USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -5.88! C(o=-13!,f=-26!) USER MOD Set 1.2: A 62 GLN : amide:sc= -7.06! C(o=-13!,f=-21!) USER MOD Single : A 13 ASN : amide:sc= -2.17! C(o=-2.2!,f=-5.8!) USER MOD Single : A 14 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-6.8!) USER MOD Single : A 19 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 20 ASN : amide:sc= -2.25 K(o=-2.3,f=-0.51) USER MOD Single : A 25 THR OG1 : rot 167:sc= 1.23 USER MOD Single : A 26 ASN : amide:sc= -2.94! C(o=-2.9!,f=-16!) USER MOD Single : A 29 MET CE :methyl -160:sc= -1.13 (180deg=-2.35!) USER MOD Single : A 31 SER OG : rot -98:sc= 1.41 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.301 X(o=0.3,f=-0.0085) USER MOD Single : A 36 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.6!) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc=-0.00788 (180deg=-0.159) USER MOD Single : A 50 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 71 GLN : amide:sc= 1.04 K(o=1,f=-0.081) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -177:sc= -0.755 USER MOD Single : A 77 GLN : amide:sc= -0.908 K(o=-0.91,f=-0.066) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -134:sc= -1.92 (180deg=-4.47!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -60:sc= 0.536! USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -10.427 0.289 -4.198 1.00 0.00 N ATOM 173 CA ASN A 13 -9.570 1.372 -3.680 1.00 0.00 C ATOM 174 C ASN A 13 -8.619 1.988 -4.720 1.00 0.00 C ATOM 175 O ASN A 13 -9.134 2.383 -5.762 1.00 0.00 O ATOM 176 CB ASN A 13 -8.818 0.817 -2.452 1.00 0.00 C ATOM 177 CG ASN A 13 -9.791 0.103 -1.529 1.00 0.00 C ATOM 178 OD1 ASN A 13 -10.432 0.687 -0.694 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.937 -1.188 -1.640 1.00 0.00 N ATOM 0 HA ASN A 13 -10.206 2.212 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.037 0.129 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.326 1.630 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.584 -1.683 -1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.404 -1.703 -2.341 1.00 0.00 H new ATOM 186 N HIS A 14 -7.355 2.066 -4.447 1.00 0.00 N ATOM 187 CA HIS A 14 -6.316 2.662 -5.313 1.00 0.00 C ATOM 188 C HIS A 14 -5.336 3.475 -4.402 1.00 0.00 C ATOM 189 O HIS A 14 -4.323 3.944 -4.836 1.00 0.00 O ATOM 190 CB HIS A 14 -6.849 3.700 -6.304 1.00 0.00 C ATOM 191 CG HIS A 14 -7.652 4.781 -5.616 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.108 4.745 -4.315 1.00 0.00 N ATOM 193 CD2 HIS A 14 -8.095 6.003 -6.083 1.00 0.00 C ATOM 194 CE1 HIS A 14 -8.779 5.897 -4.059 1.00 0.00 C ATOM 195 NE2 HIS A 14 -8.805 6.706 -5.106 1.00 0.00 N ATOM 0 H HIS A 14 -6.972 1.704 -3.574 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.871 1.830 -5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.014 4.153 -6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.472 3.204 -7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.915 6.371 -7.082 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.239 6.127 -3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -9.240 7.625 -5.182 1.00 0.00 H new ATOM 204 N ILE A 15 -5.632 3.658 -3.126 1.00 0.00 N ATOM 205 CA ILE A 15 -4.795 4.432 -2.158 1.00 0.00 C ATOM 206 C ILE A 15 -4.596 3.472 -0.960 1.00 0.00 C ATOM 207 O ILE A 15 -5.523 3.169 -0.266 1.00 0.00 O ATOM 208 CB ILE A 15 -5.386 5.760 -1.689 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.921 6.856 -2.661 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.824 6.010 -0.287 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.284 8.250 -2.186 1.00 0.00 C ATOM 0 H ILE A 15 -6.476 3.273 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.870 4.735 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.476 5.753 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.840 6.789 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.368 6.682 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.215 6.951 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.120 5.195 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.736 6.062 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.932 8.984 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.366 8.330 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.815 8.439 -1.220 1.00 0.00 H new ATOM 223 N LEU A 16 -3.373 3.038 -0.786 1.00 0.00 N ATOM 224 CA LEU A 16 -3.028 2.072 0.304 1.00 0.00 C ATOM 225 C LEU A 16 -2.051 2.756 1.302 1.00 0.00 C ATOM 226 O LEU A 16 -0.915 3.074 1.024 1.00 0.00 O ATOM 227 CB LEU A 16 -2.397 0.838 -0.304 1.00 0.00 C ATOM 228 CG LEU A 16 -3.210 0.432 -1.541 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.491 0.955 -2.780 1.00 0.00 C ATOM 230 CD2 LEU A 16 -3.286 -1.099 -1.556 1.00 0.00 C ATOM 0 H LEU A 16 -2.582 3.318 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.927 1.774 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.362 1.039 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.380 0.025 0.422 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.218 0.846 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.053 0.677 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.413 2.041 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.492 0.522 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.858 -1.426 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.279 -1.513 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.775 -1.448 -0.646 1.00 0.00 H new ATOM 242 N PHE A 17 -2.639 2.980 2.484 1.00 0.00 N ATOM 243 CA PHE A 17 -2.065 3.691 3.616 1.00 0.00 C ATOM 244 C PHE A 17 -1.948 2.652 4.753 1.00 0.00 C ATOM 245 O PHE A 17 -2.878 1.942 4.939 1.00 0.00 O ATOM 246 CB PHE A 17 -2.846 4.895 4.110 1.00 0.00 C ATOM 247 CG PHE A 17 -2.411 5.104 5.555 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.058 5.317 5.858 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.339 5.089 6.610 1.00 0.00 C ATOM 250 CE1 PHE A 17 -0.665 5.506 7.190 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.923 5.280 7.933 1.00 0.00 C ATOM 252 CZ PHE A 17 -1.577 5.491 8.239 1.00 0.00 C ATOM 0 H PHE A 17 -3.583 2.647 2.679 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.113 4.112 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.631 5.776 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.920 4.718 4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.322 5.335 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.386 4.928 6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.380 5.669 7.408 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.654 5.264 8.728 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.254 5.638 9.259 1.00 0.00 H new ATOM 262 N LEU A 18 -0.785 2.607 5.281 1.00 0.00 N ATOM 263 CA LEU A 18 -0.552 1.676 6.361 1.00 0.00 C ATOM 264 C LEU A 18 0.895 1.841 6.705 1.00 0.00 C ATOM 265 O LEU A 18 1.559 2.723 6.198 1.00 0.00 O ATOM 266 CB LEU A 18 -1.126 0.288 6.281 1.00 0.00 C ATOM 267 CG LEU A 18 -1.266 -0.417 7.650 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.443 0.551 8.795 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.564 -1.262 7.613 1.00 0.00 C ATOM 0 H LEU A 18 0.013 3.179 5.006 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.185 1.927 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.107 0.339 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.492 -0.319 5.635 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.357 -0.997 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.536 -0.003 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.578 1.212 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.343 1.144 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.692 -1.774 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.418 -0.609 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.496 -1.999 6.812 1.00 0.00 H new ATOM 281 N THR A 19 1.302 1.113 7.615 1.00 0.00 N ATOM 282 CA THR A 19 2.633 1.243 8.130 1.00 0.00 C ATOM 283 C THR A 19 3.066 -0.158 8.523 1.00 0.00 C ATOM 284 O THR A 19 2.406 -1.172 8.328 1.00 0.00 O ATOM 285 CB THR A 19 2.559 2.095 9.425 1.00 0.00 C ATOM 286 OG1 THR A 19 3.610 1.809 10.312 1.00 0.00 O ATOM 287 CG2 THR A 19 1.244 1.809 10.188 1.00 0.00 C ATOM 0 H THR A 19 0.743 0.384 8.059 1.00 0.00 H new ATOM 0 HA THR A 19 3.312 1.699 7.409 1.00 0.00 H new ATOM 0 HB THR A 19 2.619 3.135 9.103 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.418 2.284 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.209 2.415 11.093 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.394 2.057 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.201 0.753 10.456 1.00 0.00 H new ATOM 295 N ASN A 20 4.194 -0.181 8.984 1.00 0.00 N ATOM 296 CA ASN A 20 4.932 -1.405 9.470 1.00 0.00 C ATOM 297 C ASN A 20 6.153 -1.620 8.568 1.00 0.00 C ATOM 298 O ASN A 20 6.538 -2.687 8.171 1.00 0.00 O ATOM 299 CB ASN A 20 4.064 -2.626 9.637 1.00 0.00 C