78.497 -30.858 -18.436 1.00 0.00 C ATOM 740 SD MET A 46 78.581 -32.619 -18.843 1.00 0.00 S ATOM 741 CE MET A 46 78.748 -32.438 -20.636 1.00 0.00 C ATOM 0 H MET A 46 78.647 -28.618 -17.155 1.00 0.00 H new ATOM 0 HA MET A 46 76.324 -28.299 -18.951 1.00 0.00 H new ATOM 0 HB2 MET A 46 76.371 -30.962 -18.813 1.00 0.00 H new ATOM 0 HB3 MET A 46 77.273 -30.119 -20.057 1.00 0.00 H new ATOM 0 HG2 MET A 46 79.352 -30.334 -18.863 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.547 -30.721 -17.356 1.00 0.00 H new ATOM 0 HE1 MET A 46 79.081 -33.382 -21.068 1.00 0.00 H new ATOM 0 HE2 MET A 46 77.785 -32.162 -21.065 1.00 0.00 H new ATOM 0 HE3 MET A 46 79.479 -31.660 -20.857 1.00 0.00 H new ATOM 751 N ILE A 47 74.828 -28.850 -17.041 1.00 0.00 N ATOM 752 CA ILE A 47 73.977 -29.059 -15.878 1.00 0.00 C ATOM 753 C ILE A 47 72.918 -30.109 -16.190 1.00 0.00 C ATOM 754 O ILE A 47 72.106 -29.937 -17.105 1.00 0.00 O ATOM 755 CB ILE A 47 73.304 -27.742 -15.477 1.00 0.00 C ATOM 756 CG1 ILE A 47 74.373 -26.666 -15.282 1.00 0.00 C ATOM 757 CG2 ILE A 47 72.537 -27.929 -14.164 1.00 0.00 C ATOM 758 CD1 ILE A 47 73.698 -25.326 -14.981 1.00 0.00 C ATOM 0 H ILE A 47 74.359 -28.433 -17.845 1.00 0.00 H new ATOM 0 HA ILE A 47 74.592 -29.410 -15.049 1.00 0.00 H new ATOM 0 HB ILE A 47 72.611 -27.440 -16.262 1.00 0.00 H new ATOM 0 HG12 ILE A 47 75.038 -26.943 -14.464 1.00 0.00 H new ATOM 0 HG13 ILE A 47 74.988 -26.583 -16.178 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.061 -26.989 -13.884 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.775 -28.698 -14.294 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.229 -28.233 -13.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 74.459 -24.558 -14.842 1.00 0.00 H new ATOM 0 HD12 ILE A 47 73.051 -25.049 -15.814 1.00 0.00 H new ATOM 0 HD13 ILE A 47 73.102 -25.415 -14.073 1.00 0.00 H new ATOM 817 N PHE A 53 69.760 -29.368 -17.713 1.00 0.00 N ATOM 818 CA PHE A 53 69.929 -30.396 -18.736 1.00 0.00 C ATOM 819 C PHE A 53 70.451 -29.783 -20.030 1.00 0.00 C ATOM 820 O PHE A 53 70.092 -30.223 -21.123 1.00 0.00 O ATOM 821 CB PHE A 53 68.590 -31.089 -19.000 1.00 0.00 C ATOM 822 CG PHE A 53 67.544 -30.051 -19.332 1.00 0.00 C ATOM 823 CD1 PHE A 53 66.834 -29.420 -18.302 1.00 0.00 C ATOM 824 CD2 PHE A 53 67.282 -29.720 -20.666 1.00 0.00 C ATOM 825 CE1 PHE A 53 65.864 -28.459 -18.608 1.00 0.00 C ATOM 826 CE2 PHE A 53 66.312 -28.758 -20.971 1.00 0.00 C ATOM 827 CZ PHE A 53 65.603 -28.127 -19.943 1.00 0.00 C ATOM 0 HA PHE A 53 70.654 -31.127 -18.377 1.00 0.00 H new ATOM 0 HB2 PHE A 53 68.690 -31.796 -19.823 1.00 0.00 H new ATOM 0 HB3 PHE A 53 68.285 -31.661 -18.124 1.00 0.00 H new ATOM 0 HD1 PHE A 53 67.035 -29.675 -17.272 1.00 0.00 H new ATOM 0 HD2 PHE A 53 67.828 -30.207 -21.460 1.00 0.00 H new ATOM 0 HE1 PHE A 53 65.316 -27.973 -17.814 1.00 0.00 H new ATOM 0 HE2 PHE A 53 66.111 -28.503 -22.001 1.00 0.00 H new ATOM 0 HZ PHE A 53 64.855 -27.385 -20.179 1.00 0.00 H new ATOM 837 N ILE A 54 71.292 -28.762 -19.906 1.00 0.00 N ATOM 838 CA ILE A 54 71.843 -28.095 -21.085 1.00 0.00 C ATOM 839 C ILE A 54 73.345 -27.868 -20.943 1.00 0.00 C ATOM 840 O ILE A 54 73.865 -27.749 -19.834 1.00 0.00 O ATOM 841 CB ILE A 54 71.144 -26.751 -21.293 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.579 -26.149 -22.632 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.527 -25.798 -20.160 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.575 -25.079 -23.060 1.00 0.00 C ATOM 0 H ILE A 54 71.605 -28.380 -19.014 1.00 0.00 H new ATOM 0 HA ILE A 54 71.673 -28.740 -21.947 1.00 0.00 H new ATOM 0 HB ILE A 54 70.064 -26.901 -21.296 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.574 -25.713 -22.541 1.00 0.00 H new ATOM 0 HG13 ILE A 54 71.641 -26.929 -23.391 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.029 -24.839 -20.307 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.218 -26.225 -19.206 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.607 -25.650 -20.159 1.00 0.00 H new ATOM 0 HD11 ILE A 54 70.884 -24.650 -24.013 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.588 -25.529 -23.168 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.536 -24.294 -22.305 1.00 0.00 H new ATOM 856 N LYS A 55 74.035 -27.799 -22.080 1.00 0.00 N ATOM 857 CA LYS A 55 75.477 -27.573 -22.081 1.00 0.00 C ATOM 858 C LYS A 55 75.774 -26.087 -22.273 1.00 0.00 C ATOM 859 O LYS A 55 75.316 -25.477 -23.239 1.00 0.00 O ATOM 860 CB LYS A 55 76.122 -28.377 -23.212 1.00 0.00 C ATOM 861 CG LYS A 55 75.829 -29.865 -23.010 1.00 0.00 C ATOM 862 CD LYS A 55 76.543 -30.679 -24.091 1.00 0.00 C ATOM 863 CE LYS A 55 76.155 -32.153 -23.957 1.00 0.00 C ATOM 864 NZ LYS A 55 77.237 -33.004 -24.526 1.00 0.00 N ATOM 0 H LYS A 55 73.621 -27.896 -23.007 1.00 0.00 H new ATOM 0 HA LYS A 55 75.889 -27.897 -21.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 75.734 -28.046 -24.175 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.198 -28.206 -23.227 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.163 -30.181 -22.022 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.755 -30.044 -23.