USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 72 SER OG : rot 166:sc= 0.0618 USER MOD Set 1.2: A 94 TYR OH : rot 171:sc= 2.17 USER MOD Set 2.1: A 38 ASN : amide:sc= -1.5 K(o=-2.9,f=-3.6) USER MOD Set 2.2: A 61 ASN : amide:sc= -1.38 K(o=-2.9,f=-1.2) USER MOD Set 3.1: A 50 THR OG1 : rot 75:sc= 1.33 USER MOD Set 3.2: A 98 TYR OH : rot 48:sc= -1.69! USER MOD Set 4.1: A 32 GLN : amide:sc= -0.448 K(o=-0.73,f=-1.7) USER MOD Set 4.2: A 117 SER OG : rot 170:sc= -0.279 USER MOD Single : A 13 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -12.3! C(o=-12!,f=-12!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 43 ASN : amide:sc= -8.53! C(o=-8.5!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc=-0.00289 (180deg=-0.0559) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.526 USER MOD Single : A 70 THR OG1 : rot 167:sc= -1.45! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 0.473 (180deg=0.036) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD Single : A 89 ASN : amide:sc= -1.9 K(o=-1.9,f=-7.8!) USER MOD Single : A 90 THR OG1 : rot -140:sc= -0.347 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 100 MET CE :methyl 165:sc= -1.5 (180deg=-2.23) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Single : A 109 MET CE :methyl -124:sc= -2.58 (180deg=-7.58!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -2.38! USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= -0.364 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.186 3.515 2.146 1.00 0.00 N ATOM 132 CA ASP A 10 12.609 4.629 1.300 1.00 0.00 C ATOM 133 C ASP A 10 11.805 4.087 0.118 1.00 0.00 C ATOM 134 O ASP A 10 12.268 4.063 -1.005 1.00 0.00 O ATOM 135 CB ASP A 10 13.754 5.497 0.772 1.00 0.00 C ATOM 136 CG ASP A 10 13.751 6.843 1.501 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.291 6.904 2.593 1.00 0.00 O ATOM 138 OD2 ASP A 10 13.209 7.790 0.955 1.00 0.00 O ATOM 0 HA ASP A 10 11.934 5.214 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.708 4.991 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.642 5.652 -0.301 1.00 0.00 H new ATOM 143 N ILE A 11 10.615 3.641 0.369 1.00 0.00 N ATOM 144 CA ILE A 11 9.790 3.089 -0.728 1.00 0.00 C ATOM 145 C ILE A 11 9.467 4.188 -1.725 1.00 0.00 C ATOM 146 O ILE A 11 9.818 4.097 -2.869 1.00 0.00 O ATOM 147 CB ILE A 11 8.482 2.552 -0.196 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.639 1.895 1.176 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.927 1.523 -1.168 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.701 0.811 1.095 1.00 0.00 C ATOM 0 H ILE A 11 10.176 3.635 1.290 1.00 0.00 H new ATOM 0 HA ILE A 11 10.354 2.286 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 11 7.802 3.398 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.920 2.641 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.690 1.467 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.983 1.134 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.761 1.991 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.639 0.705 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.816 0.340 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.400 0.061 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.650 1.253 0.792 1.00 0.00 H new ATOM 162 N GLU A 12 8.769 5.210 -1.293 1.00 0.00 N ATOM 163 CA GLU A 12 8.367 6.323 -2.216 1.00 0.00 C ATOM 164 C GLU A 12 9.469 6.642 -3.242 1.00 0.00 C ATOM 165 O GLU A 12 9.188 7.046 -4.353 1.00 0.00 O ATOM 166 CB GLU A 12 8.055 7.578 -1.395 1.00 0.00 C ATOM 167 CG GLU A 12 9.239 7.909 -0.485 1.00 0.00 C ATOM 168 CD GLU A 12 9.632 9.376 -0.674 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.560 9.848 -1.797 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.997 10.002 0.307 1.00 0.00 O ATOM 0 H GLU A 12 8.456 5.324 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 12 7.483 6.000 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.850 8.417 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.158 7.419 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.975 7.723 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.084 7.262 -0.720 1.00 0.00 H new ATOM 177 N ASN A 13 10.713 6.450 -2.893 1.00 0.00 N ATOM 178 CA ASN A 13 11.808 6.728 -3.868 1.00 0.00 C ATOM 179 C ASN A 13 11.993 5.494 -4.756 1.00 0.00 C ATOM 180 O ASN A 13 12.088 5.587 -5.963 1.00 0.00 O ATOM 181 CB ASN A 13 13.106 7.018 -3.108 1.00 0.00 C ATOM 182 CG ASN A 13 14.159 7.557 -4.079 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.075 7.338 -5.271 1.00 0.00 O ATOM 184 ND2 ASN A 13 15.157 8.260 -3.614 1.00 0.00 N ATOM 0 H ASN A 13 11.018 6.114 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 13 11.556 7.593 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.921 7.744 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.470 6.109 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.865 8.625 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.228 8.444 -2.613 1.00 0.00 H new ATOM 191 N THR A 14 12.024 4.336 -4.155 1.00 0.00 N ATOM 192 CA THR A 14 12.181 3.071 -4.930 1.00 0.00 C ATOM 193 C THR A 14 10.924 2.827 -5.783 1.00 0.00 C ATOM 194 O THR A 14 10.898 1.954 -6.628 1.00 0.00 O ATOM 195 CB THR A 14 12.370 1.914 -3.928 1.00 0.00 C ATOM 196 OG1 THR A 14 13.705 1.930 -3.445 1.00 0.00 O ATOM 197 CG2 THR A 14 12.086 0.558 -4.589 1.00 0.00 C ATOM 0 H THR A 14 11.946 4.211 -3.146 1.00 0.00 H new ATOM 0 HA THR A 14 13.044 3.137 -5.593 1.00 0.00 H new ATOM 0 HB THR A 14 11.667 2.049 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.831 1.198 -2.806 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.227 -0.239 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.059 0.539 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.770 0.410 -5.425 1.00 0.00 H new ATOM 205 N LEU A 15 9.884 3.576 -5.561 1.00 0.00 N ATOM 206 CA LEU A 15 8.640 3.375 -6.340 1.00 0.00 C ATOM 207 C LEU A 15 8.604 4.371 -7.504 1.00 0.00 C ATOM 208 O LEU A 15 7.976 4.137 -8.517 1.00 0.00 O ATOM 209 CB LEU A 15 7.437 3.598 -5.416 1.00 0.00 C ATOM 210 CG LEU A 15 7.548 2.697 -4.183 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.609 3.206 -3.094 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.164 1.264 -4.545 1.00 0.00 C ATOM 0 H LEU A 15 9.844 4.323 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 15 8.606 2.362 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.392 4.643 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.512 3.383 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 15 8.577 2.715 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.688 2.564 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.884 4.226 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.583 3.192 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.246 0.631 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.138 1.244 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.834 0.893 -5.321 1.00 0.00 H new ATOM 224 N ALA A 16 9.275 5.483 -7.361 1.00 0.00 N ATOM 225 CA ALA A 16 9.283 6.500 -8.453 1.00 0.00 C ATOM 226 C ALA A 16 10.489 6.272 -9.373 1.00 0.00 C ATOM 227 O ALA A 16 10.537 6.777 -10.477 1.00 0.00 O ATOM 228 CB ALA A 16 9.370 7.901 -7.840 1.00 0.00 C ATOM 0 H ALA A 16 9.818 5.731 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 16 8.366 6.408 -9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.376 8.646 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.510 8.069 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.286 7.986 -7.256 1.00 0.00 H new ATOM 340 N ASP A 24 10.133 -6.131 -6.019 1.00 0.00 N ATOM 341 CA ASP A 24 9.192 -7.277 -5.876 1.00 0.00 C ATOM 342 C ASP A 24 9.632 -8.171 -4.710 1.00 0.00 C ATOM 343 O ASP A 24 8.880 -8.999 -4.236 1.00 0.00 O ATOM 344 CB ASP A 24 9.188 -8.094 -7.171 1.00 