ATOM 300 CG ASN A 20 4.760 -3.713 10.492 1.00 0.00 C ATOM 301 OD1 ASN A 20 4.508 -3.762 11.689 1.00 0.00 O ATOM 302 ND2 ASN A 20 5.589 -4.566 9.968 1.00 0.00 N ATOM 0 H ASN A 20 4.750 0.669 9.080 1.00 0.00 H new ATOM 0 HA ASN A 20 5.274 -1.227 10.490 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.123 -2.341 10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.820 -3.035 8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.029 -5.275 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.800 -4.526 8.971 1.00 0.00 H new ATOM 309 N LEU A 21 6.784 -0.539 8.236 1.00 0.00 N ATOM 310 CA LEU A 21 7.982 -0.552 7.330 1.00 0.00 C ATOM 311 C LEU A 21 9.158 -0.016 8.160 1.00 0.00 C ATOM 312 O LEU A 21 9.629 1.037 7.820 1.00 0.00 O ATOM 313 CB LEU A 21 7.617 0.413 6.195 1.00 0.00 C ATOM 314 CG LEU A 21 6.335 0.041 5.480 1.00 0.00 C ATOM 315 CD1 LEU A 21 5.086 0.183 6.345 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.100 0.975 4.271 1.00 0.00 C ATOM 0 H LEU A 21 6.519 0.391 8.560 1.00 0.00 H new ATOM 0 HA LEU A 21 8.249 -1.530 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.519 1.420 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.433 0.439 5.473 1.00 0.00 H new ATOM 0 HG LEU A 21 6.472 -1.002 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.208 -0.101 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.171 -0.466 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.986 1.218 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.175 0.694 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.026 2.006 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.933 0.885 3.574 1.00 0.00 H new ATOM 328 N PRO A 22 9.520 -0.767 9.150 1.00 0.00 N ATOM 329 CA PRO A 22 10.579 -0.532 10.124 1.00 0.00 C ATOM 330 C PRO A 22 11.544 0.584 9.767 1.00 0.00 C ATOM 331 O PRO A 22 11.237 1.771 9.725 1.00 0.00 O ATOM 332 CB PRO A 22 11.264 -1.917 10.207 1.00 0.00 C ATOM 333 CG PRO A 22 10.045 -2.842 10.355 1.00 0.00 C ATOM 334 CD PRO A 22 8.956 -2.061 9.562 1.00 0.00 C ATOM 0 HA PRO A 22 10.185 -0.173 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.846 -2.143 9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.943 -1.991 11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.228 -3.830 9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.766 -2.987 11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.640 -2.632 8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.072 -1.909 10.181 1.00 0.00 H new ATOM 342 N GLU A 23 12.807 0.307 9.499 1.00 0.00 N ATOM 343 CA GLU A 23 13.802 1.354 9.153 1.00 0.00 C ATOM 344 C GLU A 23 14.675 0.865 7.996 1.00 0.00 C ATOM 345 O GLU A 23 15.567 1.563 7.565 1.00 0.00 O ATOM 346 CB GLU A 23 14.738 1.540 10.367 1.00 0.00 C ATOM 347 CG GLU A 23 15.299 0.198 10.822 1.00 0.00 C ATOM 348 CD GLU A 23 16.788 0.357 11.177 1.00 0.00 C ATOM 349 OE1 GLU A 23 17.566 0.791 10.325 1.00 0.00 O ATOM 350 OE2 GLU A 23 17.184 0.049 12.296 1.00 0.00 O ATOM 0 H GLU A 23 13.189 -0.639 9.510 1.00 0.00 H new ATOM 0 HA GLU A 23 13.285 2.276 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.555 2.211 10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.192 2.008 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.745 -0.165 11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.180 -0.544 10.033 1.00 0.00 H new ATOM 357 N GLU A 24 14.479 -0.299 7.458 1.00 0.00 N ATOM 358 CA GLU A 24 15.323 -0.790 6.319 1.00 0.00 C ATOM 359 C GLU A 24 14.546 -0.461 5.030 1.00 0.00 C ATOM 360 O GLU A 24 14.919 -0.824 3.927 1.00 0.00 O ATOM 361 CB GLU A 24 15.524 -2.293 6.407 1.00 0.00 C ATOM 362 CG GLU A 24 16.946 -2.675 6.826 1.00 0.00 C ATOM 363 CD GLU A 24 16.961 -4.188 7.069 1.00 0.00 C ATOM 364 OE1 GLU A 24 16.066 -4.667 7.754 1.00 0.00 O ATOM 365 OE2 GLU A 24 17.876 -4.832 6.561 1.00 0.00 O ATOM 0 H GLU A 24 13.756 -0.952 7.760 1.00 0.00 H new ATOM 0 HA GLU A 24 16.305 -0.318 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.815 -2.709 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.302 -2.743 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.661 -2.404 6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.237 -2.138 7.729 1.00 0.00 H new ATOM 372 N THR A 25 13.448 0.237 5.188 1.00 0.00 N ATOM 373 CA THR A 25 12.577 0.640 4.060 1.00 0.00 C ATOM 374 C THR A 25 12.944 2.069 3.670 1.00 0.00 C ATOM 375 O THR A 25 13.637 2.740 4.389 1.00 0.00 O ATOM 376 CB THR A 25 11.132 0.677 4.608 1.00 0.00 C ATOM 377 OG1 THR A 25 11.105 1.548 5.734 1.00 0.00 O ATOM 378 CG2 THR A 25 10.676 -0.716 5.057 1.00 0.00 C ATOM 0 H THR A 25 13.113 0.553 6.098 1.00 0.00 H new ATOM 0 HA THR A 25 12.682 -0.038 3.213 1.00 0.00 H new ATOM 0 HB THR A 25 10.464 1.024 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.176 1.757 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.656 -0.660 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.710 -1.401 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.337 -1.079 5.843 1.00 0.00 H new ATOM 386 N ASN A 26 12.466 2.517 2.532 1.00 0.00 N ATOM 387 CA ASN A 26 12.814 3.930 2.148 1.00 0.00 C ATOM 388 C ASN A 26 11.911 4.446 1.004 1.00 0.00 C ATOM 389 O ASN A 26 11.177 3.709 0.355 1.00 0.00 O ATOM 390 CB ASN A 26 14.297 4.093 1.877 1.00 0.00 C ATOM 391 CG ASN A 26 14.701 3.732 0.450 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.311 4.386 -0.488 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.488 2.710 0.236 1.00 0.00 N ATOM 0 H ASN A 26 11.879 1.999 1.879 1.00 0.00 H new ATOM 0 HA ASN A 26 12.604 4.572 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.583 5.126 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.856 3.468 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.767 2.472 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.823 2.151 1.021 1.00 0.00 H new ATOM 400 N GLU A 27 11.939 5.738 0.726 1.00 0.00 N ATOM 401 CA GLU A 27 11.099 6.316 -0.337 1.00 0.00 C ATOM 402 C GLU A 27 11.448 5.820 -1.766 1.00 0.00 C ATOM 403 O GLU A 27 10.515 5.588 -2.474 1.00 0.00 O ATOM 404 CB GLU A 27 11.249 7.847 -0.451 1.00 0.00 C ATOM 405 CG GLU A 27 10.386 8.269 -1.662 1.00 0.00 C ATOM 406 CD GLU A 27 10.373 9.790 -1.717 1.00 0.00 C ATOM 407 OE1 GLU A 27 11.453 10.341 -1.569 1.00 0.00 O ATOM 408 OE2 GLU A 27 9.311 10.362 -1.906 1.00 0.00 O ATOM 0 H GLU A 27 12.528 6.414 1.213 1.00 0.00 H new ATOM 0 HA GLU A 27 10.101 6.002 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.912 8.341 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.292 8.127 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.795 7.857 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.372 7.882 -1.562 1.00 0.00 H new ATOM 415 N LEU A 28 12.706 5.701 -2.124 1.00 0.00 N ATOM 416 CA LEU A 28 13.108 5.256 -3.515 1.00 0.00 C ATOM 417 C LEU A 28 12.818 3.744 -3.616 1.00 0.00 C ATOM 418 O LEU A 28 12.624 3.165 -4.662 1.00 0.00 O ATOM 419 CB LEU A 28 14.590 5.567 -3.718 1.00 0.00 C ATOM 420 CG LEU A 28 15.452 4.299 -3.584 1.00 0.00 C ATOM 421 CD1 LEU A 28 15.450 3.533 -4.892 1.00 0.00 C ATOM 422 CD2 LEU A 28 16.857 4.757 -3.208 1.00 0.00 C ATOM 0 H LEU A 28 13.492 5.896 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 28 12.550 5.777 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.739 6.008 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.912 6.307 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 28 15.061 3.627 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.062 2.637 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.429 3.248 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.858 4.163 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.507 3.888 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.248 5.409 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.822 5.301 -2.264 1.00 0.00 H new ATOM 434 N MET A 29 12.792 3.127 -2.450 1.00 0.00 N ATOM 435 CA MET A 29 12.522 1.658 -2.341 1.00 0.00 C ATOM 436 C MET A 29 11.064 1.413 -2.698 1.00 0.00 C ATOM 437 O MET A 29 10.667 0.702 -3.627 1.00 0.00 O ATOM 438 CB MET A 29 12.725 1.253 -0.867 1.00 0.00 C ATOM 439 CG MET A 29 12.983 -0.234 -0.779 1.00 0.00 C ATOM 440 SD MET A 29 14.771 -0.545 -0.552 1.00 0.00 S ATOM 441 CE MET A 29 15.232 -0.230 -2.282 1.00 0.00 C ATOM 0 H MET A 29 12.950 3.593 -1.557 1.00 0.00 H new ATOM 0 HA MET A 29 13.180 1.091 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.564 1.803 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.842 1.514 -0.283 1.00 0.00 H new ATOM 0 HG2 MET A 29 12.423 -0.660 0.053 1.00 0.00 H new ATOM 0 HG3 MET A 29 12.632 -0.727 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.199 -0.689 -2.490 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.478 -0.657 -2.943 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.296 0.845 -2.451 1.00 0.00 H new ATOM 451 N LEU A 30 10.216 2.040 -1.915 1.00 0.00 N ATOM 452 CA LEU A 30 8.764 1.888 -2.155 1.00 0.00 C ATOM 453 