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.271 -30.309 -25.079 1.00 0.00 H new ATOM 0 HD3 LYS A 55 77.623 -30.565 -23.994 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.993 -32.404 -22.909 1.00 0.00 H new ATOM 0 HE3 LYS A 55 75.217 -32.342 -24.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 76.974 -34.006 -24.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 77.370 -32.770 -25.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 78.123 -32.830 -24.010 1.00 0.00 H new ATOM 878 N VAL A 56 76.525 -25.503 -21.342 1.00 0.00 N ATOM 879 CA VAL A 56 76.852 -24.080 -21.422 1.00 0.00 C ATOM 880 C VAL A 56 78.346 -23.836 -21.227 1.00 0.00 C ATOM 881 O VAL A 56 79.093 -24.737 -20.843 1.00 0.00 O ATOM 882 CB VAL A 56 76.070 -23.311 -20.358 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.569 -23.506 -20.581 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.448 -23.838 -18.974 1.00 0.00 C ATOM 0 H VAL A 56 76.915 -25.985 -20.532 1.00 0.00 H new ATOM 0 HA VAL A 56 76.576 -23.729 -22.417 1.00 0.00 H new ATOM 0 HB VAL A 56 76.311 -22.250 -20.427 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.014 -22.957 -19.821 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.297 -23.134 -21.569 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.326 -24.566 -20.512 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.892 -23.292 -18.212 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.205 -24.899 -18.910 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.517 -23.700 -18.812 1.00 0.00 H new ATOM 894 N ARG A 57 78.769 -22.599 -21.490 1.00 0.00 N ATOM 895 CA ARG A 57 80.171 -22.217 -21.340 1.00 0.00 C ATOM 896 C ARG A 57 80.291 -21.132 -20.275 1.00 0.00 C ATOM 897 O ARG A 57 79.361 -20.350 -20.078 1.00 0.00 O ATOM 898 CB ARG A 57 80.710 -21.690 -22.671 1.00 0.00 C ATOM 899 CG ARG A 57 79.974 -20.400 -23.042 1.00 0.00 C ATOM 900 CD ARG A 57 80.210 -20.077 -24.520 1.00 0.00 C ATOM 901 NE ARG A 57 79.534 -21.056 -25.364 1.00 0.00 N ATOM 902 CZ ARG A 57 79.327 -20.824 -26.656 1.00 0.00 C ATOM 903 NH1 ARG A 57 79.722 -19.701 -27.190 1.00 0.00 N ATOM 904 NH2 ARG A 57 78.727 -21.720 -27.390 1.00 0.00 N ATOM 0 H ARG A 57 78.160 -21.845 -21.808 1.00 0.00 H new ATOM 0 HA ARG A 57 80.751 -23.089 -21.039 1.00 0.00 H new ATOM 0 HB2 ARG A 57 81.781 -21.501 -22.593 1.00 0.00 H new ATOM 0 HB3 ARG A 57 80.574 -22.437 -23.453 1.00 0.00 H new ATOM 0 HG2 ARG A 57 78.907 -20.511 -22.850 1.00 0.00 H new ATOM 0 HG3 ARG A 57 80.326 -19.577 -22.419 1.00 0.00 H new ATOM 0 HD2 ARG A 57 79.841 -19.076 -24.744 1.00 0.00 H new ATOM 0 HD3 ARG A 57 81.279 -20.078 -24.734 1.00 0.00 H new ATOM 0 HE ARG A 57 79.215 -21.934 -24.955 1.00 0.00 H new ATOM 0 HH11 ARG A 57 80.190 -19.000 -26.616 1.00 0.00 H new ATOM 0 HH12 ARG A 57 79.563 -19.524 -28.182 1.00 0.00 H new ATOM 0 HH21 ARG A 57 78.417 -22.597 -26.972 1.00 0.00 H new ATOM 0 HH22 ARG A 57 78.567 -21.543 -28.382 1.00 0.00 H new ATOM 918 N GLN A 58 81.421 -21.088 -19.569 1.00 0.00 N ATOM 919 CA GLN A 58 81.578 -20.083 -18.521 1.00 0.00 C ATOM 920 C GLN A 58 82.998 -19.536 -18.443 1.00 0.00 C ATOM 921 O GLN A 58 83.955 -20.169 -18.888 1.00 0.00 O ATOM 922 CB GLN A 58 81.199 -20.692 -17.170 1.00 0.00 C ATOM 923 CG GLN A 58 82.150 -21.844 -16.835 1.00 0.00 C ATOM 924 CD GLN A 58 81.825 -22.406 -15.455 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.118 -21.770 -14.673 1.00 0.00 O ATOM 926 NE2 GLN A 58 82.301 -23.571 -15.108 1.00 0.00 N ATOM 0 H GLN A 58 82.216 -21.714 -19.697 1.00 0.00 H new ATOM 0 HA GLN A 58 80.919 -19.251 -18.769 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.247 -19.931 -16.391 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.171 -21.054 -17.199 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.062 -22.629 -17.586 1.00 0.00 H new ATOM 0 HG3 GLN A 58 83.182 -21.493 -16.860 1.00 0.00 H new ATOM 0 HE21 GLN A 58 82.887 -24.097 -15.757 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.087 -23.956 -14.188 1.00 0.00 H new ATOM 935 N TYR A 59 83.112 -18.354 -17.842 1.00 0.00 N ATOM 936 CA TYR A 59 84.403 -17.704 -17.661 1.00 0.00 C ATOM 937 C TYR A 59 84.653 -17.499 -16.170 1.00 0.00 C ATOM 938 O TYR A 59 83.761 -17.060 -15.444 1.00 0.00 O ATOM 939 CB TYR A 59 84.410 -16.363 -18.389 1.00 0.00 C ATOM 940 CG TYR A 59 84.354 -16.599 -19.878 1.00 0.00 C ATOM 941 CD1 TYR A 59 85.537 -16.766 -20.607 1.00 0.00 C ATOM 942 CD2 TYR A 59 83.116 -16.650 -20.529 1.00 0.00 C ATOM 943 CE1 TYR A 59 85.482 -16.986 -21.988 1.00 0.00 C ATOM 944 CE2 TYR A 59 83.060 -16.870 -21.910 1.00 0.00 C ATOM 945 CZ TYR A 59 84.244 -17.037 -22.639 1.00 0.00 C ATOM 946 OH TYR A 59 84.188 -17.253 -24.001 1.00 0.00 O ATOM 0 H TYR A 59 82.321 -17.827 -17.472 1.00 0.00 H new ATOM 0 HA TYR A 59 85.194 -18.329 -18.075 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.558 -15.761 -18.073 1.00 0.00 H new ATOM 0 HB3 TYR A 59 85.309 -15.802 -18.132 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.492 -16.725 -20.104 1.00 0.00 H new ATOM 0 HD2 TYR A 59 82.204 -16.520 -19.966 1.00 0.00 H new ATOM 0 HE1 TYR A 59 86.394 -17.116 -22.551 1.00 0.00 H new ATOM 0 HE2 TYR A 59 82.105 -16.911 -22.413 1.00 0.00 H new ATOM 0 HH TYR A 59 84.486 -16.447 -24.473 1.00 0.00 H new ATOM 956 N ASP A 60 85.844 -17.859 -15.706 1.00 0.00 N ATOM 957 CA ASP A 60 86.153 -17.748 -14.283 1.00 0.00 C