0.00 C ATOM 345 CG ASP A 24 8.696 -7.224 -8.331 1.00 0.00 C ATOM 346 OD1 ASP A 24 8.614 -6.019 -8.152 1.00 0.00 O ATOM 347 OD2 ASP A 24 8.410 -7.777 -9.380 1.00 0.00 O ATOM 0 HA ASP A 24 8.190 -6.897 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.191 -8.464 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.544 -8.966 -7.060 1.00 0.00 H new ATOM 352 N GLY A 25 10.847 -8.020 -4.246 1.00 0.00 N ATOM 353 CA GLY A 25 11.326 -8.869 -3.119 1.00 0.00 C ATOM 354 C GLY A 25 11.259 -8.090 -1.800 1.00 0.00 C ATOM 355 O GLY A 25 11.945 -8.413 -0.850 1.00 0.00 O ATOM 0 H GLY A 25 11.525 -7.346 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.716 -9.770 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.350 -9.191 -3.307 1.00 0.00 H new ATOM 359 N LEU A 26 10.438 -7.077 -1.722 1.00 0.00 N ATOM 360 CA LEU A 26 10.336 -6.304 -0.465 1.00 0.00 C ATOM 361 C LEU A 26 9.644 -7.160 0.587 1.00 0.00 C ATOM 362 O LEU A 26 9.164 -8.245 0.322 1.00 0.00 O ATOM 363 CB LEU A 26 9.474 -5.052 -0.686 1.00 0.00 C ATOM 364 CG LEU A 26 10.232 -3.988 -1.482 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.299 -2.797 -1.736 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.449 -3.513 -0.684 1.00 0.00 C ATOM 0 H LEU A 26 9.835 -6.756 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 26 11.338 -6.019 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.562 -5.325 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.172 -4.642 0.277 1.00 0.00 H new ATOM 0 HG LEU A 26 10.566 -4.411 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.831 -2.033 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.430 -3.130 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.973 -2.380 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.985 -2.755 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.119 -3.087 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.110 -4.358 -0.491 1.00 0.00 H new ATOM 378 N ALA A 27 9.546 -6.635 1.760 1.00 0.00 N ATOM 379 CA ALA A 27 8.832 -7.343 2.863 1.00 0.00 C ATOM 380 C ALA A 27 7.523 -6.585 3.129 1.00 0.00 C ATOM 381 O ALA A 27 6.894 -6.724 4.172 1.00 0.00 O ATOM 382 CB ALA A 27 9.698 -7.347 4.125 1.00 0.00 C ATOM 0 H ALA A 27 9.934 -5.728 2.017 1.00 0.00 H new ATOM 0 HA ALA A 27 8.626 -8.377 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.171 -7.865 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.639 -7.858 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.902 -6.320 4.430 1.00 0.00 H new ATOM 388 N PHE A 28 7.125 -5.766 2.181 1.00 0.00 N ATOM 389 CA PHE A 28 5.887 -4.960 2.319 1.00 0.00 C ATOM 390 C PHE A 28 5.378 -4.641 0.913 1.00 0.00 C ATOM 391 O PHE A 28 6.130 -4.220 0.056 1.00 0.00 O ATOM 392 CB PHE A 28 6.190 -3.641 3.053 1.00 0.00 C ATOM 393 CG PHE A 28 7.661 -3.286 2.911 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.164 -2.838 1.687 1.00 0.00 C ATOM 395 CD2 PHE A 28 8.514 -3.416 4.008 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.526 -2.515 1.562 1.00 0.00 C ATOM 397 CE2 PHE A 28 9.871 -3.100 3.886 1.00 0.00 C ATOM 398 CZ PHE A 28 10.380 -2.648 2.666 1.00 0.00 C ATOM 0 H PHE A 28 7.624 -5.626 1.302 1.00 0.00 H new ATOM 0 HA PHE A 28 5.143 -5.516 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.574 -2.840 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.932 -3.736 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.506 -2.740 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.125 -3.762 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.914 -2.165 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.527 -3.206 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.428 -2.402 2.574 1.00 0.00 H new ATOM 408 N GLY A 29 4.119 -4.836 0.657 1.00 0.00 N ATOM 409 CA GLY A 29 3.593 -4.533 -0.703 1.00 0.00 C ATOM 410 C GLY A 29 3.378 -3.030 -0.830 1.00 0.00 C ATOM 411 O GLY A 29 2.742 -2.420 0.003 1.00 0.00 O ATOM 0 H GLY A 29 3.433 -5.190 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.294 -4.878 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.655 -5.063 -0.870 1.00 0.00 H new ATOM 415 N ALA A 30 3.886 -2.421 -1.863 1.00 0.00 N ATOM 416 CA ALA A 30 3.681 -0.957 -2.005 1.00 0.00 C ATOM 417 C ALA A 30 2.588 -0.720 -3.037 1.00 0.00 C ATOM 418 O ALA A 30 2.711 -1.104 -4.182 1.00 0.00 O ATOM 419 CB ALA A 30 4.983 -0.272 -2.441 1.00 0.00 C ATOM 0 H ALA A 30 4.426 -2.867 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 30 3.384 -0.532 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.814 0.800 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.756 -0.450 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.305 -0.679 -3.400 1.00 0.00 H new ATOM 425 N ILE A 31 1.510 -0.103 -2.640 1.00 0.00 N ATOM 426 CA ILE A 31 0.410 0.144 -3.607 1.00 0.00 C ATOM 427 C ILE A 31 0.306 1.649 -3.877 1.00 0.00 C ATOM 428 O ILE A 31 0.585 2.465 -3.024 1.00 0.00 O ATOM 429 CB ILE A 31 -0.921 -0.419 -3.055 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.543 0.518 -2.017 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.668 -1.766 -2.383 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.361 1.601 -2.723 1.00 0.00 C ATOM 0 H ILE A 31 1.346 0.238 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 31 0.622 -0.366 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.606 -0.523 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.181 -0.048 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.761 0.976 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.607 -2.161 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.254 -2.464 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.038 -1.636 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.802 2.266 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.711 2.175 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.153 1.135 -3.309 1.00 0.00 H new ATOM 444 N GLN A 32 -0.100 2.020 -5.053 1.00 0.00 N ATOM 445 CA GLN A 32 -0.234 3.462 -5.375 1.00 0.00 C ATOM 446 C GLN A 32 -1.698 3.734 -5.691 1.00 0.00 C ATOM 447 O GLN A 32 -2.467 2.817 -5.893 1.00 0.00 O ATOM 448 CB GLN A 32 0.635 3.804 -6.589 1.00 0.00 C ATOM 449 CG GLN A 32 2.046 4.170 -6.123 1.00 0.00 C ATOM 450 CD GLN A 32 2.624 5.251 -7.038 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.120 6.355 -7.089 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.670 4.977 -7.770 1.00 0.00 N ATOM 0 H GLN A 32 -0.346 1.383 -5.810 1.00 0.00 H new ATOM 0 HA GLN A 32 0.092 4.074 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.675 2.955 -7.271 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.196 4.635 -7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.019 4.527 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.685 3.287 -6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.094 4.050 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.064 5.690 -8.384 1.00 0.00 H new ATOM 461 N LEU A 33 -2.104 4.969 -5.733 1.00 0.00 N ATOM 462 CA LEU A 33 -3.532 5.246 -6.035 1.00 0.00 C ATOM 463 C LEU A 33 -3.687 6.619 -6.687 1.00 0.00 C ATOM 464 O LEU A 33 -3.058 7.581 -6.290 1.00 0.00 O ATOM 465 CB LEU A 33 -4.343 5.237 -4.736 1.00 0.00 C ATOM 466 CG LEU A 33 -4.684 3.797 -4.345 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.511 3.801 -3.058 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.493 3.136 -5.465 1.00 0.00 C ATOM 0 H LEU A 33 -1.518 5.789 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.892 4.475 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.774 5.715 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.258 5.815 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.761 3.239 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.754 2.776 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.937 4.268 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.432 