C LEU A 30 8.427 2.688 -3.416 1.00 0.00 C ATOM 454 O LEU A 30 7.450 2.439 -4.060 1.00 0.00 O ATOM 455 CB LEU A 30 7.993 2.377 -0.927 1.00 0.00 C ATOM 456 CG LEU A 30 8.158 1.470 0.288 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.126 1.818 1.373 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.982 -0.017 -0.077 1.00 0.00 C ATOM 0 H LEU A 30 10.472 2.641 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 30 8.480 0.847 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.330 3.381 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.934 2.450 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 30 9.170 1.633 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.263 1.158 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.262 2.853 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.120 1.690 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.107 -0.628 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.985 -0.175 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.729 -0.301 -0.818 1.00 0.00 H new ATOM 470 N SER A 31 9.220 3.641 -3.792 1.00 0.00 N ATOM 471 CA SER A 31 9.042 4.499 -4.976 1.00 0.00 C ATOM 472 C SER A 31 9.129 3.595 -6.225 1.00 0.00 C ATOM 473 O SER A 31 8.299 3.609 -7.090 1.00 0.00 O ATOM 474 CB SER A 31 10.211 5.497 -5.166 1.00 0.00 C ATOM 475 OG SER A 31 10.084 6.002 -6.502 1.00 0.00 O ATOM 0 H SER A 31 10.064 3.874 -3.268 1.00 0.00 H new ATOM 0 HA SER A 31 8.098 5.029 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.157 6.305 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.173 5.004 -5.025 1.00 0.00 H new ATOM 0 HG SER A 31 10.687 5.509 -7.097 1.00 0.00 H new ATOM 481 N MET A 32 10.190 2.844 -6.216 1.00 0.00 N ATOM 482 CA MET A 32 10.482 1.926 -7.346 1.00 0.00 C ATOM 483 C MET A 32 9.644 0.663 -7.321 1.00 0.00 C ATOM 484 O MET A 32 9.252 0.052 -8.309 1.00 0.00 O ATOM 485 CB MET A 32 11.953 1.502 -7.161 1.00 0.00 C ATOM 486 CG MET A 32 12.898 2.478 -7.829 1.00 0.00 C ATOM 487 SD MET A 32 12.375 4.215 -7.609 1.00 0.00 S ATOM 488 CE MET A 32 12.793 4.735 -9.282 1.00 0.00 C ATOM 0 H MET A 32 10.877 2.827 -5.462 1.00 0.00 H new ATOM 0 HA MET A 32 10.268 2.438 -8.284 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.184 1.440 -6.098 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.101 0.506 -7.578 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.900 2.348 -7.419 1.00 0.00 H new ATOM 0 HG3 MET A 32 12.957 2.251 -8.894 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.559 5.793 -9.403 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.857 4.576 -9.457 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.216 4.151 -9.999 1.00 0.00 H new ATOM 498 N LEU A 33 9.319 0.226 -6.117 1.00 0.00 N ATOM 499 CA LEU A 33 8.485 -1.019 -5.950 1.00 0.00 C ATOM 500 C LEU A 33 7.051 -0.619 -6.346 1.00 0.00 C ATOM 501 O LEU A 33 6.278 -1.364 -6.881 1.00 0.00 O ATOM 502 CB LEU A 33 8.457 -1.406 -4.469 1.00 0.00 C ATOM 503 CG LEU A 33 9.430 -2.567 -4.273 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.674 -2.846 -2.775 1.00 0.00 C ATOM 505 CD2 LEU A 33 8.936 -3.810 -5.001 1.00 0.00 C ATOM 0 H LEU A 33 9.595 0.678 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 33 8.878 -1.844 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.743 -0.558 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.450 -1.696 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 33 10.389 -2.284 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.371 -3.678 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.094 -1.958 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.730 -3.100 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.643 -4.626 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.960 -4.098 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.851 -3.598 -6.067 1.00 0.00 H new ATOM 517 N PHE A 34 6.777 0.627 -6.038 1.00 0.00 N ATOM 518 CA PHE A 34 5.415 1.134 -6.425 1.00 0.00 C ATOM 519 C PHE A 34 5.472 1.491 -7.923 1.00 0.00 C ATOM 520 O PHE A 34 4.527 1.429 -8.661 1.00 0.00 O ATOM 521 CB PHE A 34 4.951 2.278 -5.556 1.00 0.00 C ATOM 522 CG PHE A 34 4.546 1.702 -4.205 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.836 0.500 -4.092 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.880 2.361 -3.023 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.493 -0.002 -2.814 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.555 1.884 -1.752 1.00 0.00 C ATOM 527 CZ PHE A 34 3.853 0.681 -1.661 1.00 0.00 C ATOM 0 H PHE A 34 7.395 1.285 -5.563 1.00 0.00 H new ATOM 0 HA PHE A 34 4.663 0.362 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.747 3.013 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.110 2.793 -6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.550 -0.044 -4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.421 3.293 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.944 -0.929 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.839 2.430 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.590 0.282 -0.693 1.00 0.00 H new ATOM 537 N ASN A 35 6.664 1.867 -8.319 1.00 0.00 N ATOM 538 CA ASN A 35 6.969 2.245 -9.716 1.00 0.00 C ATOM 539 C ASN A 35 6.754 1.027 -10.640 1.00 0.00 C ATOM 540 O ASN A 35 6.269 1.220 -11.730 1.00 0.00 O ATOM 541 CB ASN A 35 8.408 2.693 -9.923 1.00 0.00 C ATOM 542 CG ASN A 35 8.611 3.043 -11.403 1.00 0.00 C ATOM 543 OD1 ASN A 35 9.611 2.647 -11.979 1.00 0.00 O ATOM 544 ND2 ASN A 35 7.732 3.761 -12.064 1.00 0.00 N ATOM 0 H ASN A 35 7.467 1.926 -7.693 1.00 0.00 H new ATOM 0 HA ASN A 35 6.303 3.076 -9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.627 3.558 -9.297 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.096 1.902 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.890 3.981 -13.047 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.892 4.098 -11.594 1.00 0.00 H new ATOM 551 N GLN A 36 7.114 -0.125 -10.159 1.00 0.00 N ATOM 552 CA GLN A 36 6.940 -1.375 -10.944 1.00 0.00 C ATOM 553 C GLN A 36 5.603 -1.411 -11.715 1.00 0.00 C ATOM 554 O GLN A 36 5.499 -2.068 -12.721 1.00 0.00 O ATOM 555 CB GLN A 36 6.878 -2.529 -9.927 1.00 0.00 C ATOM 556 CG GLN A 36 8.247 -3.148 -9.679 1.00 0.00 C ATOM 557 CD GLN A 36 8.183 -4.690 -9.767 1.00 0.00 C ATOM 558 OE1 GLN A 36 7.395 -5.197 -10.530 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.957 -5.448 -9.038 1.00 0.00 N ATOM 0 H GLN A 36 7.530 -0.256 -9.237 1.00 0.00 H new ATOM 0 HA GLN A 36 7.759 -1.446 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.471 -2.160 -8.985 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.194 -3.296 -10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.960 -2.768 -10.411 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.611 -2.851 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.624 -5.025 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.895 -6.463 -9.114 1.00 0.00 H new ATOM 568 N PHE A 37 4.644 -0.702 -11.202 1.00 0.00 N ATOM 569 CA PHE A 37 3.232 -0.565 -11.755 1.00 0.00 C ATOM 570 C PHE A 37 2.989 0.681 -12.604 1.00 0.00 C ATOM 571 O PHE A 37 3.002 1.774 -12.046 1.00 0.00 O ATOM 572 CB PHE A 37 2.298 -0.629 -10.504 1.00 0.00 C ATOM 573 CG PHE A 37 2.658 -1.949 -9.830 1.00 0.00 C ATOM 574 CD1 PHE A 37 2.027 -3.128 -10.205 1.00 0.00 C ATOM 575 CD2 PHE A 37 3.653 -1.916 -8.830 1.00 0.00 C ATOM 576 CE1 PHE A 37 2.380 -4.316 -9.580 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.990 -3.115 -8.218 1.00 0.00 C ATOM 578 CZ PHE A 37 3.362 -4.318 -8.585 1.00 0.00 C ATOM 0 H PHE A 37 4.778 -0.160 -10.349 1.00 0.00 H new ATOM 0 HA PHE A 37 3.033 -1.366 -12.466 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.468 0.217 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.247 -0.603 -10.791 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.270 -3.121 -10.975 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.135 -0.991 -8.551 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.896 -5.239 -9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.747 -3.124 -7.448 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.638 -5.242 -8.099 1.00 0.00 H new ATOM 588 N PRO A 38 2.769 0.526 -13.889 1.00 0.00 N ATOM 589 CA PRO A 38 2.503 1.563 -14.903 1.00 0.00 C ATOM 590 C PRO A 38 1.741 2.765 -14.317 1.00 0.00 C ATOM 591 O PRO A 38 1.899 3.892 -14.731 1.00 0.00 O ATOM 592 CB PRO A 38 1.590 0.960 -15.986 1.00 0.00 C ATOM 593 CG PRO A 38 1.488 -0.531 -15.595 1.00 0.00 C ATOM 594 CD PRO A 38 2.722 -0.711 -14.673 1.00 0.00 C ATOM 0 HA PRO A 38 3.466 1.896 -15.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.611 1.439 -15.