ATOM 958 C ASP A 60 86.902 -16.467 -13.917 1.00 0.00 C ATOM 959 O ASP A 60 87.284 -16.298 -12.758 1.00 0.00 O ATOM 960 CB ASP A 60 86.991 -18.951 -13.851 1.00 0.00 C ATOM 961 CG ASP A 60 86.163 -20.227 -13.948 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.957 -20.117 -14.097 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.747 -21.295 -13.872 1.00 0.00 O ATOM 0 H ASP A 60 86.602 -18.225 -16.283 1.00 0.00 H new ATOM 0 HA ASP A 60 85.197 -17.719 -13.760 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.876 -19.033 -14.482 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.341 -18.812 -12.828 1.00 0.00 H new ATOM 968 N GLN A 61 87.131 -15.564 -14.867 1.00 0.00 N ATOM 969 CA GLN A 61 87.855 -14.338 -14.536 1.00 0.00 C ATOM 970 C GLN A 61 87.282 -13.127 -15.272 1.00 0.00 C ATOM 971 O GLN A 61 88.008 -12.418 -15.970 1.00 0.00 O ATOM 972 CB GLN A 61 89.334 -14.498 -14.894 1.00 0.00 C ATOM 973 CG GLN A 61 90.145 -13.368 -14.254 1.00 0.00 C ATOM 974 CD GLN A 61 90.409 -13.686 -12.786 1.00 0.00 C ATOM 975 OE1 GLN A 61 90.277 -12.813 -11.928 1.00 0.00 O ATOM 976 NE2 GLN A 61 90.781 -14.889 -12.446 1.00 0.00 N ATOM 0 H GLN A 61 86.838 -15.650 -15.840 1.00 0.00 H new ATOM 0 HA GLN A 61 87.745 -14.166 -13.465 1.00 0.00 H new ATOM 0 HB2 GLN A 61 89.700 -15.464 -14.546 1.00 0.00 H new ATOM 0 HB3 GLN A 61 89.460 -14.481 -15.977 1.00 0.00 H new ATOM 0 HG2 GLN A 61 91.089 -13.241 -14.783 1.00 0.00 H new ATOM 0 HG3 GLN A 61 89.603 -12.426 -14.339 1.00 0.00 H new ATOM 0 HE21 GLN A 61 90.889 -15.610 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 61 90.963 -15.109 -11.467 1.00 0.00 H new ATOM 985 N ILE A 62 85.983 -12.891 -15.120 1.00 0.00 N ATOM 986 CA ILE A 62 85.344 -11.758 -15.785 1.00 0.00 C ATOM 987 C ILE A 62 85.101 -10.618 -14.805 1.00 0.00 C ATOM 988 O ILE A 62 84.838 -10.843 -13.623 1.00 0.00 O ATOM 989 CB ILE A 62 84.005 -12.178 -16.394 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.204 -13.386 -17.310 1.00 0.00 C ATOM 991 CG2 ILE A 62 83.428 -11.016 -17.205 1.00 0.00 C ATOM 992 CD1 ILE A 62 85.332 -13.108 -18.308 1.00 0.00 C ATOM 0 H ILE A 62 85.358 -13.460 -14.550 1.00 0.00 H new ATOM 0 HA ILE A 62 86.016 -11.419 -16.573 1.00 0.00 H new ATOM 0 HB ILE A 62 83.316 -12.445 -15.593 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.443 -14.268 -16.715 1.00 0.00 H new ATOM 0 HG13 ILE A 62 83.279 -13.603 -17.845 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.474 -11.314 -17.640 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.277 -10.156 -16.552 1.00 0.00 H new ATOM 0 HG23 ILE A 62 84.122 -10.749 -18.002 1.00 0.00 H new ATOM 0 HD11 ILE A 62 85.466 -13.974 -18.956 1.00 0.00 H new ATOM 0 HD12 ILE A 62 85.076 -12.238 -18.913 1.00 0.00 H new ATOM 0 HD13 ILE A 62 86.258 -12.913 -17.766 1.00 0.00 H new ATOM 1004 N ILE A 63 85.187 -9.391 -15.310 1.00 0.00 N ATOM 1005 CA ILE A 63 84.969 -8.218 -14.477 1.00 0.00 C ATOM 1006 C ILE A 63 83.756 -7.438 -14.975 1.00 0.00 C ATOM 1007 O ILE A 63 83.616 -7.188 -16.172 1.00 0.00 O ATOM 1008 CB ILE A 63 86.207 -7.321 -14.505 1.00 0.00 C ATOM 1009 CG1 ILE A 63 85.967 -6.096 -13.621 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.474 -6.866 -15.941 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.302 -5.405 -13.336 1.00 0.00 C ATOM 0 H ILE A 63 85.405 -9.186 -16.285 1.00 0.00 H new ATOM 0 HA ILE A 63 84.785 -8.544 -13.453 1.00 0.00 H new ATOM 0 HB ILE A 63 87.068 -7.877 -14.133 1.00 0.00 H new ATOM 0 HG12 ILE A 63 85.286 -5.404 -14.116 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.493 -6.396 -12.686 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.356 -6.226 -15.962 1.00 0.00 H new ATOM 0 HG22 ILE A 63 86.642 -7.738 -16.573 1.00 0.00 H new ATOM 0 HG23 ILE A 63 85.614 -6.309 -16.312 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.133 -4.532 -12.706 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.968 -6.098 -12.823 1.00 0.00 H new ATOM 0 HD13 ILE A 63 87.757 -5.092 -14.275 1.00 0.00 H new ATOM 1023 N ILE A 64 82.878 -7.065 -14.050 1.00 0.00 N ATOM 1024 CA ILE A 64 81.673 -6.323 -14.404 1.00 0.00 C ATOM 1025 C ILE A 64 81.648 -4.968 -13.703 1.00 0.00 C ATOM 1026 O ILE A 64 82.090 -4.845 -12.562 1.00 0.00 O ATOM 1027 CB ILE A 64 80.435 -7.131 -14.010 1.00 0.00 C ATOM 1028 CG1 ILE A 64 80.504 -8.513 -14.661 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.176 -6.408 -14.491 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.323 -9.362 -14.187 1.00 0.00 C ATOM 0 H ILE A 64 82.977 -7.263 -13.054 1.00 0.00 H new ATOM 0 HA ILE A 64 81.672 -6.156 -15.481 1.00 0.00 H new ATOM 0 HB ILE A 64 80.401 -7.237 -12.926 1.00 0.00 H new ATOM 0 HG12 ILE A 64 80.483 -8.416 -15.747 1.00 0.00 H new ATOM 0 HG13 ILE A 64 81.443 -9.002 -14.402 1.00 0.00 H new ATOM 0 HG21 ILE A 64 78.295 -6.985 -14.210 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.125 -5.421 -14.031 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.209 -6.302 -15.575 1.00 0.00 H new ATOM 0 HD11 ILE A 64 79.373 -10.347 -14.652 1.00 0.00 H new ATOM 0 HD12 ILE A 64 79.364 -9.470 -13.103 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.389 -8.875 -14.468 1.00 0.00 H new ATOM 1042 N GLU A 65 81.117 -3.957 -14.388 1.00 0.00 N ATOM 1043 CA