4.362 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.734 2.111 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.415 3.694 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.906 3.131 -6.384 1.00 0.00 H new ATOM 480 N ASP A 34 -4.554 6.730 -7.653 1.00 0.00 N ATOM 481 CA ASP A 34 -4.791 8.047 -8.290 1.00 0.00 C ATOM 482 C ASP A 34 -5.967 8.661 -7.555 1.00 0.00 C ATOM 483 O ASP A 34 -6.604 7.985 -6.788 1.00 0.00 O ATOM 484 CB ASP A 34 -5.126 7.873 -9.772 1.00 0.00 C ATOM 485 CG ASP A 34 -4.805 9.168 -10.521 1.00 0.00 C ATOM 486 OD1 ASP A 34 -3.880 9.852 -10.113 1.00 0.00 O ATOM 487 OD2 ASP A 34 -5.491 9.455 -11.488 1.00 0.00 O ATOM 0 H ASP A 34 -5.109 5.961 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.906 8.681 -8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.553 7.046 -10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.180 7.623 -9.891 1.00 0.00 H new ATOM 492 N GLY A 35 -6.235 9.921 -7.754 1.00 0.00 N ATOM 493 CA GLY A 35 -7.359 10.590 -7.024 1.00 0.00 C ATOM 494 C GLY A 35 -8.657 9.766 -7.057 1.00 0.00 C ATOM 495 O GLY A 35 -9.524 9.950 -6.225 1.00 0.00 O ATOM 0 H GLY A 35 -5.722 10.525 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.066 10.758 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.543 11.569 -7.466 1.00 0.00 H new ATOM 499 N ASP A 36 -8.823 8.880 -8.001 1.00 0.00 N ATOM 500 CA ASP A 36 -10.094 8.087 -8.054 1.00 0.00 C ATOM 501 C ASP A 36 -9.945 6.772 -7.279 1.00 0.00 C ATOM 502 O ASP A 36 -10.777 5.893 -7.370 1.00 0.00 O ATOM 503 CB ASP A 36 -10.431 7.771 -9.513 1.00 0.00 C ATOM 504 CG ASP A 36 -11.093 8.987 -10.167 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.474 9.893 -9.444 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.210 8.988 -11.381 1.00 0.00 O ATOM 0 H ASP A 36 -8.144 8.669 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.891 8.675 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.524 7.503 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.099 6.911 -9.564 1.00 0.00 H new ATOM 511 N GLY A 37 -8.894 6.631 -6.525 1.00 0.00 N ATOM 512 CA GLY A 37 -8.689 5.378 -5.753 1.00 0.00 C ATOM 513 C GLY A 37 -8.226 4.285 -6.716 1.00 0.00 C ATOM 514 O GLY A 37 -8.485 3.117 -6.509 1.00 0.00 O ATOM 0 H GLY A 37 -8.164 7.334 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.946 5.533 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.615 5.081 -5.260 1.00 0.00 H new ATOM 518 N ASN A 38 -7.581 4.652 -7.796 1.00 0.00 N ATOM 519 CA ASN A 38 -7.163 3.598 -8.787 1.00 0.00 C ATOM 520 C ASN A 38 -5.706 3.172 -8.578 1.00 0.00 C ATOM 521 O ASN A 38 -4.807 3.978 -8.539 1.00 0.00 O ATOM 522 CB ASN A 38 -7.324 4.132 -10.208 1.00 0.00 C ATOM 523 CG ASN A 38 -8.795 4.459 -10.469 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.670 3.956 -9.794 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.107 5.287 -11.428 1.00 0.00 N ATOM 0 H ASN A 38 -7.328 5.611 -8.036 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.803 2.729 -8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.713 5.024 -10.343 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.972 3.393 -10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.085 5.511 -11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.373 5.710 -11.996 1.00 0.00 H new ATOM 532 N ILE A 39 -5.472 1.897 -8.460 1.00 0.00 N ATOM 533 CA ILE A 39 -4.077 1.403 -8.250 1.00 0.00 C ATOM 534 C ILE A 39 -3.148 1.913 -9.362 1.00 0.00 C ATOM 535 O ILE A 39 -3.457 1.847 -10.535 1.00 0.00 O ATOM 536 CB ILE A 39 -4.085 -0.157 -8.202 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.500 -0.631 -6.867 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.256 -0.781 -9.341 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.615 -1.219 -6.002 1.00 0.00 C ATOM 0 H ILE A 39 -6.186 1.170 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.698 1.786 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.121 -0.477 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.727 -1.380 -7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.025 0.202 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.293 -1.868 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.667 -0.471 -10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.222 -0.446 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.199 -1.556 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.372 -0.457 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.070 -2.064 -6.519 1.00 0.00 H new ATOM 551 N LEU A 40 -1.989 2.367 -8.983 1.00 0.00 N ATOM 552 CA LEU A 40 -0.989 2.829 -9.988 1.00 0.00 C ATOM 553 C LEU A 40 0.177 1.832 -9.973 1.00 0.00 C ATOM 554 O LEU A 40 0.861 1.638 -10.958 1.00 0.00 O ATOM 555 CB LEU A 40 -0.460 4.226 -9.635 1.00 0.00 C ATOM 556 CG LEU A 40 -1.541 5.048 -8.930 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.934 6.369 -8.456 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.686 5.326 -9.906 1.00 0.00 C ATOM 0 H LEU A 40 -1.687 2.439 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.456 2.882 -10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.415 4.138 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.138 4.739 -10.541 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.927 4.496 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.698 6.961 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.117 6.166 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.553 6.923 -9.314 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.457 5.912 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.307 5.883 -10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.111 4.382 -10.246 1.00 0.00 H new ATOM 570 N GLN A 41 0.397 1.199 -8.847 1.00 0.00 N ATOM 571 CA GLN A 41 1.504 0.204 -8.725 1.00 0.00 C ATOM 572 C GLN A 41 1.170 -0.734 -7.540 1.00 0.00 C ATOM 573 O GLN A 41 0.361 -0.409 -6.700 1.00 0.00 O ATOM 574 CB GLN A 41 2.830 0.976 -8.518 1.00 0.00 C ATOM 575 CG GLN A 41 3.867 0.136 -7.761 1.00 0.00 C ATOM 576 CD GLN A 41 3.676 0.285 -6.243 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.521 -0.139 -5.480 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.605 0.867 -5.759 1.00 0.00 N ATOM 0 H GLN A 41 -0.151 1.332 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 41 1.614 -0.408 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.236 1.267 -9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.633 1.895 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.772 -0.912 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.873 0.451 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.890 1.226 -6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.487 0.960 -4.750 1.00 0.00 H new ATOM 587 N TYR A 42 1.759 -1.900 -7.481 1.00 0.00 N ATOM 588 CA TYR A 42 1.439 -2.849 -6.364 1.00 0.00 C ATOM 589 C TYR A 42 2.718 -3.605 -5.958 1.00 0.00 C ATOM 590 O TYR A 42 3.211 -3.454 -4.854 1.00 0.00 O ATOM 591 CB TYR A 42 0.378 -3.843 -6.870 1.00 0.00 C ATOM 592 CG TYR A 42 -0.554 -4.287 -5.757 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.383 -3.358 -5.116 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.608 -5.639 -5.389 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.268 -3.783 -4.109 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.488 -6.060 -4.382 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.317 -5.137 -3.743 1.00 0.00 C ATOM 598 OH TYR A 42 -3.192 -5.566 -2.758 1.00 0.00 O ATOM 0 H TYR A 42 2.446 -2.239 -8.154 1.00 0.00 H new ATOM 0 HA TYR A 42 1.059 -2.309 -5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.203 -3.380 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.872 -4.714 -7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.343 -2.315 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.030 -6.358 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.910 -3.067 -3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.524 -7.102 -4.100 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.094 -6.533 -2.632 1.00 0.00 H new ATOM 608 N ASN A 43 3.240 -4.405 -6.868 1.00 0.00 N ATOM 609 CA ASN A 43 4.493 -5.216 -6.640 1.00 0.00 C ATOM 610 C ASN A 43 4.114 -6.666 -6.288 1.00 0.00 C ATOM 611 O ASN A 43 2.951 -7.013 -6.225 1.00 0.00 O ATOM 612 CB ASN A 43 5.423 -4.575 -5.575 1.00 0.00 C ATOM 613 CG ASN A 43 5.147 -5.102 -4.160 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.070 -5.582 -3.870 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.089 -5.019 -3.261 1.00 0.00 N ATOM 0 H ASN A 43 2.833 -4.534 -7.795 1.00 0.00 H new ATOM 0 HA ASN A 43 5.070 -5.226 -7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.462 -4.775 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.293 -3.493 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.921 -5.358 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.993 -4.616 -3.506 1.00 0.00 H new ATOM 622 N ALA A 44 5.086 -7.523 -6.105 1.00 0.00 N ATOM 623 CA ALA A 44 4.773 -8.957 -5.810 1.00 0.00 C ATOM 624 C ALA A 44 4.772 -9.247 -4.303 1.00 0.00 C ATOM 625 O ALA A 44 4.293 -10.277 -3.878 1.00 0.00 O ATOM 626 CB ALA A 44 5.817 -9.846 -6.489 1.00 0.00 C ATOM 0 H ALA A 44 6.079 -7.295 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 44 3.774 -9.168 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.596 -10.892 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.792 -9.679 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.808 -9.601 -6.107 1.00 0.00 H new ATOM 632 N ALA A 45 5.302 -8.376 -3.490 1.00 0.00 N ATOM 633 CA ALA A 45 5.314 -8.658 -2.020 1.00 0.00 C ATOM 634 C ALA A 45 3.881 -8.863 -1.523 1.00 0.00 C ATOM 635 O ALA A 45 3.524 -9.927 -1.054 1.00 0.00 O ATOM 636 CB ALA A 45 5.952 -7.488 -1.273 1.00 0.00 C ATOM 0 H ALA A 45 5.723 -7.491 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 45 5.894 -9.562 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.958 -7.699 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.975 -7.349 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.378 -6.580 -1.461 1.00 0.00 H new ATOM 642 N GLU A 46 3.059 -7.855 -1.614 1.00 0.00 N ATOM 643 CA GLU A 46 1.651 -8.007 -1.146 1.00 0.00 C ATOM 644 C GLU A 46 0.966 -9.084 -1.962 1.00 0.00 C ATOM 645 O GLU A 46 0.357 -9.977 -1.435 1.00 0.00 O ATOM 646 CB GLU A 46 0.867 -6.706 -1.321 1.00 0.00 C ATOM 647 CG GLU A 46 1.138 -6.078 -2.689 1.00 0.00 C ATOM 648 CD GLU A 46 0.614 -4.647 -2.691 1.00 0.00 C ATOM 649 OE1 GLU A 46 -0.391 -4.402 -2.044 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.317 -3.716 -3.424 1.00 0.00 O ATOM 0 H GLU A 46 3.298 -6.937 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 46 1.674 -8.271 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.200 -6.903 -1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.142 -6.004 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.207 -6.088 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.651 -6.658 -3.473 1.00 0.00 H new ATOM 658 N GLY A 47 1.065 -9.003 -3.247 1.00 0.00 N ATOM 659 CA GLY A 47 0.415 -10.032 -4.111 1.00 0.00 C ATOM 660 C GLY A 47 0.962 -11.426 -3.767 1.00 0.00 C ATOM 661 O GLY A 47 0.408 -12.428 -4.162 1.00 0.00 O ATOM 0 H GLY A 47 1.568 -8.270 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.665 -10.010 -3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.601 -9.808 -5.161 1.00 0.00 H new ATOM 665 N ASP A 48 2.052 -11.504 -3.048 1.00 0.00 N ATOM 666 CA ASP A 48 2.616 -12.841 -2.699 1.00 0.00 C ATOM 667 C ASP A 48 1.852 -13.433 -1.509 1.00 0.00 C ATOM 668 O ASP A 48 1.591 -14.618 -1.456 1.00 0.00 O ATOM 669 CB ASP A 48 4.093 -12.687 -2.330 1.00 0.00 C ATOM 670 CG ASP A 48 4.669 -14.048 -1.937 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.521 -14.423 -0.787 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.251 -14.693 -2.796 1.00 0.00 O ATOM 0 H ASP A 48 2.573 -10.704 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 48 2.519 -13.508 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.648 -12.276 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.200 -11.983 -1.504 1.00 0.00 H new ATOM 677 N ILE A 49 1.495 -12.621 -0.548 1.00 0.00 N ATOM 678 CA ILE A 49 0.758 -13.141 0.636 1.00 0.00 C ATOM 679 C ILE A 49 -0.740 -13.197 0.308 1.00 0.00 C ATOM 680 O ILE A 49 -1.431 -14.142 0.636 1.00 0.00 O ATOM 681 CB ILE A 49 1.051 -12.204 1.828 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.990 -12.903 2.812 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.218 -11.780 2.581 1.00 0.00 C ATOM 684 CD1 ILE A 49 1.365 -14.220 3.279 1.00 0.00 C ATOM 0 H ILE A 49 1.684 -11.619 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 49 1.078 -14.150 0.896 1.00 0.00 H new ATOM 0 HB ILE A 49 1.510 -11.306 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.952 -13.095 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.181 -12.256 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.052 -11.123 3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.886 -11.252 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.722 -12.664 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.038 -14.714 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.414 -14.017 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.197 -14.868 2.419 1.00 0.00 H new ATOM 696 N THR A 50 -1.236 -12.172 -0.315 1.00 0.00 N ATOM 697 CA THR A 50 -2.690 -12.120 -0.652 1.00 0.00 C ATOM 698 C THR A 50 -2.924 -12.752 -2.028 1.00 0.00 C ATOM 699 O THR A 50 -3.969 -13.312 -2.293 1.00 0.00 O ATOM 700 CB THR A 50 -3.229 -10.655 -0.657 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.604 -10.282 -1.986 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.197 -9.644 -0.112 1.00 0.00 C ATOM 0 H THR A 50 -0.697 -11.358 -0.610 1.00 0.00 H new ATOM 0 HA THR A 50 -3.229 -12.677 0.114 1.00 0.00 H new ATOM 0 HB THR A 50 -4.096 -10.629 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.451 -10.715 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.622 -8.641 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.941 -9.904 0.915 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.299 -9.673 -0.729 1.00 0.00 H new ATOM 710 N GLY A 51 -1.974 -12.647 -2.913 1.00 0.00 N ATOM 711 CA GLY A 51 -2.164 -13.218 -4.269 1.00 0.00 C ATOM 712 C GLY A 51 -2.531 -12.100 -5.257 1.00 0.00 C ATOM 713 O GLY A 51 -2.692 -12.336 -6.438 1.00 0.00 O ATOM 0 H GLY A 51 -1.076 -12.191 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.252 -13.718 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.951 -13.972 -4.249 1.00 0.00 H new ATOM 717 N ARG A 52 -2.677 -10.884 -4.784 1.00 0.00 N ATOM 718 CA ARG A 52 -3.048 -9.764 -5.698 1.00 0.00 C ATOM 719 C ARG A 52 -1.899 -9.444 -6.648 1.00 0.00 C ATOM 720 O ARG A 52 -0.931 -8.810 -6.279 1.00 0.00 O ATOM 721 CB ARG A 52 -3.369 -8.514 -4.879 1.00 0.00 C ATOM 722 CG ARG A 52 -4.880 -8.410 -4.705 1.00 0.00 C ATOM 723 CD ARG A 52 -5.292 -6.957 -4.481 1.00 0.00 C ATOM 724 NE ARG A 52 -6.030 -6.819 -3.184 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.158 -7.464 -2.978 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.673 -8.247 -3.894 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.812 -7.279 -1.864 1.00 0.00 N ATOM 0 H ARG A 52 -2.555 -10.622 -3.806 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.920 -10.069 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.881 -8.566 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.986 -7.626 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.382 -8.805 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.198 -9.019 