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.015 1.084 -16.982 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.556 -0.753 -15.076 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.531 -1.185 -16.466 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.615 -1.585 -14.031 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.635 -0.850 -15.252 1.00 0.00 H new ATOM 602 N GLY A 39 0.917 2.465 -13.336 1.00 0.00 N ATOM 603 CA GLY A 39 0.122 3.530 -12.678 1.00 0.00 C ATOM 604 C GLY A 39 1.053 4.493 -11.918 1.00 0.00 C ATOM 605 O GLY A 39 0.939 5.670 -12.183 1.00 0.00 O ATOM 0 H GLY A 39 0.768 1.525 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.452 4.080 -13.424 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.595 3.085 -11.988 1.00 0.00 H new ATOM 609 N PHE A 40 1.872 3.976 -11.071 1.00 0.00 N ATOM 610 CA PHE A 40 2.842 4.721 -10.236 1.00 0.00 C ATOM 611 C PHE A 40 2.413 6.155 -10.010 1.00 0.00 C ATOM 612 O PHE A 40 2.858 7.054 -10.705 1.00 0.00 O ATOM 613 CB PHE A 40 4.208 4.663 -10.957 1.00 0.00 C ATOM 614 CG PHE A 40 5.205 5.629 -10.401 1.00 0.00 C ATOM 615 CD1 PHE A 40 5.204 5.848 -9.018 1.00 0.00 C ATOM 616 CD2 PHE A 40 6.129 6.314 -11.220 1.00 0.00 C ATOM 617 CE1 PHE A 40 6.126 6.751 -8.484 1.00 0.00 C ATOM 618 CE2 PHE A 40 7.052 7.219 -10.672 1.00 0.00 C ATOM 619 CZ PHE A 40 7.053 7.441 -9.299 1.00 0.00 C ATOM 0 H PHE A 40 1.912 2.970 -10.908 1.00 0.00 H new ATOM 0 HA PHE A 40 2.903 4.265 -9.248 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.609 3.652 -10.882 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.062 4.870 -12.017 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.505 5.330 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.126 6.139 -12.286 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.131 6.927 -7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.753 7.737 -11.309 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.755 8.134 -8.859 1.00 0.00 H new ATOM 629 N LYS A 41 1.555 6.424 -9.075 1.00 0.00 N ATOM 630 CA LYS A 41 1.112 7.817 -8.867 1.00 0.00 C ATOM 631 C LYS A 41 1.772 8.549 -7.714 1.00 0.00 C ATOM 632 O LYS A 41 2.400 9.579 -7.920 1.00 0.00 O ATOM 633 CB LYS A 41 -0.411 7.812 -8.606 1.00 0.00 C ATOM 634 CG LYS A 41 -1.154 8.768 -9.515 1.00 0.00 C ATOM 635 CD LYS A 41 -0.831 10.184 -8.993 1.00 0.00 C ATOM 636 CE LYS A 41 -1.561 11.202 -9.841 1.00 0.00 C ATOM 637 NZ LYS A 41 -1.006 11.246 -11.232 1.00 0.00 N ATOM 0 H LYS A 41 1.142 5.736 -8.446 1.00 0.00 H new ATOM 0 HA LYS A 41 1.400 8.350 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.798 6.803 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.600 8.082 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.834 8.651 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.227 8.577 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.132 10.278 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.243 10.363 -9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.622 10.955 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.479 12.187 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.378 12.081 -11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.032 11.302 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.286 10.385 -11.745 1.00 0.00 H new ATOM 651 N GLU A 42 1.644 8.061 -6.507 1.00 0.00 N ATOM 652 CA GLU A 42 2.253 8.763 -5.373 1.00 0.00 C ATOM 653 C GLU A 42 2.738 7.712 -4.361 1.00 0.00 C ATOM 654 O GLU A 42 2.163 6.665 -4.228 1.00 0.00 O ATOM 655 CB GLU A 42 1.289 9.780 -4.736 1.00 0.00 C ATOM 656 CG GLU A 42 1.998 11.127 -4.498 1.00 0.00 C ATOM 657 CD GLU A 42 2.102 11.877 -5.834 1.00 0.00 C ATOM 658 OE1 GLU A 42 1.063 12.082 -6.444 1.00 0.00 O ATOM 659 OE2 GLU A 42 3.213 12.221 -6.202 1.00 0.00 O ATOM 0 H GLU A 42 1.141 7.205 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 42 3.103 9.350 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.426 9.927 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.913 9.389 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.442 11.723 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.991 10.962 -4.080 1.00 0.00 H new ATOM 666 N VAL A 43 3.796 8.086 -3.696 1.00 0.00 N ATOM 667 CA VAL A 43 4.488 7.282 -2.688 1.00 0.00 C ATOM 668 C VAL A 43 4.979 8.243 -1.598 1.00 0.00 C ATOM 669 O VAL A 43 5.716 9.163 -1.838 1.00 0.00 O ATOM 670 CB VAL A 43 5.657 6.511 -3.308 1.00 0.00 C ATOM 671 CG1 VAL A 43 5.106 5.511 -4.338 1.00 0.00 C ATOM 672 CG2 VAL A 43 6.606 7.443 -4.033 1.00 0.00 C ATOM 0 H VAL A 43 4.230 8.998 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 43 3.813 6.538 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 43 6.192 6.005 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.932 4.957 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.428 4.815 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.567 6.051 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.425 6.866 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.070 7.961 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.006 8.174 -3.330 1.00 0.00 H new ATOM 682 N ARG A 44 4.469 7.964 -0.452 1.00 0.00 N ATOM 683 CA ARG A 44 4.701 8.791 0.774 1.00 0.00 C ATOM 684 C ARG A 44 5.335 7.874 1.837 1.00 0.00 C ATOM 685 O ARG A 44 4.622 7.274 2.591 1.00 0.00 O ATOM 686 CB ARG A 44 3.441 9.455 1.285 1.00 0.00 C ATOM 687 CG ARG A 44 3.694 10.972 1.409 1.00 0.00 C ATOM 688 CD ARG A 44 3.361 11.470 2.807 1.00 0.00 C ATOM 689 NE ARG A 44 4.482 11.025 3.705 1.00 0.00 N ATOM 690 CZ ARG A 44 4.966 11.827 4.612 1.00 0.00 C ATOM 691 NH1 ARG A 44 5.424 12.997 4.284 1.00 0.00 N ATOM 692 NH2 ARG A 44 4.992 11.457 5.850 1.00 0.00 N ATOM 0 H ARG A 44 3.867 7.156 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 44 5.371 9.616 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.611 9.265 0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.161 9.039 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.737 11.190 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.089 11.506 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.265 12.556 2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.409 11.062 3.146 1.00 0.00 H new ATOM 0 HE ARG A 44 4.868 10.086 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.407 13.296 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.800 13.617 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.634 10.539 6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.370 12.083 6.561 1.00 0.00 H new ATOM 706 N LEU A 45 6.620 7.866 1.783 1.00 0.00 N ATOM 707 CA LEU A 45 7.487 7.129 2.753 1.00 0.00 C ATOM 708 C LEU A 45 8.805 7.870 2.832 1.00 0.00 C ATOM 709 O LEU A 45 9.679 7.536 2.040 1.00 0.00 O ATOM 710 CB LEU A 45 7.771 5.706 2.194 1.00 0.00 C ATOM 711 CG LEU A 45 8.614 4.973 3.232 1.00 0.00 C ATOM 712 CD1 LEU A 45 7.688 4.476 4.337 1.00 0.00 C ATOM 713 CD2 LEU A 45 9.349 3.767 2.630 1.00 0.00 C ATOM 0 H LEU A 45 7.147 8.367 1.068 1.00 0.00 H new ATOM 0 HA LEU A 45 7.004 7.060 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.839 5.172 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.299 5.765 1.242 1.00 0.00 H new ATOM 0 HG LEU A 45 9.363 5.666 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.272 3.948 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.183 5.325 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.946 3.799 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.937 3.275 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.622 3.063 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.011 4.105 1.833 1.00 0.00 H new ATOM 725 N VAL A 46 8.989 8.837 3.711 1.00 0.00 N ATOM 726 CA VAL A 46 10.266 9.569 3.647 1.00 0.00 C ATOM 727 C VAL A 46 10.859 9.984 4.987 1.00 0.00 C ATOM 728 O VAL A 46 12.008 9.614 5.207 1.00 0.00 O ATOM 729 CB VAL A 46 9.984 10.873 2.830 1.00 0.00 C ATOM 730 CG1 VAL A 46 11.218 11.806 2.760 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.588 10.551 1.403 1.00 0.00 C ATOM 0 H VAL A 46 8.331 9.129 4.434 1.00 0.00 H new ATOM 0 HA VAL A 46 10.996 8.893 3.202 1.00 0.00 H new ATOM 0 HB VAL A 46 9.173 11.376 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.969 12.696 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.511 12.098 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.044 11.281 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.398 11.477 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.395 10.004 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.685 9.940 1.405 1.00 0.00 H new ATOM 741 N PRO A 47 10.186 10.724 5.810 1.00 0.00 N ATOM 742 CA PRO A 47 10.597 11.226 7.119 1.00 0.00 C ATOM 743 C PRO A 47 11.466 10.282 7.926 1.00 0.00 C ATOM 744 O PRO A 47 11.845 9.190 7.605 1.00 0.00 O ATOM 745 CB PRO A 47 9.336 11.539 7.962 1.00 0.00 C ATOM 746 CG PRO A 47 8.171 11.112 7.059 1.00 0.00 C ATOM 747 CD PRO A 47 8.844 11.289 5.668 1.00 0.00 C ATOM 0 HA PRO A 47 11.201 12.109 6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.336 10.986 8.901 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.278 12.598 8.215 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.853 10.086 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.292 