GLU A 65 81.033 -2.624 -13.804 1.00 0.00 C ATOM 1044 C GLU A 65 79.588 -2.299 -13.437 1.00 0.00 C ATOM 1045 O GLU A 65 78.718 -2.205 -14.304 1.00 0.00 O ATOM 1046 CB GLU A 65 81.568 -1.577 -14.784 1.00 0.00 C ATOM 1047 CG GLU A 65 83.054 -1.837 -15.045 1.00 0.00 C ATOM 1048 CD GLU A 65 83.224 -2.898 -16.127 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.219 -3.365 -16.637 1.00 0.00 O ATOM 1050 OE2 GLU A 65 84.358 -3.229 -16.432 1.00 0.00 O ATOM 0 H GLU A 65 80.744 -4.035 -15.334 1.00 0.00 H new ATOM 0 HA GLU A 65 81.642 -2.604 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.010 -1.620 -15.719 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.429 -0.576 -14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.543 -0.913 -15.352 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.540 -2.164 -14.126 1.00 0.00 H new ATOM 1057 N ILE A 66 79.347 -2.131 -12.140 1.00 0.00 N ATOM 1058 CA ILE A 66 78.010 -1.818 -11.652 1.00 0.00 C ATOM 1059 C ILE A 66 78.037 -0.594 -10.740 1.00 0.00 C ATOM 1060 O ILE A 66 78.863 -0.504 -9.833 1.00 0.00 O ATOM 1061 CB ILE A 66 77.443 -3.013 -10.886 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.447 -4.244 -11.796 1.00 0.00 C ATOM 1063 CG2 ILE A 66 76.009 -2.707 -10.449 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.073 -5.485 -10.984 1.00 0.00 C ATOM 0 H ILE A 66 80.057 -2.206 -11.412 1.00 0.00 H new ATOM 0 HA ILE A 66 77.376 -1.599 -12.511 1.00 0.00 H new ATOM 0 HB ILE A 66 78.056 -3.206 -10.005 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.740 -4.106 -12.614 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.432 -4.374 -12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.605 -3.560 -9.903 1.00 0.00 H new ATOM 0 HG22 ILE A 66 76.005 -1.828 -9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.394 -2.515 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.077 -6.360 -11.634 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.797 -5.626 -10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 66 76.079 -5.354 -10.557 1.00 0.00 H new ATOM 1076 N ALA A 67 77.124 0.340 -10.982 1.00 0.00 N ATOM 1077 CA ALA A 67 77.052 1.547 -10.167 1.00 0.00 C ATOM 1078 C ALA A 67 78.419 2.217 -10.066 1.00 0.00 C ATOM 1079 O ALA A 67 78.768 2.779 -9.029 1.00 0.00 O ATOM 1080 CB ALA A 67 76.547 1.200 -8.766 1.00 0.00 C ATOM 0 H ALA A 67 76.430 0.286 -11.728 1.00 0.00 H new ATOM 0 HA ALA A 67 76.359 2.240 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.496 2.106 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.555 0.755 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.230 0.491 -8.298 1.00 0.00 H new ATOM 1086 N GLY A 68 79.182 2.167 -11.152 1.00 0.00 N ATOM 1087 CA GLY A 68 80.501 2.788 -11.176 1.00 0.00 C ATOM 1088 C GLY A 68 81.517 1.993 -10.360 1.00 0.00 C ATOM 1089 O GLY A 68 82.587 2.504 -10.031 1.00 0.00 O ATOM 0 H GLY A 68 78.913 1.706 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.846 2.869 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.432 3.802 -10.782 1.00 0.00 H new ATOM 1093 N HIS A 69 81.183 0.747 -10.029 1.00 0.00 N ATOM 1094 CA HIS A 69 82.090 -0.088 -9.246 1.00 0.00 C ATOM 1095 C HIS A 69 82.475 -1.347 -10.017 1.00 0.00 C ATOM 1096 O HIS A 69 81.637 -1.968 -10.672 1.00 0.00 O ATOM 1097 CB HIS A 69 81.427 -0.478 -7.924 1.00 0.00 C ATOM 1098 CG HIS A 69 81.134 0.764 -7.128 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.110 1.707 -6.846 1.00 0.00 N ATOM 1100 CD2 HIS A 69 79.982 1.231 -6.544 1.00 0.00 C ATOM 1101 CE1 HIS A 69 81.532 2.686 -6.125 1.00 0.00 C ATOM 1102 NE2 HIS A 69 80.236 2.444 -5.912 1.00 0.00 N ATOM 0 H HIS A 69 80.304 0.299 -10.287 1.00 0.00 H new ATOM 0 HA HIS A 69 82.995 0.486 -9.046 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.505 -1.027 -8.115 1.00 0.00 H new ATOM 0 HB3 HIS A 69 82.081 -1.141 -7.358 1.00 0.00 H new ATOM 0 HD2 HIS A 69 79.024 0.732 -6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 69 82.053 3.560 -5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 69 79.574 3.024 -5.396 1.00 0.00 H new ATOM 1111 N LYS A 70 83.751 -1.714 -9.938 1.00 0.00 N ATOM 1112 CA LYS A 70 84.246 -2.895 -10.636 1.00 0.00 C ATOM 1113 C LYS A 70 84.100 -4.146 -9.769 1.00 0.00 C ATOM 1114 O LYS A 70 84.547 -4.172 -8.623 1.00 0.00 O ATOM 1115 CB LYS A 70 85.723 -2.699 -10.990 1.00 0.00 C ATOM 1116 CG LYS A 70 85.875 -1.476 -11.896 1.00 0.00 C ATOM 1117 CD LYS A 70 87.338 -1.333 -12.323 1.00 0.00 C ATOM 1118 CE LYS A 70 87.518 -0.028 -13.101 1.00 0.00 C ATOM 1119 NZ LYS A 70 88.428 -0.260 -14.258 1.00 0.00 N ATOM 0 H LYS A 70 84.458 -1.213 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 70 83.656 -3.028 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.311 -2.567 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.108 -3.586 -11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.238 -1.580 -12.774 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.550 -0.578 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.986 -1.338 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.632 -2.181 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 70 86.552 0.335 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 70 87.930 0.742 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.550 