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.409 -6.318 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.923 -6.620 -5.304 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.653 -6.217 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.198 -8.366 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.549 -8.737 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.448 -6.638 -1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.687 -7.776 -1.698 1.00 0.00 H new ATOM 741 N ASP A 53 -2.013 -9.852 -7.875 1.00 0.00 N ATOM 742 CA ASP A 53 -0.942 -9.547 -8.860 1.00 0.00 C ATOM 743 C ASP A 53 -1.006 -8.052 -9.198 1.00 0.00 C ATOM 744 O ASP A 53 -1.980 -7.402 -8.879 1.00 0.00 O ATOM 745 CB ASP A 53 -1.161 -10.370 -10.130 1.00 0.00 C ATOM 746 CG ASP A 53 -0.346 -11.660 -10.049 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.759 -12.554 -9.328 1.00 0.00 O ATOM 748 OD2 ASP A 53 0.679 -11.733 -10.706 1.00 0.00 O ATOM 0 H ASP A 53 -2.802 -10.385 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 53 0.033 -9.796 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.219 -10.603 -10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.863 -9.793 -11.006 1.00 0.00 H new ATOM 753 N PRO A 54 0.026 -7.539 -9.830 1.00 0.00 N ATOM 754 CA PRO A 54 0.081 -6.116 -10.206 1.00 0.00 C ATOM 755 C PRO A 54 -0.795 -5.857 -11.435 1.00 0.00 C ATOM 756 O PRO A 54 -1.457 -4.844 -11.536 1.00 0.00 O ATOM 757 CB PRO A 54 1.562 -5.881 -10.522 1.00 0.00 C ATOM 758 CG PRO A 54 2.161 -7.267 -10.857 1.00 0.00 C ATOM 759 CD PRO A 54 1.223 -8.315 -10.230 1.00 0.00 C ATOM 0 HA PRO A 54 -0.288 -5.450 -9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.676 -5.195 -11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.074 -5.432 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.233 -7.407 -11.936 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.170 -7.360 -10.455 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.969 -9.099 -10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.687 -8.802 -9.372 1.00 0.00 H new ATOM 767 N LYS A 55 -0.804 -6.767 -12.368 1.00 0.00 N ATOM 768 CA LYS A 55 -1.635 -6.578 -13.586 1.00 0.00 C ATOM 769 C LYS A 55 -3.114 -6.749 -13.225 1.00 0.00 C ATOM 770 O LYS A 55 -3.989 -6.257 -13.908 1.00 0.00 O ATOM 771 CB LYS A 55 -1.241 -7.618 -14.638 1.00 0.00 C ATOM 772 CG LYS A 55 -0.929 -6.917 -15.961 1.00 0.00 C ATOM 773 CD LYS A 55 0.586 -6.864 -16.163 1.00 0.00 C ATOM 774 CE LYS A 55 1.080 -8.214 -16.683 1.00 0.00 C ATOM 775 NZ LYS A 55 2.004 -8.821 -15.683 1.00 0.00 N ATOM 0 H LYS A 55 -0.270 -7.635 -12.338 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.473 -5.577 -13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.371 -8.181 -14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.051 -8.335 -14.777 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.399 -7.450 -16.787 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.342 -5.908 -15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.842 -6.075 -16.870 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.081 -6.622 -15.222 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.235 -8.878 -16.864 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.592 -8.084 -17.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.970 -9.857 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.974 -8.491 -15.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.713 -8.539 -14.725 1.00 0.00 H new ATOM 789 N GLN A 56 -3.399 -7.444 -12.156 1.00 0.00 N ATOM 790 CA GLN A 56 -4.821 -7.645 -11.755 1.00 0.00 C ATOM 791 C GLN A 56 -5.305 -6.429 -10.964 1.00 0.00 C ATOM 792 O GLN A 56 -6.364 -5.894 -11.220 1.00 0.00 O ATOM 793 CB GLN A 56 -4.938 -8.900 -10.887 1.00 0.00 C ATOM 794 CG GLN A 56 -6.399 -9.103 -10.477 1.00 0.00 C ATOM 795 CD GLN A 56 -6.598 -10.538 -9.987 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.944 -10.972 -9.060 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.481 -11.297 -10.573 1.00 0.00 N ATOM 0 H GLN A 56 -2.709 -7.880 -11.544 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.435 -7.765 -12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.579 -9.770 -11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.311 -8.802 -10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.668 -8.398 -9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.056 -8.902 -11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.030 -10.933 -11.351 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.623 -12.255 -10.253 1.00 0.00 H new ATOM 806 N VAL A 57 -4.533 -5.982 -10.010 1.00 0.00 N ATOM 807 CA VAL A 57 -4.953 -4.792 -9.215 1.00 0.00 C ATOM 808 C VAL A 57 -4.970 -3.557 -10.112 1.00 0.00 C ATOM 809 O VAL A 57 -5.466 -2.517 -9.730 1.00 0.00 O ATOM 810 CB VAL A 57 -3.972 -4.550 -8.066 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.190 -5.601 -6.978 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.536 -4.632 -8.591 1.00 0.00 C ATOM 0 H VAL A 57 -3.634 -6.387 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.948 -4.977 -8.811 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.142 -3.559 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.491 -5.428 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.211 -5.531 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.024 -6.595 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.839 -4.459 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.360 -5.620 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.386 -3.875 -9.360 1.00 0.00 H new ATOM 822 N ILE A 58 -4.426 -3.650 -11.297 1.00 0.00 N ATOM 823 CA ILE A 58 -4.421 -2.468 -12.193 1.00 0.00 C ATOM 824 C ILE A 58 -5.857 -2.176 -12.628 1.00 0.00 C ATOM 825 O ILE A 58 -6.535 -3.004 -13.202 1.00 0.00 O ATOM 826 CB ILE A 58 -3.485 -2.740 -13.390 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.144 -2.087 -13.080 1.00 0.00 C ATOM 828 CG2 ILE A 58 -4.033 -2.152 -14.704 1.00 0.00 C ATOM 829 CD1 ILE A 58 -1.066 -2.654 -14.005 1.00 0.00 C ATOM 0 H ILE A 58 -3.989 -4.490 -11.677 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.041 -1.585 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.396 -3.818 -13.527 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.216 -1.007 -13.210 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.874 -2.266 -12.039 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.340 -2.369 -15.517 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.003 -2.598 -14.925 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.145 -1.073 -14.601 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.109 -2.184 -13.779 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.986 -3.730 -13.854 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.334 -2.452 -15.042 1.00 0.00 H new ATOM 841 N GLY A 59 -6.318 -1.001 -12.328 1.00 0.00 N ATOM 842 CA GLY A 59 -7.717 -0.631 -12.685 1.00 0.00 C ATOM 843 C GLY A 59 -8.636 -0.966 -11.506 1.00 0.00 C ATOM 844 O GLY A 59 -9.735 -0.459 -11.398 1.00 0.00 O ATOM 0 H GLY A 59 -5.787 -0.274 -11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.777 0.432 -12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.034 -1.173 -13.576 1.00 0.00 H new ATOM 848 N LYS A 60 -8.187 -1.815 -10.617 1.00 0.00 N ATOM 849 CA LYS A 60 -9.016 -2.186 -9.437 1.00 0.00 C ATOM 850 C LYS A 60 -8.912 -1.088 -8.386 1.00 0.00 C ATOM 851 O LYS A 60 -7.831 -0.644 -8.045 1.00 0.00 O ATOM 852 CB LYS A 60 -8.497 -3.493 -8.822 1.00 0.00 C ATOM 853 CG LYS A 60 -8.250 -4.526 -9.923 1.00 0.00 C ATOM 854 CD LYS A 60 -9.572 -4.879 -10.606 1.00 0.00 C ATOM 855 CE LYS A 60 -9.597 -6.373 -10.929 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.897 -6.721 -11.571 1.00 0.00 N ATOM 0 H LYS A 60 -7.275 -2.269 -10.661 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.050 -2.313 -9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.574 -3.305 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.221 -3.880 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.546 -4.130 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.798 -5.423 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.409 -4.623 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.688 -4.297 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.771 -6.626 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.462 -6.955 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.914 -7.737 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.677 -6.494 -10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.008 -6.175 -12.449 1.00 0.00 H new ATOM 870 N ASN A 61 -10.016 -0.663 -7.848 1.00 0.00 N ATOM 871 CA ASN A 61 -9.959 0.383 -6.798 1.00 0.00 C ATOM 872 C ASN A 61 -9.387 -0.259 -5.535 1.00 0.00 C ATOM 873 O ASN A 61 -9.910 -1.234 -5.037 1.00 0.00 O ATOM 874 CB ASN A 61 -11.368 0.908 -6.518 1.00 0.00 C ATOM 875 CG ASN A 61 -11.424 2.409 -6.808 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.748 3.195 -5.941 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.119 2.843 -8.001 1.00 0.00 N ATOM 0 H ASN A 61 -10.951 -0.993 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.335 1.217 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.093 0.380 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.638 0.718 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.153 3.842 -8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.847 2.183 -8.730 1.00 0.00 H new ATOM 884 N PHE A 62 -8.312 0.265 -5.016 1.00 0.00 N ATOM 885 CA PHE A 62 -7.713 -0.343 -3.790 1.00 0.00 C ATOM 886 C PHE A 62 -8.620 -0.135 -2.574 1.00 0.00 C ATOM 887 O PHE A 62 -8.312 -0.581 -1.487 1.00 0.00 O ATOM 888 CB PHE A 62 -6.355 0.299 -3.494 1.00 0.00 C ATOM 889 CG PHE A 62 -5.765 -0.371 -2.278 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.150 -1.621 -2.404 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.860 0.242 -1.021 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.628 -2.259 -1.274 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.331 -0.394 0.106 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.715 -1.644 -0.021 1.00 0.00 C ATOM 0 H PHE A 62 -7.823 1.082 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.595 -1.411 -3.975 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.688 0.187 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.472 1.368 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.078 -2.093 -3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.341 1.204 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.158 -3.227 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.398 0.079 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.306 -2.135 0.850 1.00 0.00 H new ATOM 904 N PHE A 63 -9.710 0.554 -2.721 1.00 0.00 N ATOM 905 CA PHE A 63 -10.569 0.797 -1.531 1.00 0.00 C ATOM 906 C PHE A 63 -11.896 0.037 -1.617 1.00 0.00 C ATOM 907 O PHE A 63 -12.582 -0.120 -0.625 1.00 0.00 O ATOM 908 CB PHE A 63 -10.849 2.290 -1.423 1.00 0.00 C ATOM 909 CG PHE A 63 -9.612 2.983 -0.917 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.126 2.700 0.363 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.958 3.915 -1.725 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.982 3.349 0.837 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.814 4.568 -1.252 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.327 4.285 0.031 1.00 0.00 C ATOM 0 H PHE A 63 -10.042 0.955 -3.598 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.038 0.437 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.135 2.691 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.685 2.469 -0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.635 1.979 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.334 4.132 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.605 3.128 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.307 5.290 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.445 4.790 0.397 1.00 0.00 H new ATOM 924 N LYS A 64 -12.283 -0.421 -2.775 1.00 0.00 N ATOM 925 CA LYS A 64 -13.584 -1.146 -2.868 1.00 0.00 C ATOM 926 C LYS A 64 -13.474 -2.329 -3.831 1.00 0.00 C ATOM 927 O LYS A 64 -14.041 -3.378 -3.599 1.00 0.00 O ATOM 928 CB LYS A 64 -14.661 -0.182 -3.371 1.00 0.00 C ATOM 929 CG LYS A 64 -15.866 -0.229 -2.431 1.00 0.00 C ATOM 930 CD LYS A 64 -16.852 0.877 -2.810 1.00 0.00 C ATOM 931 CE LYS A 64 -18.270 0.303 -2.857 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.530 -0.284 -4.204 1.00 0.00 N ATOM 0 H LYS A 64 -11.765 -0.328 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.849 -1.523 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.263 0.832 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.964 -0.454 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.353 -1.202 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.540 -0.102 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.801 1.689 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.587 1.299 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.390 -0.460 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.997 1.087 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.494 -0.673 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.433 0.455 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.844 -1.044 -4.390 1.00 0.00 H new ATOM 946 N ASP A 65 -12.770 -2.171 -4.914 1.00 0.00 N ATOM 947 CA ASP A 65 -12.656 -3.292 -5.886 1.00 0.00 C ATOM 948 C ASP A 65 -11.442 -4.167 -5.559 1.00 0.00 C ATOM 949 O ASP A 65 -11.156 -5.115 -6.263 1.00 0.00 O ATOM 950 CB ASP A 65 -12.506 -2.725 -7.299 1.00 0.00 C ATOM 951 CG ASP A 65 -13.417 -3.495 -8.258 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.828 -4.589 -7.907 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.690 -2.976 -9.328 1.00 0.00 O ATOM 0 H ASP A 65 -12.270 -1.319 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.556 -3.903 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.764 -1.666 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.469 -2.802 -7.625 1.00 0.00 H new ATOM 958 N VAL A 66 -10.718 -3.870 -4.510 1.00 0.00 N ATOM 959 CA VAL A 66 -9.542 -4.693 -4.177 1.00 0.00 C ATOM 960 C VAL A 66 -9.681 -5.115 -2.727 1.00 0.00 C ATOM 961 O VAL A 66 -10.008 -6.239 -2.411 1.00 0.00 O ATOM 962 CB VAL A 66 -8.311 -3.803 -4.362 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.067 -4.367 -3.688 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.010 -3.662 -5.837 1.00 0.00 C ATOM 0 H VAL A 66 -10.899 -3.091 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.454 -5.580 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.547 -2.844 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.226 -3.693 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.247 -4.467 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.836 -5.345 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.133 -3.028 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.815 -4.646 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.864 -3.210 -6.341 1.00 0.00 H new ATOM 974 N ALA A 67 -9.430 -4.196 -1.854 1.00 0.00 N ATOM 975 CA ALA A 67 -9.518 -4.472 -0.410 1.00 0.00 C ATOM 976 C ALA A 67 -10.880 -3.990 0.121 1.00 0.00 C ATOM 977 O ALA A 67 -11.089 -2.800 0.251 1.00 0.00 O ATOM 978 CB ALA A 67 -8.397 -3.686 0.255 1.00 0.00 C ATOM 0 H ALA A 67 -9.161 -3.241 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.425 -5.538 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.420 -3.858 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.437 -4.013 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.530 -2.623 0.055 1.00 0.00 H new ATOM 984 N PRO A 68 -11.773 -4.915 0.418 1.00 0.00 N ATOM 985 CA PRO A 68 -13.109 -4.566 0.934 1.00 0.00 C ATOM 986 C PRO A 68 -13.035 -4.144 2.407 1.00 0.00 C ATOM 987 O PRO A 68 -14.033 -3.816 3.017 1.00 0.00 O ATOM 988 CB PRO A 68 -13.912 -5.860 0.773 1.00 0.00 C ATOM 989 CG PRO A 68 -12.880 -7.009 0.710 1.00 0.00 C ATOM 990 CD PRO A 68 -11.544 -6.374 0.282 1.00 0.00 C ATOM 0 HA PRO A 68 -13.558 -3.724 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.597 -5.999 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.517 -5.831 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.784 -7.498 1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.192 -7.772 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.723 -6.709 0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.286 -6.643 -0.742 1.00 0.00 H new ATOM 998 N CYS A 69 -11.862 -4.144 2.986 1.00 0.00 N ATOM 999 CA CYS A 69 -11.735 -3.739 4.411 1.00 0.00 C ATOM 1000 C CYS A 69 -11.102 -2.342 4.497 1.00 0.00 C ATOM 1001 O CYS A 69 -11.203 -1.665 5.500 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.853 -4.759 5.147 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.135 -4.633 4.573 1.00 0.00 S ATOM 0 H CYS A 69 -10.988 -4.408 2.530 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.721 -3.710 4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.899 -4.582 6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.229 -5.767 4.974 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.401 -5.500 5.206 1.00 0.00 H new ATOM 1008 N THR A 70 -10.439 -1.914 3.453 1.00 0.00 N ATOM 1009 CA THR A 70 -9.791 -0.572 3.480 1.00 0.00 C ATOM 1010 C THR A 70 -10.847 0.528 3.328 1.00 0.00 C ATOM 1011 O THR A 70 -10.538 1.702 3.374 1.00 0.00 O ATOM 1012 CB THR A 70 -8.773 -0.473 2.341 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.356 -0.961 1.142 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.540 -1.308 2.686 1.00 0.00 C ATOM 0 H THR A 70 -10.320 -2.436 2.585 1.00 0.00 H new ATOM 0 HA THR A 70 -9.282 -0.441 4.435 1.00 0.00 H new ATOM 0 HB THR A 70 -8.480 0.568 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.796 -0.708 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.815 -1.238 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.093 -0.933 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.832 -2.349 2.822 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.091 0.169 3.158 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.145 1.209 3.022 1.00 0.00 C ATOM 1024 C ASP A 71 -13.691 1.544 4.410 1.00 0.00 C ATOM 1025 O ASP A 71 -14.883 1.531 4.646 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.276 0.685 2.132 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.212 1.838 1.766 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.360 2.735 2.580 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.765 1.804 0.679 1.00 0.00 O ATOM 0 H ASP A 71 -12.420 -0.795 3.108 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.724 2.105 2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.864 0.236 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.830 -0.096 2.652 1.00 0.00 H new ATOM 1034 N SER A 72 -12.817 1.847 5.327 1.00 0.00 N ATOM 1035 CA SER A 72 -13.256 2.189 6.710 1.00 0.00 C ATOM 1036 C SER A 72 -12.766 3.604 7.048 1.00 0.00 C ATOM 1037 O SER A 72 -12.100 4.220 6.241 1.00 0.00 O ATOM 1038 CB SER A 72 -12.660 1.187 7.702 1.00 0.00 C ATOM 1039 OG SER A 72 -11.958 0.176 6.993 1.00 0.00 O ATOM 0 H SER A 72 -11.808 1.873 5.178 1.00 0.00 H new ATOM 0 HA SER A 72 -14.343 2.148 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.986 1.698 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.452 0.741 8.304 1.00 0.00 H new ATOM 0 HG SER A 72 -11.401 -0.334 7.617 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.111 4.088 8.227 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.713 5.439 8.670 1.00 0.00 C ATOM 1047 C PRO A 73 -11.252 5.462 9.145 1.00 0.00 C ATOM 1048 O PRO A 73 -10.712 6.506 9.454 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.669 5.734 9.828 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.161 4.365 10.351 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.924 3.347 9.220 1.00 0.00 C ATOM 0 HA PRO A 73 -12.772 6.177 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.163 6.291 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.507 6.345 9.493 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.618 4.077 11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.217 4.409 10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.400 2.463 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.865 3.005 8.789 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.606 4.329 9.206 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.189 4.306 9.656 1.00 0.00 C ATOM 1061 C GLU A 74 -8.279 4.023 8.461 1.00 0.00 C ATOM 1062 O GLU A 74 -7.103 4.325 8.477 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.000 3.217 10.704 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.442 3.832 11.990 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.588 4.108 12.964 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.222 3.156 13.388 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.812 5.268 13.272 1.00 0.00 O ATOM 0 H GLU A 74 -11.000 3.420 8.963 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.934 5.273 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.951 2.725 10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.319 2.452 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.719 3.155 12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.913 4.758 11.763 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.815 3.450 7.422 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.987 3.165 6.224 1.00 0.00 C ATOM 1076 C PHE A 75 -8.342 4.204 5.161 1.00 0.00 C ATOM 1077 O PHE A 75 -7.591 5.130 4.901 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.292 1.756 5.709 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.013 1.112 5.238 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.476 1.461 3.996 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.364 0.168 6.042 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.288 0.870 3.555 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.174 -0.427 5.601 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.637 -0.074 4.355 1.00 0.00 C ATOM 0 H PHE A 75 -9.792 3.167 7.352 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.925 3.217 6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.745 1.157 6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.012 1.803 4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.979 2.188 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.780 -0.102 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.873 1.143 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.672 -1.156 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.720 -0.531 4.013 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.505 4.096 4.576 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.907 5.114 3.575 1.00 0.00 C ATOM 1096 C TYR A 76 -10.194 6.420 4.319 1.00 0.00 C ATOM 1097 O TYR A 76 -10.213 7.476 3.736 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.162 4.657 2.829 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.408 5.578 1.655 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.403 5.779 0.699 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.639 6.231 1.523 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.631 6.631 -0.389 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.867 7.084 0.437 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.863 7.285 -0.519 1.00 0.00 C ATOM 1105 OH TYR A 