11.745 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.281 10.773 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.889 12.340 5.384 1.00 0.00 H new ATOM 755 N GLY A 48 11.823 10.724 9.118 1.00 0.00 N ATOM 756 CA GLY A 48 12.683 9.893 10.028 1.00 0.00 C ATOM 757 C GLY A 48 11.955 8.533 10.147 1.00 0.00 C ATOM 758 O GLY A 48 12.541 7.503 10.357 1.00 0.00 O ATOM 0 H GLY A 48 11.552 11.631 9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.685 9.768 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.795 10.366 11.004 1.00 0.00 H new ATOM 762 N ARG A 49 10.655 8.630 9.970 1.00 0.00 N ATOM 763 CA ARG A 49 9.775 7.452 9.992 1.00 0.00 C ATOM 764 C ARG A 49 10.189 6.390 8.935 1.00 0.00 C ATOM 765 O ARG A 49 10.875 5.472 9.307 1.00 0.00 O ATOM 766 CB ARG A 49 8.345 7.909 9.611 1.00 0.00 C ATOM 767 CG ARG A 49 7.714 8.612 10.802 1.00 0.00 C ATOM 768 CD ARG A 49 6.535 7.724 11.264 1.00 0.00 C ATOM 769 NE ARG A 49 7.042 6.779 12.281 1.00 0.00 N ATOM 770 CZ ARG A 49 6.267 6.417 13.282 1.00 0.00 C ATOM 771 NH1 ARG A 49 5.075 5.946 13.022 1.00 0.00 N ATOM 772 NH2 ARG A 49 6.704 6.534 14.520 1.00 0.00 N ATOM 0 H ARG A 49 10.169 9.512 9.807 1.00 0.00 H new ATOM 0 HA ARG A 49 9.837 7.015 10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.381 8.581 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.741 7.050 9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.440 8.741 11.605 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.365 9.607 10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.736 8.338 11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.113 7.182 10.418 1.00 0.00 H new ATOM 0 HE ARG A 49 7.989 6.408 12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.759 5.864 12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.462 5.661 13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.638 6.903 14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.108 6.255 15.300 1.00 0.00 H new ATOM 786 N HIS A 50 9.724 6.574 7.713 1.00 0.00 N ATOM 787 CA HIS A 50 9.971 5.565 6.588 1.00 0.00 C ATOM 788 C HIS A 50 9.128 4.328 7.029 1.00 0.00 C ATOM 789 O HIS A 50 9.348 3.256 6.540 1.00 0.00 O ATOM 790 CB HIS A 50 11.392 5.020 6.516 1.00 0.00 C ATOM 791 CG HIS A 50 12.457 6.063 6.401 1.00 0.00 C ATOM 792 ND1 HIS A 50 13.418 6.270 7.401 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.735 6.962 5.415 1.00 0.00 C ATOM 794 CE1 HIS A 50 14.229 7.261 7.001 1.00 0.00 C ATOM 795 NE2 HIS A 50 13.839 7.692 5.813 1.00 0.00 N ATOM 0 H HIS A 50 9.176 7.387 7.432 1.00 0.00 H new ATOM 0 HA HIS A 50 9.744 6.047 5.637 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.583 4.422 7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.466 4.349 5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.191 7.082 4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.068 7.646 7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.280 8.440 5.278 1.00 0.00 H new ATOM 804 N ASP A 51 8.228 4.570 7.953 1.00 0.00 N ATOM 805 CA ASP A 51 7.381 3.489 8.570 1.00 0.00 C ATOM 806 C ASP A 51 5.898 3.675 8.321 1.00 0.00 C ATOM 807 O ASP A 51 5.107 2.802 8.556 1.00 0.00 O ATOM 808 CB ASP A 51 7.665 3.368 10.083 1.00 0.00 C ATOM 809 CG ASP A 51 7.458 1.910 10.536 1.00 0.00 C ATOM 810 OD1 ASP A 51 6.307 1.480 10.615 1.00 0.00 O ATOM 811 OD2 ASP A 51 8.472 1.278 10.795 1.00 0.00 O ATOM 0 H ASP A 51 8.037 5.503 8.319 1.00 0.00 H new ATOM 0 HA ASP A 51 7.664 2.560 8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.686 3.684 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.003 4.030 10.641 1.00 0.00 H new ATOM 816 N ILE A 52 5.471 4.809 7.795 1.00 0.00 N ATOM 817 CA ILE A 52 4.074 5.113 7.452 1.00 0.00 C ATOM 818 C ILE A 52 4.067 5.337 5.920 1.00 0.00 C ATOM 819 O ILE A 52 4.607 6.281 5.401 1.00 0.00 O ATOM 820 CB ILE A 52 3.456 6.273 8.197 1.00 0.00 C ATOM 821 CG1 ILE A 52 4.259 7.571 8.086 1.00 0.00 C ATOM 822 CG2 ILE A 52 3.250 5.869 9.675 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.351 8.703 7.565 1.00 0.00 C ATOM 0 H ILE A 52 6.104 5.580 7.583 1.00 0.00 H new ATOM 0 HA ILE A 52 3.442 4.281 7.762 1.00 0.00 H new ATOM 0 HB ILE A 52 2.496 6.490 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.669 7.840 9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.104 7.430 7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.804 6.701 10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.588 5.004 9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.212 5.617 10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.927 9.625 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.962 8.435 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.521 8.851 8.256 1.00 0.00 H new ATOM 835 N ALA A 53 3.456 4.391 5.220 1.00 0.00 N ATOM 836 CA ALA A 53 3.445 4.383 3.760 1.00 0.00 C ATOM 837 C ALA A 53 2.040 4.741 3.222 1.00 0.00 C ATOM 838 O ALA A 53 1.107 4.044 3.558 1.00 0.00 O ATOM 839 CB ALA A 53 3.687 2.931 3.299 1.00 0.00 C ATOM 0 H ALA A 53 2.956 3.610 5.644 1.00 0.00 H new ATOM 0 HA ALA A 53 4.193 5.091 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.685 2.890 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.651 2.586 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.896 2.289 3.688 1.00 0.00 H new ATOM 845 N PHE A 54 2.063 5.797 2.479 1.00 0.00 N ATOM 846 CA PHE A 54 0.877 6.349 1.727 1.00 0.00 C ATOM 847 C PHE A 54 1.155 6.220 0.206 1.00 0.00 C ATOM 848 O PHE A 54 1.945 6.904 -0.399 1.00 0.00 O ATOM 849 CB PHE A 54 0.718 7.819 2.070 1.00 0.00 C ATOM 850 CG PHE A 54 -0.670 8.172 2.601 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.036 7.832 3.909 1.00 0.00 C ATOM 852 CD2 PHE A 54 -1.557 8.840 1.739 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.330 8.172 4.357 1.00 0.00 C ATOM 854 CE2 PHE A 54 -2.829 9.164 2.215 1.00 0.00 C ATOM 855 CZ PHE A 54 -3.218 8.833 3.518 1.00 0.00 C ATOM 0 H PHE A 54 2.910 6.349 2.344 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.027 5.803 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.464 8.093 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.921 8.416 1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.343 7.321 4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.262 9.097 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.633 7.916 5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.524 9.678 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.206 9.091 3.870 1.00 0.00 H new ATOM 865 N VAL A 55 0.462 5.231 -0.365 1.00 0.00 N ATOM 866 CA VAL A 55 0.608 4.813 -1.763 1.00 0.00 C ATOM 867 C VAL A 55 -0.667 4.990 -2.584 1.00 0.00 C ATOM 868 O VAL A 55 -1.690 4.346 -2.522 1.00 0.00 O ATOM 869 CB VAL A 55 0.903 3.287 -1.737 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.308 2.818 -3.109 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.954 2.950 -0.661 1.00 0.00 C ATOM 0 H VAL A 55 -0.233 4.685 0.144 1.00 0.00 H new ATOM 0 HA VAL A 55 1.390 5.422 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.004 2.749 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.513 1.748 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.500 3.015 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.204 3.351 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.144 1.877 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.880 3.483 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.582 3.252 0.318 1.00 0.00 H new ATOM 881 N GLU A 56 -0.531 5.952 -3.448 1.00 0.00 N ATOM 882 CA GLU A 56 -1.545 6.436 -4.421 1.00 0.00 C ATOM 883 C GLU A 56 -1.240 5.829 -5.813 1.00 0.00 C ATOM 884 O GLU A 56 -0.297 6.150 -6.476 1.00 0.00 O ATOM 885 CB GLU A 56 -1.566 7.957 -4.509 1.00 0.00 C ATOM 886 CG GLU A 56 -2.945 8.478 -4.954 1.00 0.00 C ATOM 887 CD GLU A 56 -2.965 10.017 -4.917 1.00 0.00 C ATOM 888 OE1 GLU A 56 -1.987 10.597 -4.512 1.00 0.00 O ATOM 889 OE2 GLU A 56 -3.986 10.574 -5.301 1.00 0.00 O ATOM 0 H GLU A 56 0.342 6.475 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.529 6.117 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.311 8.382 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.805 8.292 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.167 8.128 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.721 8.080 -4.300 1.00 0.00 H new ATOM 896 N PHE A 57 -2.059 4.889 -6.155 1.00 0.00 N ATOM 897 CA PHE A 57 -1.950 4.056 -7.382 1.00 0.00 C ATOM 898 C PHE A 57 -3.094 4.366 -8.376 1.00 0.00 C ATOM 899 O PHE A 57 -4.191 3.971 -8.108 1.00 0.00 O ATOM 900 CB PHE A 57 -2.078 2.563 -7.008 1.00 0.00 C ATOM 901 CG PHE A 57 -0.655 2.021 -6.854 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.156 2.065 -7.996 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.175 1.516 -5.661 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.462 1.578 -7.872 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.125 1.036 -5.558 1.00 0.00 C