0.627 -14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.353 -0.587 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.017 -0.982 -14.884 1.00 0.00 H new ATOM 1133 N ALA A 71 83.479 -5.183 -10.329 1.00 0.00 N ATOM 1134 CA ALA A 71 83.289 -6.437 -9.602 1.00 0.00 C ATOM 1135 C ALA A 71 83.964 -7.586 -10.348 1.00 0.00 C ATOM 1136 O ALA A 71 83.854 -7.688 -11.568 1.00 0.00 O ATOM 1137 CB ALA A 71 81.797 -6.734 -9.450 1.00 0.00 C ATOM 0 H ALA A 71 83.101 -5.180 -11.277 1.00 0.00 H new ATOM 0 HA ALA A 71 83.739 -6.338 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 71 81.666 -7.670 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.319 -5.924 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.341 -6.819 -10.436 1.00 0.00 H new ATOM 1143 N ILE A 72 84.659 -8.449 -9.610 1.00 0.00 N ATOM 1144 CA ILE A 72 85.341 -9.583 -10.225 1.00 0.00 C ATOM 1145 C ILE A 72 84.842 -10.902 -9.639 1.00 0.00 C ATOM 1146 O ILE A 72 84.786 -11.068 -8.420 1.00 0.00 O ATOM 1147 CB ILE A 72 86.849 -9.464 -10.001 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.342 -8.128 -10.562 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.567 -10.611 -10.715 1.00 0.00 C ATOM 1150 CD1 ILE A 72 88.829 -7.954 -10.241 1.00 0.00 C ATOM 0 H ILE A 72 84.764 -8.386 -8.597 1.00 0.00 H new ATOM 0 HA ILE A 72 85.125 -9.573 -11.293 1.00 0.00 H new ATOM 0 HB ILE A 72 87.061 -9.513 -8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.186 -8.095 -11.640 1.00 0.00 H new ATOM 0 HG13 ILE A 72 86.768 -7.307 -10.132 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.642 -10.524 -10.554 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.216 -11.563 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.355 -10.564 -11.783 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.179 -7.002 -10.641 1.00 0.00 H new ATOM 0 HD12 ILE A 72 88.972 -7.968 -9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.396 -8.768 -10.693 1.00 0.00 H new ATOM 1162 N GLY A 73 84.484 -11.839 -10.512 1.00 0.00 N ATOM 1163 CA GLY A 73 83.997 -13.139 -10.060 1.00 0.00 C ATOM 1164 C GLY A 73 83.650 -14.043 -11.240 1.00 0.00 C ATOM 1165 O GLY A 73 83.799 -13.656 -12.399 1.00 0.00 O ATOM 0 H GLY A 73 84.521 -11.725 -11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.756 -13.619 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.116 -13.002 -9.433 1.00 0.00 H new ATOM 1169 N THR A 74 83.185 -15.250 -10.931 1.00 0.00 N ATOM 1170 CA THR A 74 82.812 -16.211 -11.964 1.00 0.00 C ATOM 1171 C THR A 74 81.465 -15.837 -12.573 1.00 0.00 C ATOM 1172 O THR A 74 80.567 -15.373 -11.872 1.00 0.00 O ATOM 1173 CB THR A 74 82.735 -17.618 -11.366 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.985 -17.949 -10.776 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.404 -18.626 -12.467 1.00 0.00 C ATOM 0 H THR A 74 83.058 -15.585 -9.976 1.00 0.00 H new ATOM 0 HA THR A 74 83.571 -16.194 -12.746 1.00 0.00 H new ATOM 0 HB THR A 74 81.955 -17.648 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.937 -18.849 -10.391 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.350 -19.627 -12.039 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.445 -18.371 -12.917 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.182 -18.599 -13.230 1.00 0.00 H new ATOM 1183 N VAL A 75 81.328 -16.042 -13.880 1.00 0.00 N ATOM 1184 CA VAL A 75 80.075 -15.717 -14.553 1.00 0.00 C ATOM 1185 C VAL A 75 79.699 -16.784 -15.579 1.00 0.00 C ATOM 1186 O VAL A 75 80.312 -16.883 -16.646 1.00 0.00 O ATOM 1187 CB VAL A 75 80.198 -14.361 -15.249 1.00 0.00 C ATOM 1188 CG1 VAL A 75 78.872 -14.013 -15.929 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.535 -13.286 -14.213 1.00 0.00 C ATOM 0 H VAL A 75 82.055 -16.425 -14.485 1.00 0.00 H new ATOM 0 HA VAL A 75 79.289 -15.678 -13.798 1.00 0.00 H new ATOM 0 HB VAL A 75 80.989 -14.408 -15.997 1.00 0.00 H new ATOM 0 HG11 VAL A 75 78.960 -13.046 -16.425 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.629 -14.778 -16.666 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.081 -13.966 -15.181 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.623 -12.319 -14.708 1.00 0.00 H new ATOM 0 HG22 VAL A 75 79.743 -13.240 -13.465 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.479 -13.532 -13.727 1.00 0.00 H new ATOM 1199 N LEU A 76 78.699 -17.592 -15.235 1.00 0.00 N ATOM 1200 CA LEU A 76 78.250 -18.662 -16.119 1.00 0.00 C ATOM 1201 C LEU A 76 77.525 -18.083 -17.332 1.00 0.00 C ATOM 1202 O LEU A 76 76.513 -17.393 -17.194 1.00 0.00 O ATOM 1203 CB LEU A 76 77.297 -19.589 -15.356 1.00 0.00 C ATOM 1204 CG LEU A 76 77.039 -20.861 -16.174 1.00 0.00 C ATOM 1205 CD1 LEU A 76 78.095 -21.924 -15.848 1.00 0.00 C ATOM 1206 CD2 LEU A 76 75.651 -21.409 -15.831 1.00 0.00 C ATOM 0 H LEU A 76 78.187 -17.526 -14.355 1.00 0.00 H new ATOM 0 HA LEU A 76 79.120 -19.222 -16.461 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.726 -19.849 -14.388 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.356 -19.075 -15.160 1.00 0.00 H new ATOM 0 HG LEU A 76 77.093 -20.618 -17.