ATOM 906 CZ PHE A 57 1.948 1.070 -6.677 1.00 0.00 C ATOM 0 H PHE A 57 -2.868 4.644 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.986 4.278 -7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.639 2.444 -6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.618 2.016 -7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.211 2.458 -8.932 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.820 1.494 -4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.112 1.598 -8.734 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.491 0.642 -4.621 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.962 0.702 -6.616 1.00 0.00 H new ATOM 916 N ASP A 58 -2.709 5.067 -9.375 1.00 0.00 N ATOM 917 CA ASP A 58 -3.615 5.547 -10.475 1.00 0.00 C ATOM 918 C ASP A 58 -4.907 4.760 -10.535 1.00 0.00 C ATOM 919 O ASP A 58 -5.986 5.287 -10.620 1.00 0.00 O ATOM 920 CB ASP A 58 -2.860 5.518 -11.815 1.00 0.00 C ATOM 921 CG ASP A 58 -3.871 5.507 -12.977 1.00 0.00 C ATOM 922 OD1 ASP A 58 -4.209 6.603 -13.390 1.00 0.00 O ATOM 923 OD2 ASP A 58 -4.268 4.428 -13.417 1.00 0.00 O ATOM 0 H ASP A 58 -1.739 5.357 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.903 6.576 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.208 6.388 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.222 4.635 -11.866 1.00 0.00 H new ATOM 928 N ASN A 59 -4.781 3.460 -10.478 1.00 0.00 N ATOM 929 CA ASN A 59 -6.012 2.643 -10.503 1.00 0.00 C ATOM 930 C ASN A 59 -5.777 1.387 -9.632 1.00 0.00 C ATOM 931 O ASN A 59 -4.678 0.892 -9.511 1.00 0.00 O ATOM 932 CB ASN A 59 -6.448 2.245 -11.912 1.00 0.00 C ATOM 933 CG ASN A 59 -5.566 1.179 -12.537 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.270 0.125 -12.032 1.00 0.00 O ATOM 935 ND2 ASN A 59 -5.092 1.446 -13.740 1.00 0.00 N ATOM 0 H ASN A 59 -3.902 2.947 -10.417 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.826 3.248 -10.105 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.475 1.882 -11.878 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.444 3.129 -12.549 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.494 0.769 -14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.324 2.329 -14.195 1.00 0.00 H new ATOM 942 N GLU A 60 -6.832 0.917 -9.069 1.00 0.00 N ATOM 943 CA GLU A 60 -6.885 -0.297 -8.181 1.00 0.00 C ATOM 944 C GLU A 60 -6.306 -1.576 -8.813 1.00 0.00 C ATOM 945 O GLU A 60 -5.941 -2.527 -8.183 1.00 0.00 O ATOM 946 CB GLU A 60 -8.305 -0.517 -7.643 1.00 0.00 C ATOM 947 CG GLU A 60 -9.261 -0.412 -8.821 1.00 0.00 C ATOM 948 CD GLU A 60 -10.048 0.918 -8.818 1.00 0.00 C ATOM 949 OE1 GLU A 60 -9.504 1.931 -8.430 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.192 0.874 -9.211 1.00 0.00 O ATOM 0 H GLU A 60 -7.746 1.352 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.222 -0.081 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.388 -1.494 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.547 0.228 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.699 -0.498 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.961 -1.247 -8.794 1.00 0.00 H new ATOM 957 N VAL A 61 -6.201 -1.635 -10.127 1.00 0.00 N ATOM 958 CA VAL A 61 -5.626 -2.855 -10.803 1.00 0.00 C ATOM 959 C VAL A 61 -4.107 -2.823 -10.462 1.00 0.00 C ATOM 960 O VAL A 61 -3.495 -3.794 -10.086 1.00 0.00 O ATOM 961 CB VAL A 61 -5.784 -2.790 -12.314 1.00 0.00 C ATOM 962 CG1 VAL A 61 -5.494 -4.192 -12.870 1.00 0.00 C ATOM 963 CG2 VAL A 61 -7.236 -2.421 -12.649 1.00 0.00 C ATOM 0 H VAL A 61 -6.489 -0.890 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.134 -3.758 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.108 -2.050 -12.742 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.599 -4.182 -13.955 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.478 -4.485 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.200 -4.905 -12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.359 -2.372 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.907 -3.177 -12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.475 -1.451 -12.213 1.00 0.00 H new ATOM 973 N GLN A 62 -3.598 -1.622 -10.620 1.00 0.00 N ATOM 974 CA GLN A 62 -2.175 -1.316 -10.332 1.00 0.00 C ATOM 975 C GLN A 62 -1.984 -1.127 -8.817 1.00 0.00 C ATOM 976 O GLN A 62 -0.910 -1.419 -8.304 1.00 0.00 O ATOM 977 CB GLN A 62 -1.638 -0.049 -11.007 1.00 0.00 C ATOM 978 CG GLN A 62 -2.172 0.100 -12.448 1.00 0.00 C ATOM 979 CD GLN A 62 -2.507 1.569 -12.732 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.716 2.363 -11.858 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.567 1.952 -13.981 1.00 0.00 N ATOM 0 H GLN A 62 -4.137 -0.821 -10.948 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.621 -2.165 -10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.923 0.825 -10.421 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.549 -0.079 -11.024 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.427 -0.256 -13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.061 -0.517 -12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.390 1.282 -14.729 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.791 2.921 -14.207 1.00 0.00 H new ATOM 990 N ALA A 63 -2.949 -0.666 -8.109 1.00 0.00 N ATOM 991 CA ALA A 63 -2.792 -0.461 -6.638 1.00 0.00 C ATOM 992 C ALA A 63 -2.823 -1.890 -6.063 1.00 0.00 C ATOM 993 O ALA A 63 -2.087 -2.214 -5.169 1.00 0.00 O ATOM 994 CB ALA A 63 -3.981 0.290 -6.060 1.00 0.00 C ATOM 0 H ALA A 63 -3.865 -0.413 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.890 0.106 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.840 0.425 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.064 1.265 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.893 -0.281 -6.237 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.704 -2.646 -6.654 1.00 0.00 N ATOM 1001 CA GLY A 64 -3.948 -4.081 -6.300 1.00 0.00 C ATOM 1002 C GLY A 64 -2.712 -4.861 -6.691 1.00 0.00 C ATOM 1003 O GLY A 64 -2.252 -5.728 -5.962 1.00 0.00 O ATOM 0 H GLY A 64 -4.300 -2.311 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.145 -4.185 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.824 -4.462 -6.825 1.00 0.00 H new ATOM 1007 N ALA A 65 -2.142 -4.576 -7.838 1.00 0.00 N ATOM 1008 CA ALA A 65 -0.917 -5.288 -8.304 1.00 0.00 C ATOM 1009 C ALA A 65 0.200 -4.952 -7.337 1.00 0.00 C ATOM 1010 O ALA A 65 0.792 -5.852 -6.763 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.615 -4.827 -9.735 1.00 0.00 C ATOM 0 H ALA A 65 -2.485 -3.863 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.039 -6.371 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.278 -5.334 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.459 -5.069 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.449 -3.750 -9.743 1.00 0.00 H new ATOM 1017 N ALA A 66 0.525 -3.710 -7.109 1.00 0.00 N ATOM 1018 CA ALA A 66 1.599 -3.269 -6.166 1.00 0.00 C ATOM 1019 C ALA A 66 1.283 -3.776 -4.771 1.00 0.00 C ATOM 1020 O ALA A 66 2.120 -4.353 -4.087 1.00 0.00 O ATOM 1021 CB ALA A 66 1.586 -1.742 -6.096 1.00 0.00 C ATOM 0 H ALA A 66 0.057 -2.930 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 66 2.561 -3.650 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.364 -1.402 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.771 -1.331 -7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.614 -1.402 -5.738 1.00 0.00 H new ATOM 1027 N ARG A 67 0.090 -3.599 -4.293 1.00 0.00 N ATOM 1028 CA ARG A 67 -0.355 -4.044 -2.970 1.00 0.00 C ATOM 1029 C ARG A 67 -0.135 -5.559 -2.843 1.00 0.00 C ATOM 1030 O ARG A 67 0.590 -5.942 -1.974 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.853 -3.779 -2.808 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.290 -4.145 -1.370 1.00 0.00 C ATOM 1033 CD ARG A 67 -2.836 -5.571 -1.374 1.00 0.00 C ATOM 1034 NE ARG A 67 -2.842 -6.128 0.018 1.00 0.00 N ATOM 1035 CZ ARG A 67 -3.926 -6.669 0.535 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -4.874 -5.898 1.025 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.051 -7.976 0.561 1.00 0.00 N ATOM 0 H ARG A 67 -0.643 -3.124 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 67 0.210 -3.503 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.071 -2.730 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.417 -4.367 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.445 -4.066 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.052 -3.449 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.847 -5.580 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.226 -6.200 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.989 -6.087 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.768 -4.884 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.714 -6.315 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.311 -8.567 0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.888 -8.400 0.960 1.00 0.00 H new ATOM 1051 N ASP A 68 -0.752 -6.313 -3.709 1.00 0.00 N ATOM 1052 CA ASP A 68 -0.649 -7.793 -3.750 1.00 0.00 C ATOM 1053 C ASP A 68 0.796 -8.272 -3.974 1.00 0.00 C ATOM 1054 O ASP A 68 1.205 -9.341 -3.545 1.00 0.00 O ATOM 1055 CB ASP A 68 -1.512 -8.348 -4.919 1.00 0.00 C ATOM 1056 CG ASP A 68 -1.218 -9.845 -5.102 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -1.316 -10.552 -4.110 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -0.906 -10.210 -6.225 1.00 0.00 O ATOM 0 H ASP A 68 -1.361 -5.933 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.999 -8.158 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.571 -8.197 -4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.290 -7.807 -5.839 1.00 0.00 H new ATOM 1063 N ALA A 69 1.584 -7.484 -4.645 1.00 0.00 N ATOM 1064 CA ALA A 69 3.014 -7.872 -4.907 1.00 0.00 C ATOM 1065 C ALA A 69 3.801 -7.617 -3.621 1.00 0.00 C ATOM 1066 O ALA A 69 4.721 -8.357 -3.323 1.00 0.00 O ATOM 1067 CB ALA A 69 3.560 -7.047 -6.056 1.00 0.00 C ATOM 0 H ALA A 69 1.307 -6.581 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 69 3.096 -8.922 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.596 -7.328 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.965 -7.230 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.512 -5.989 -5.799 1.00 0.00 H new ATOM 1073 N LEU A 70 3.449 -6.596 -2.876 1.00 0.00 N ATOM 1074 CA LEU A 70 4.220 -6.347 -1.598 1.00 0.00 C ATOM 1075 C LEU A 70 3.130 -6.209 -0.504 1.00 0.00 C ATOM 1076 O LEU A 70 3.162 -5.272 0.253 1.00 0.00 O ATOM 1077 CB LEU A 70 5.123 -5.125 -1.664 1.00 0.00 C ATOM 1078 CG LEU A 70 4.383 -3.851 -2.081 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.773 -2.653 -1.201 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.712 -3.472 -3.515 1.00 0.00 C ATOM 0 H LEU A 70 2.693 -5.942 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 70 4.913 -7.163 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.583 -4.968 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.931 -5.316 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 70 3.321 -4.070 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.227 -1.768 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.525 -2.869 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.844 -2.471 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.173 -2.564 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.784 -3.299 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.416 -4.281 -4.182 1.00 0.00 H new ATOM 1092 N GLN A 71 2.249 -7.160 -0.518 1.00 0.00 N ATOM 1093 CA GLN A 71 1.089 -7.254 0.430 1.00 0.00 C ATOM 1094 C GLN A 71 1.475 -7.755 1.815 1.00 0.00 C ATOM 1095 O GLN A 71 0.649 -7.964 2.669 1.00 0.00 O ATOM 1096 CB GLN A 71 0.054 -8.195 -0.191 1.00 0.00 C ATOM 1097 CG GLN A 71 0.525 -9.658 -0.085 1.00 0.00 C ATOM 1098 CD GLN A 71 -0.469 -10.499 0.707 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -0.950 -11.518 0.271 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -0.822 -10.110 1.902 1.00 0.00 N ATOM 0 H GLN A 71 2.282 -7.928 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 71 0.690 -6.250 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.904 -8.077 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.104 -7.932 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.646 -10.077 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.502 -9.695 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.432 -9.254 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.488 -10.662 2.442 1.00 0.00 H new ATOM 1109 N GLY A 72 2.732 -7.948 2.018 1.00 0.00 N ATOM 1110 CA GLY A 72 3.222 -8.442 3.353 1.00 0.00 C ATOM 1111 C GLY A 72 4.760 -8.428 3.249 1.00 0.00 C ATOM 1112 O GLY A 72 5.407 -9.393 3.550 1.00 0.00 O ATOM 0 H GLY A 72 3.462 -7.789 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.876 -7.799 4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.851 -9.445 3.562 1.00 0.00 H new ATOM 1116 N PHE A 73 5.233 -7.297 2.806 1.00 0.00 N ATOM 1117 CA PHE A 73 6.694 -7.061 2.611 1.00 0.00 C ATOM 1118 C PHE A 73 7.390 -7.499 3.907 1.00 0.00 C ATOM 1119 O PHE A 73 7.446 -6.717 4.817 1.00 0.00 O ATOM 1120 CB PHE A 73 7.008 -5.626 2.228 1.00 0.00 C ATOM 1121 CG PHE A 73 8.468 -5.543 1.797 1.00 0.00 C ATOM 1122 CD1 PHE A 73 9.498 -5.539 2.738 1.00 0.00 C ATOM 1123 CD2 PHE A 73 8.769 -5.467 0.432 1.00 0.00 C ATOM 1124 CE1 PHE A 73 10.830 -5.458 2.322 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.097 -5.386 0.018 1.00 0.00 C ATOM 1126 CZ PHE A 73 11.126 -5.382 0.968 1.00 0.00 C ATOM 0 H PHE A 73 4.647 -6.498 2.562 1.00 0.00 H new ATOM 0 HA PHE A 73 7.065 -7.646 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.356 -5.300 1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.825 -4.961 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.265 -5.599 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.974 -5.471 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.626 -5.455 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.333 -5.326 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.155 -5.319 0.646 1.00 0.00 H new ATOM 1136 N LYS A 74 7.857 -8.706 3.894 1.00 0.00 N ATOM 1137 CA LYS A 74 8.558 -9.223 5.105 1.00 0.00 C ATOM 1138 C LYS A 74 9.796 -8.332 5.334 1.00 0.00 C ATOM 1139 O LYS A 74 10.889 -8.560 4.886 1.00 0.00 O ATOM 1140 CB LYS A 74 8.997 -10.678 4.924 1.00 0.00 C ATOM 1141 CG LYS A 74 9.496 -10.837 3.480 1.00 0.00 C ATOM 1142 CD LYS A 74 10.779 -11.687 3.503 1.00 0.00 C ATOM 1143 CE LYS A 74 10.744 -12.710 2.381 1.00 0.00 C ATOM 1144 NZ LYS A 74 12.137 -12.864 1.831 1.00 0.00 N ATOM 0 H LYS A 74 7.789 -9.356 3.111 1.00 0.00 H new ATOM 0 HA LYS A 74 7.881 -9.194 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.787 -10.930 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.166 -11.356 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.734 -11.316 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.695 -9.861 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.653 -11.045 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.873 -12.192 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.375 -13.666 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.060 -12.388 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.131 -13.562 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.469 -11.949 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.775 -13.188 2.586 1.00 0.00 H new ATOM 1158 N ILE A 75 9.578 -7.274 6.079 1.00 0.00 N ATOM 1159 CA ILE A 75 10.656 -6.299 6.412 1.00 0.00 C ATOM 1160 C ILE A 75 11.792 -7.081 7.083 1.00 0.00 C ATOM 1161 O ILE A 75 12.921 -6.664 6.974 1.00 0.00 O ATOM 1162 CB ILE A 75 10.124 -5.261 7.397 1.00 0.00 C ATOM 1163 CG1 ILE A 75 8.877 -4.534 6.869 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.192 -4.195 7.686 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.259 -3.367 5.936 1.00 0.00 C ATOM 0 H ILE A 75 8.669 -7.043 6.480 1.00 0.00 H new ATOM 0 HA ILE A 75 11.003 -5.792 5.511 1.00 0.00 H new ATOM 0 HB ILE A 75 9.862 -5.811 8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.243 -5.239 6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.292 -4.155 7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.795 -3.464 8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.074 -4.670 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.466 -3.694 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.354 -2.874 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.872 -2.650 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.822 -3.751 5.085 1.00 0.00 H new ATOM 1177 N THR A 76 11.449 -8.165 7.740 1.00 0.00 N ATOM 1178 CA THR A 76 12.525 -8.951 8.407 1.00 0.00 C ATOM 1179 C THR A 76 12.412 -10.461 8.089 1.00 0.00 C ATOM 1180 O THR A 76 13.406 -11.075 7.792 1.00 0.00 O ATOM 1181 CB THR A 76 12.433 -8.721 9.931 1.00 0.00 C ATOM 1182 OG1 THR A 76 11.987 -7.371 10.117 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.801 -8.854 10.571 1.00 0.00 C ATOM 0 H THR A 76 10.501 -8.527 7.840 1.00 0.00 H new ATOM 0 HA THR A 76 13.490 -8.613 8.030 1.00 0.00 H new ATOM 0 HB THR A 76 11.760 -9.450 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 76 11.958 -7.165 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.718 -8.689 11.645 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.193 -9.854 10.387 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.477 -8.115 10.142 1.00 0.00 H new ATOM 1191 N GLN A 77 11.214 -10.928 8.184 1.00 0.00 N ATOM 1192 CA GLN A 77 10.843 -12.359 7.938 1.00 0.00 C ATOM 1193 C GLN A 77 9.699 -12.680 8.931 1.00 0.00 C ATOM 1194 O GLN A 77 8.726 -13.328 8.601 1.00 0.00 O ATOM 1195 CB GLN A 77 12.002 -13.301 8.177 1.00 0.00 C ATOM 1196 CG GLN A 77 11.543 -14.731 8.504 1.00 0.00 C ATOM 1197 CD GLN A 77 10.737 -15.307 7.354 1.00 0.00 C ATOM 1198 OE1 GLN A 77 9.909 -16.181 7.561 