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.901 -22.822 -16.435 1.00 0.00 H new ATOM 0 HD12 LEU A 76 79.086 -21.539 -16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 76 78.050 -22.168 -14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 76 75.463 -22.313 -16.410 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.605 -21.643 -14.767 1.00 0.00 H new ATOM 0 HD23 LEU A 76 74.895 -20.661 -16.071 1.00 0.00 H new ATOM 1218 N VAL A 77 78.057 -18.360 -18.517 1.00 0.00 N ATOM 1219 CA VAL A 77 77.459 -17.854 -19.748 1.00 0.00 C ATOM 1220 C VAL A 77 76.657 -18.946 -20.448 1.00 0.00 C ATOM 1221 O VAL A 77 77.152 -20.054 -20.667 1.00 0.00 O ATOM 1222 CB VAL A 77 78.557 -17.341 -20.681 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.920 -16.719 -21.926 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.392 -16.284 -19.955 1.00 0.00 C ATOM 0 H VAL A 77 78.894 -18.927 -18.652 1.00 0.00 H new ATOM 0 HA VAL A 77 76.783 -17.037 -19.495 1.00 0.00 H new ATOM 0 HB VAL A 77 79.198 -18.171 -20.976 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.702 -16.353 -22.591 1.00 0.00 H new ATOM 0 HG12 VAL A 77 77.325 -17.471 -22.445 1.00 0.00 H new ATOM 0 HG13 VAL A 77 77.278 -15.889 -21.630 1.00 0.00 H new ATOM 0 HG21 VAL A 77 80.174 -15.919 -20.620 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.751 -15.454 -19.659 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.847 -16.726 -19.068 1.00 0.00 H new ATOM 1234 N GLY A 78 75.412 -18.626 -20.796 1.00 0.00 N ATOM 1235 CA GLY A 78 74.545 -19.588 -21.467 1.00 0.00 C ATOM 1236 C GLY A 78 73.727 -18.916 -22.569 1.00 0.00 C ATOM 1237 O GLY A 78 73.758 -17.695 -22.724 1.00 0.00 O ATOM 0 H GLY A 78 74.985 -17.715 -20.626 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.148 -20.389 -21.894 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.874 -20.047 -20.740 1.00 0.00 H new ATOM 1241 N PRO A 79 73.009 -19.696 -23.334 1.00 0.00 N ATOM 1242 CA PRO A 79 72.165 -19.186 -24.459 1.00 0.00 C ATOM 1243 C PRO A 79 71.072 -18.223 -23.994 1.00 0.00 C ATOM 1244 O PRO A 79 70.536 -17.455 -24.791 1.00 0.00 O ATOM 1245 CB PRO A 79 71.553 -20.451 -25.074 1.00 0.00 C ATOM 1246 CG PRO A 79 71.692 -21.515 -24.035 1.00 0.00 C ATOM 1247 CD PRO A 79 72.922 -21.155 -23.207 1.00 0.00 C ATOM 0 HA PRO A 79 72.759 -18.607 -25.167 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.506 -20.293 -25.334 1.00 0.00 H new ATOM 0 HB3 PRO A 79 72.071 -20.730 -25.992 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.802 -21.563 -23.407 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.809 -22.495 -24.497 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.809 -21.461 -22.167 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.819 -21.645 -23.587 1.00 0.00 H new ATOM 1255 N THR A 80 70.744 -18.272 -22.705 1.00 0.00 N ATOM 1256 CA THR A 80 69.708 -17.403 -22.152 1.00 0.00 C ATOM 1257 C THR A 80 69.780 -16.008 -22.784 1.00 0.00 C ATOM 1258 O THR A 80 70.623 -15.197 -22.403 1.00 0.00 O ATOM 1259 CB THR A 80 69.903 -17.278 -20.639 1.00 0.00 C ATOM 1260 OG1 THR A 80 69.202 -16.137 -20.166 1.00 0.00 O ATOM 1261 CG2 THR A 80 71.393 -17.131 -20.323 1.00 0.00 C ATOM 0 H THR A 80 71.177 -18.900 -22.028 1.00 0.00 H new ATOM 0 HA THR A 80 68.734 -17.840 -22.370 1.00 0.00 H new ATOM 0 HB THR A 80 69.518 -18.172 -20.148 1.00 0.00 H new ATOM 0 HG1 THR A 80 69.778 -15.347 -20.236 1.00 0.00 H new ATOM 0 HG21 THR A 80 71.529 -17.042 -19.245 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.930 -18.007 -20.686 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.782 -16.239 -20.813 1.00 0.00 H new ATOM 1269 N PRO A 81 68.921 -15.709 -23.737 1.00 0.00 N ATOM 1270 CA PRO A 81 68.910 -14.376 -24.416 1.00 0.00 C ATOM 1271 C PRO A 81 68.779 -13.215 -23.433 1.00 0.00 C ATOM 1272 O PRO A 81 68.819 -12.050 -23.828 1.00 0.00 O ATOM 1273 CB PRO A 81 67.691 -14.433 -25.342 1.00 0.00 C ATOM 1274 CG PRO A 81 67.397 -15.883 -25.536 1.00 0.00 C ATOM 1275 CD PRO A 81 67.871 -16.596 -24.273 1.00 0.00 C ATOM 0 HA PRO A 81 69.846 -14.196 -24.944 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.839 -13.917 -24.899 1.00 0.00 H new ATOM 0 HB3 PRO A 81 67.900 -13.945 -26.294 1.00 0.00 H new ATOM 0 HG2 PRO A 81 66.331 -16.044 -25.695 1.00 0.00 H new ATOM 0 HG3 PRO A 81 67.913 -16.269 -26.415 1.00 0.00 H new ATOM 0 HD2 PRO A 81 67.057 -16.728 -23.560 1.00 0.00 H new ATOM 0 HD3 PRO A 81 68.263 -17.588 -24.497 1.00 0.00 H new ATOM 1283 N VAL A 82 68.600 -13.536 -22.155 1.00 0.00 N ATOM 1284 CA VAL A 82 68.440 -12.502 -21.136 1.00 0.00 C ATOM 1285 C VAL A 82 69.640 -12.458 -20.190 1.00 0.00 C ATOM 1286 O VAL A 82 70.536 -13.304 -20.251 1.00 0.00 O ATOM 1287 CB VAL A 82 67.167 -12.765 -20.332 1.00 0.00 C ATOM 1288 CG1 VAL A 82 66.450 -11.441 -20.057 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.242 -13.685 -21.133 1.00 0.00 C ATOM 0 H VAL A 82 68.562 -14.492 -21.802 1.00 0.00 H new ATOM 0 HA VAL A 82 68.370 -11.539 -21.642 1.00 0.00 H new ATOM 0 HB VAL A 82 67.428 -13.239 -19.386 1.00 0.00 H new ATOM 0 HG11 VAL A 82 65.543 -11.631 -19.484 1.00 0.00 H new ATOM 0 HG12 VAL A 82 67.107 -10.783 -19.489 1.00 0.00 H new ATOM 0 HG13 VAL A 82 66.189 -10.965 -21.002 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.333 -13.874 -20.562 1.00 0.00 H new ATOM 0 HG22 VAL A 82 65.984 -13.208 -22.078 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.750 -14.629 -21.330 1.00 0.00 H new ATOM 1299 N ASN A 83 69.646 -11.455 -19.316 1.00 0.00 N ATOM 1300 CA ASN A 83 70.728 -11.295 -18.350 1.00 0.00 C ATOM 1301 C ASN A 83 70.162 -11.199 -16.933 1.00 0.00 C ATOM 1302 O ASN A 83 69.338 -10.331 -16.644 1.00 0.00 O ATOM 1303 CB ASN A 83 71.537 -10.034 -18.666 1.00 0.00 C ATOM 1304 CG ASN A 83 71.906 -10.006 -20.146 1.00 0.00 C ATOM 1305 OD1 ASN A 83 71.813 -8.962 -20.790 1.00 0.00 O ATOM 1306 ND2 ASN A 83 72.316 -11.100 -20.728 1.00 0.00 N ATOM 0 H ASN A 83 68.917 -10.744 -19.257 1.00 0.00 H new ATOM 0 HA ASN A 83 71.381 -12.165 -18.415 1.00 0.00 H new ATOM 0 HB2 ASN A 83 70.957 -9.147 -18.411 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.441 -10.010 -18.057 1.00 0.00 H new ATOM 0 HD21 ASN A 83 72.560 -11.090 -21.718 1.00 0.00 H new ATOM 0 HD22 ASN A 83 72.393 -11.965 -20.192 1.00 0.00 H new ATOM 1313 N ILE A 84 70.611 -12.089 -16.051 1.00 0.00 N ATOM 1314 CA ILE A 84 70.141 -12.081 -14.669 1.00 0.00 C ATOM 1315 C ILE A 84 71.311 -12.203 -13.693 1.00 0.00 C ATOM 1316 O ILE A 84 72.275 -12.927 -13.949 1.00 0.00 O ATOM 1317 CB ILE A 84 69.137 -13.219 -14.441 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.607 -13.153 -13.007 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.814 -14.571 -14.671 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.342 -14.005 -12.893 1.00 0.00 C ATOM 0 H ILE A 84 71.292 -12.817 -16.266 1.00 0.00 H new ATOM 0 HA ILE A 84 69.642 -11.129 -14.485 1.00 0.00 H new ATOM 0 HB ILE A 84 68.311 -13.110 -15.144 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.365 -13.512 -12.311 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.389 -12.120 -12.735 1.00 0.00 H new ATOM 0 HG21 ILE A 84 69.093 -15.372 -14.507 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.186 -14.622 -15.694 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.646 -14.684 -13.976 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.963 -13.959 -11.872 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.584 -13.625 -13.579 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.576 -15.039 -13.147 1.00 0.00 H new ATOM 1332 N ILE A 85 71.220 -11.490 -12.573 1.00 0.00 N ATOM 1333 CA ILE A 85 72.276 -11.526 -11.566 1.00 0.00 C ATOM 1334 C ILE A 85 71.740 -12.074 -10.247 1.00 0.00 C ATOM 1335 O ILE A 85 70.560 -11.913 -9.931 1.00 0.00 O ATOM 1336 CB ILE A 85 72.850 -10.120 -11.361 1.00 0.00 C ATOM 1337 CG1 ILE A 85 71.770 -9.198 -10.784 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.326 -9.565 -12.703 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.364 -7.809 -10.536 1.00 0.00 C ATOM 0 H ILE A 85 70.432 -10.885 -12.341 1.00 0.00 H new ATOM 0 HA ILE A 85 73.069 -12.187 -11.916 1.00 0.00 H new ATOM 0 HB ILE A 85 73.689 -10.172 -10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 85 70.930 -9.128 -11.475 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.383 -9.612 -9.853 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.735 -8.565 -12.559 1.00 0.00 H new ATOM 0 HG22 ILE A 85 74.098 -10.217 -13.113 1.00 0.00 H new ATOM 0 HG23 ILE A 85 72.486 -9.517 -13.396 1.00 0.00 H new ATOM 0 HD11 ILE A 85 71.596 -7.153 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 85 73.190 -7.887 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 85 72.729 -7.396 -11.476 1.00 0.00 H new ATOM 1351 N GLY A 86 72.611 -12.732 -9.487 1.00 0.00 N ATOM 1352 CA GLY A 86 72.210 -13.315 -8.212 1.00 0.00 C ATOM 1353 C GLY A 86 72.699 -12.489 -7.025 1.00 0.00 C ATOM 1354 O GLY A 86 73.367 -11.463 -7.186 1.00 0.00 O ATOM 0 H GLY A 86 73.591 -12.874 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 86 71.123 -13.394 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.606 -14.328 -8.136 1.00 0.00 H new ATOM 1358 N ARG A 87 72.356 -12.955 -5.828 1.00 0.00 N ATOM 1359 CA ARG A 87 72.753 -12.274 -4.604 1.00 0.00 C ATOM 1360 C ARG A 87 74.270 -12.217 -4.475 1.00 0.00 C ATOM 1361 O ARG A 87 74.807 -11.359 -3.776 1.00 0.00 O ATOM 1362 CB ARG A 87 72.165 -12.987 -3.384 1.00 0.00 C ATOM 1363 CG ARG A 87 70.643 -12.845 -3.388 1.00 0.00 C ATOM 1364 CD ARG A 87 70.080 -13.397 -2.077 1.00 0.00 C ATOM 1365 NE ARG A 87 70.532 -12.585 -0.954 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.938 -12.663 0.233 1.00 0.00 C ATOM 1367 NH1 ARG A 87 68.933 -13.478 0.407 1.00 0.00 N ATOM 1368 NH2 ARG A 87 70.362 -11.926 1.224 1.00 0.00 N ATOM 0 H ARG A 87 71.805 -13.801 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 87 72.368 -11.255 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.442 -14.041 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.577 -12.562 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.364 -11.798 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 87 70.218 -13.384 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 87 68.991 -13.404 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.401 -14.430 -1.941 1.00 0.00 H new ATOM 0 HE ARG A 87 71.317 -11.946 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 87 68.604 -14.054 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.477 -13.538 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 87 71.148 -11.291 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.907 -11.985 2.135 1.00 0.00 H new ATOM 1382 N ASN A 88 74.960 -13.132 -5.149 1.00 0.00 N ATOM 1383 CA ASN A 88 76.415 -13.156 -5.086 1.00 0.00 C ATOM 1384 C ASN A 88 76.980 -11.802 -5.492 1.00 0.00 C ATOM 1385 O ASN A 88 77.870 -11.266 -4.831 1.00 0.00 O ATOM 1386 CB ASN A 88 76.965 -14.239 -6.016 1.00 0.00 C ATOM 1387 CG ASN A 88 78.444 -14.474 -5.724 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.897 -14.260 -4.600 1.00 0.00 O ATOM 1389 ND2 ASN A 88 79.227 -14.904 -6.676 1.00 0.00 N ATOM 0 H ASN A 88 74.543 -13.855 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 88 76.714 -13.377 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 88 76.407 -15.165 -5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.834 -13.938 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 88 80.217 -15.063 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.849 -15.081 -7.607 1.00 0.00 H new ATOM 1396 N LEU A 89 76.448 -11.244 -6.576 1.00 0.00 N ATOM 1397 CA LEU A 89 76.900 -9.942 -7.048 1.00 0.00 C ATOM 1398 C LEU A 89 76.365 -8.833 -6.151 1.00 0.00 C ATOM 1399 O LEU A 89 77.079 -7.881 -5.835 1.00 0.00 O ATOM 1400 CB LEU A 89 76.436 -9.707 -8.486 1.00 0.00 C ATOM 1401 CG LEU A 89 77.336 -10.484 -9.447 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.481 -11.926 -8.959 1.00 0.00 C ATOM 1403 CD2 LEU A 89 76.713 -10.480 -10.845 1.00 0.00 C ATOM 0 H LEU A 89 75.711 -11.669 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 89 77.989 -9.928 -7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.401 -10.027 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.469 -8.643 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 89 78.318 -10.013 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.123 -12.479 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 89 77.925 -11.930 -7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 89 76.499 -12.398 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.354 -11.034 -11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 89 75.731 -10.951 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 89 76.610 -9.453 -11.194 1.00 0.00 H new ATOM 1415 N LEU A 90 75.102 -8.955 -5.745 1.00 0.00 N ATOM 1416 CA LEU A 90 74.498 -7.940 -4.887 1.00 0.00 C ATOM 1417 C LEU A 90 75.238 -7.857 -3.554 1.00 0.00 C ATOM 1418 O LEU A 90 75.474 -6.766 -3.034 1.00 0.00 O ATOM 1419 CB LEU A 90 73.026 -8.266 -4.631 1.00 0.00 C ATOM 1420 CG LEU A 90 72.294 -8.438 -5.965 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.811 -8.712 -5.702 1.00 0.00 C ATOM 1422 CD2 LEU A 90 72.433 -7.158 -6.793 1.00 0.00 C ATOM 0 H LEU A 90 74.488 -9.731 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 90 74.570 -6.979 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.943 -9.178 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.563 -7.468 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 90 72.729 -9.275 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.290 -8.834 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.708 -9.622 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.378 -7.874 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.912 -7.281 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.998 -6.322 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 90 73.488 -6.959 -6.981 1.00 0.00 H new ATOM 1434 N THR A 91 75.602 -9.014 -3.007 1.00 0.00 N ATOM 1435 CA THR A 91 76.315 -9.054 -1.735 1.00 0.00 C ATOM 1436 C THR A 91 77.641 -8.310 -1.846 1.00 0.00 C ATOM 1437 O THR A 91 78.044 -7.596 -0.927 1.00 0.00 O ATOM 1438 CB THR A 91 76.571 -10.506 -1.326 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.340 -11.214 -1.306 1.00 0.00 O ATOM 1440 CG2 THR A 91 77.205 -10.542 0.066 1.00 0.00 C ATOM 0 H THR A 91 75.417 -9.928 -3.421 1.00 0.00 H new ATOM 0 HA THR A 91 75.701 -8.569 -0.976 1.00 0.00 H new ATOM 0 HB THR A 91 77.247 -10.972 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 91 75.208 -11.666 -2.166 1.00 0.00 H new ATOM 0 HG21 THR A 91 77.387 -11.577 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 91 78.150 -9.998 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 91 76.531 -10.077 0.785 1.00 0.00 H new ATOM 1448 N GLN A 92 78.312 -8.481 -2.980 1.00 0.00 N ATOM 1449 CA GLN A 92 79.589 -7.819 -3.207 1.00 0.00 C ATOM 1450 C GLN A 92 79.437 -6.310 -3.047 1.00 0.00 C ATOM 1451 O GLN A 92 80.317 -5.640 -2.508 1.00 0.00 O ATOM 1452 CB GLN A 92 80.097 -8.139 -4.615 1.00 0.00 C ATOM 1453 CG GLN A 92 81.527 -7.623 -4.774 1.00 0.00 C ATOM 1454 CD GLN A 92 82.052 -7.963 -6.164 1.00 0.00 C ATOM 1455 OE1 GLN A 92 81.406 -8.699 -6.909 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.191 -7.464 -6.562 1.00 0.00 N ATOM 0 H GLN A 92 77.995 -9.069 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 92 80.308 -8.182 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 92 80.067 -9.215 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.448 -7.678 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.552 -6.544 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 92 82.170 -8.068 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.725 -6.854 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 92 83.547 -7.684 -7.492 1.00 0.00 H new