1.00 0.00 O ATOM 1199 NE2 GLN A 77 10.903 -14.896 6.136 1.00 0.00 N ATOM 0 H GLN A 77 10.416 -10.345 8.439 1.00 0.00 H new ATOM 0 HA GLN A 77 10.546 -12.494 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.638 -13.321 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.610 -12.922 8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.410 -15.362 8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.940 -14.727 9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.587 -14.167 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.349 -15.301 5.381 1.00 0.00 H new ATOM 1208 N ASN A 78 9.877 -12.199 10.122 1.00 0.00 N ATOM 1209 CA ASN A 78 8.896 -12.378 11.243 1.00 0.00 C ATOM 1210 C ASN A 78 8.060 -11.076 11.286 1.00 0.00 C ATOM 1211 O ASN A 78 6.966 -11.012 11.807 1.00 0.00 O ATOM 1212 CB ASN A 78 9.649 -12.529 12.551 1.00 0.00 C ATOM 1213 CG ASN A 78 10.279 -13.926 12.627 1.00 0.00 C ATOM 1214 OD1 ASN A 78 9.715 -14.809 13.245 1.00 0.00 O ATOM 1215 ND2 ASN A 78 11.407 -14.186 12.043 1.00 0.00 N ATOM 0 H ASN A 78 10.702 -11.660 10.386 1.00 0.00 H new ATOM 0 HA ASN A 78 8.271 -13.259 11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.424 -11.766 12.626 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.971 -12.379 13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.810 -15.121 12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.891 -13.456 11.521 1.00 0.00 H new ATOM 1222 N ASN A 79 8.638 -10.051 10.709 1.00 0.00 N ATOM 1223 CA ASN A 79 8.025 -8.695 10.623 1.00 0.00 C ATOM 1224 C ASN A 79 7.686 -8.451 9.131 1.00 0.00 C ATOM 1225 O ASN A 79 8.595 -8.523 8.323 1.00 0.00 O ATOM 1226 CB ASN A 79 9.022 -7.660 11.129 1.00 0.00 C ATOM 1227 CG ASN A 79 8.733 -7.285 12.591 1.00 0.00 C ATOM 1228 OD1 ASN A 79 7.795 -6.552 12.878 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.484 -7.741 13.550 1.00 0.00 N ATOM 0 H ASN A 79 9.558 -10.108 10.273 1.00 0.00 H new ATOM 0 HA ASN A 79 7.125 -8.618 11.232 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.035 -8.054 11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.974 -6.768 10.505 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.286 -7.486 14.518 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.271 -8.353 13.334 1.00 0.00 H new ATOM 1236 N ALA A 80 6.453 -8.190 8.850 1.00 0.00 N ATOM 1237 CA ALA A 80 5.940 -7.935 7.468 1.00 0.00 C ATOM 1238 C ALA A 80 5.145 -6.610 7.557 1.00 0.00 C ATOM 1239 O ALA A 80 4.464 -6.389 8.534 1.00 0.00 O ATOM 1240 CB ALA A 80 5.051 -9.096 7.057 1.00 0.00 C ATOM 0 H ALA A 80 5.726 -8.138 9.564 1.00 0.00 H new ATOM 0 HA ALA A 80 6.732 -7.853 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.669 -8.924 6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.629 -10.020 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.216 -9.179 7.752 1.00 0.00 H new ATOM 1246 N MET A 81 5.262 -5.786 6.556 1.00 0.00 N ATOM 1247 CA MET A 81 4.562 -4.489 6.560 1.00 0.00 C ATOM 1248 C MET A 81 3.049 -4.597 6.541 1.00 0.00 C ATOM 1249 O MET A 81 2.440 -5.621 6.274 1.00 0.00 O ATOM 1250 CB MET A 81 5.026 -3.711 5.308 1.00 0.00 C ATOM 1251 CG MET A 81 3.933 -3.656 4.246 1.00 0.00 C ATOM 1252 SD MET A 81 4.646 -3.391 2.606 1.00 0.00 S ATOM 1253 CE MET A 81 5.124 -1.656 2.795 1.00 0.00 C ATOM 0 H MET A 81 5.824 -5.966 5.724 1.00 0.00 H new ATOM 0 HA MET A 81 4.813 -3.983 7.492 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.309 -2.698 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.915 -4.186 4.892 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.364 -4.586 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.234 -2.852 4.478 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.814 -1.095 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.640 -1.239 3.678 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.206 -1.587 2.908 1.00 0.00 H new ATOM 1263 N LYS A 82 2.397 -3.477 6.821 1.00 0.00 N ATOM 1264 CA LYS A 82 0.929 -3.375 6.807 1.00 0.00 C ATOM 1265 C LYS A 82 0.572 -2.135 5.926 1.00 0.00 C ATOM 1266 O LYS A 82 1.022 -1.070 6.281 1.00 0.00 O ATOM 1267 CB LYS A 82 0.325 -3.327 8.211 1.00 0.00 C ATOM 1268 CG LYS A 82 0.817 -4.550 9.020 1.00 0.00 C ATOM 1269 CD LYS A 82 -0.395 -5.359 9.455 1.00 0.00 C ATOM 1270 CE LYS A 82 -0.981 -4.788 10.754 1.00 0.00 C ATOM 1271 NZ LYS A 82 -0.479 -5.583 11.906 1.00 0.00 N ATOM 0 H LYS A 82 2.866 -2.605 7.066 1.00 0.00 H new ATOM 0 HA LYS A 82 0.485 -4.272 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.615 -2.404 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.763 -3.329 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.484 -5.163 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.387 -4.224 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.151 -5.344 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.111 -6.401 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.696 -3.742 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.070 -4.820 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.873 -5.201 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.772 -6.575 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.559 -5.530 11.938 1.00 0.00 H new ATOM 1285 N ILE A 83 -0.129 -2.490 4.891 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.586 -1.619 3.759 1.00 0.00 C ATOM 1287 C ILE A 83 -2.104 -1.766 3.729 1.00 0.00 C ATOM 1288 O ILE A 83 -2.623 -2.834 3.513 1.00 0.00 O ATOM 1289 CB ILE A 83 0.002 -2.235 2.455 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.446 -1.753 2.344 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.738 -1.752 1.216 1.00 0.00 C ATOM 1292 CD1 ILE A 83 1.928 -2.092 0.925 1.00 0.00 C ATOM 0 H ILE A 83 -0.437 -3.455 4.772 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.282 -0.577 3.858 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.085 -3.320 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.509 -0.680 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.073 -2.240 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.296 -2.205 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.788 -2.037 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.661 -0.667 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.960 -1.763 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.870 -3.169 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.297 -1.585 0.195 1.00 0.00 H new ATOM 1304 N SER A 84 -2.775 -0.710 4.002 1.00 0.00 N ATOM 1305 CA SER A 84 -4.258 -0.734 4.118 1.00 0.00 C ATOM 1306 C SER A 84 -4.889 0.163 3.029 1.00 0.00 C ATOM 1307 O SER A 84 -4.922 1.335 3.198 1.00 0.00 O ATOM 1308 CB SER A 84 -4.774 -0.281 5.478 1.00 0.00 C ATOM 1309 OG SER A 84 -6.000 0.431 5.292 1.00 0.00 O ATOM 0 H SER A 84 -2.355 0.207 4.157 1.00 0.00 H new ATOM 0 HA SER A 84 -4.549 -1.776 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.932 -1.142 6.127 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.038 0.357 5.968 1.00 0.00 H new ATOM 0 HG SER A 84 -5.841 1.212 4.722 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.339 -0.458 1.998 1.00 0.00 N ATOM 1316 CA PHE A 85 -6.025 0.251 0.873 1.00 0.00 C ATOM 1317 C PHE A 85 -7.030 1.211 1.467 1.00 0.00 C ATOM 1318 O PHE A 85 -7.492 1.057 2.586 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.855 -0.788 0.081 1.00 0.00 C ATOM 1320 CG PHE A 85 -7.447 -1.798 1.009 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -8.588 -1.478 1.773 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.856 -3.068 1.114 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -9.102 -2.451 2.628 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -7.383 -4.033 1.977 1.00 0.00 C ATOM 1325 CZ PHE A 85 -8.512 -3.718 2.738 1.00 0.00 C ATOM 0 H PHE A 85 -5.264 -1.467 1.870 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.290 0.756 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.648 -0.284 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.221 -1.286 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.051 -0.505 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.984 -3.302 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.976 -2.224 3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.924 -5.008 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.930 -4.451 3.411 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.402 2.220 0.764 1.00 0.00 N ATOM 1336 CA ALA A 86 -8.352 3.254 1.215 1.00 0.00 C ATOM 1337 C ALA A 86 -9.595 3.257 0.345 1.00 0.00 C ATOM 1338 O ALA A 86 -9.436 3.399 -0.863 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.690 4.641 1.055 1.00 0.00 C ATOM 0 H ALA A 86 -7.057 2.383 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.619 3.045 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.383 5.415 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.784 4.683 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.436 4.804 0.008 1.00 0.00 H new