76 -12.089 8.124 -1.591 1.00 0.00 O ATOM 0 H TYR A 76 -10.184 3.355 4.748 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.109 5.256 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.039 3.631 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.021 4.666 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.452 5.277 0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.413 6.077 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.858 6.784 -1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.817 7.587 0.336 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.994 8.496 -1.530 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.407 6.348 5.613 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.671 7.579 6.412 1.00 0.00 C ATOM 1117 C GLY A 77 -9.451 8.489 6.366 1.00 0.00 C ATOM 1118 O GLY A 77 -9.510 9.607 5.896 1.00 0.00 O ATOM 0 H GLY A 77 -10.408 5.481 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.542 8.101 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.900 7.313 7.444 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.342 8.012 6.861 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.107 8.848 6.855 1.00 0.00 C ATOM 1124 C LYS A 78 -6.719 9.183 5.416 1.00 0.00 C ATOM 1125 O LYS A 78 -5.946 10.081 5.162 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.976 8.092 7.560 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.515 7.397 8.826 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.598 8.252 9.506 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.551 8.040 11.022 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.935 7.839 11.536 1.00 0.00 N ATOM 0 H LYS A 78 -8.237 7.083 7.268 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.290 9.780 7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.546 7.353 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.177 8.783 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.928 6.423 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.697 7.218 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.443 9.305 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.582 7.982 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.933 7.174 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.093 8.902 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.906 7.238 12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.353 8.760 11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.513 7.378 10.805 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.261 8.471 4.480 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.964 8.731 3.059 1.00 0.00 C ATOM 1146 C PHE A 79 -7.815 9.896 2.561 1.00 0.00 C ATOM 1147 O PHE A 79 -7.366 10.707 1.793 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.315 7.471 2.285 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.217 7.684 0.788 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.237 8.367 0.114 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.130 7.166 0.067 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.171 8.530 -1.275 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -6.068 7.333 -1.316 1.00 0.00 C ATOM 1154 CZ PHE A 79 -7.087 8.010 -1.987 1.00 0.00 C ATOM 0 H PHE A 79 -7.912 7.703 4.646 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.913 8.988 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.645 6.664 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.327 7.157 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.074 8.768 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.342 6.638 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.957 9.057 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.229 6.937 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.038 8.132 -3.059 1.00 0.00 H new ATOM 1164 N LYS A 80 -9.040 9.986 2.989 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.900 11.096 2.531 1.00 0.00 C ATOM 1166 C LYS A 80 -9.518 12.372 3.272 1.00 0.00 C ATOM 1167 O LYS A 80 -9.931 13.456 2.914 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.366 10.761 2.817 1.00 0.00 C ATOM 1169 CG LYS A 80 -12.127 10.601 1.500 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.367 11.496 1.519 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.391 10.977 0.509 1.00 0.00 C ATOM 1172 NZ LYS A 80 -15.736 11.527 0.840 1.00 0.00 N ATOM 0 H LYS A 80 -9.480 9.334 3.638 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.764 11.241 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.432 9.842 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.819 11.551 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.485 10.868 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.418 9.560 1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.802 11.510 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.091 12.522 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.104 11.272 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.417 9.887 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.434 11.175 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.009 11.225 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.706 12.566 0.801 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.715 12.256 4.292 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.300 13.484 5.032 1.00 0.00 C ATOM 1188 C GLU A 81 -6.938 13.911 4.503 1.00 0.00 C ATOM 1189 O GLU A 81 -6.664 15.076 4.324 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.234 13.214 6.539 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.121 12.215 6.841 1.00 0.00 C ATOM 1192 CD GLU A 81 -7.055 11.967 8.349 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -8.107 11.823 8.952 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -5.955 11.926 8.876 1.00 0.00 O ATOM 0 H GLU A 81 -8.332 11.378 4.643 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.030 14.279 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.054 14.145 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.190 12.824 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.306 11.278 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.166 12.599 6.482 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.093 12.960 4.234 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.750 13.288 3.686 1.00 0.00 C ATOM 1203 C GLY A 82 -4.932 13.876 2.287 1.00 0.00 C ATOM 1204 O GLY A 82 -4.253 14.802 1.891 1.00 0.00 O ATOM 0 H GLY A 82 -6.274 11.966 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.240 14.001 4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.128 12.394 3.644 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.851 13.331 1.537 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.104 13.830 0.151 1.00 0.00 C ATOM 1210 C VAL A 83 -6.513 15.312 0.174 1.00 0.00 C ATOM 1211 O VAL A 83 -6.128 16.082 -0.684 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.241 13.008 -0.470 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.587 13.550 -1.858 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.810 11.548 -0.596 1.00 0.00 C ATOM 0 H VAL A 83 -6.444 12.553 1.827 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.191 13.727 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.118 13.080 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.395 12.959 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.903 14.590 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.710 13.488 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.619 10.966 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.927 11.483 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.575 11.151 0.392 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.312 15.711 1.126 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.769 17.133 1.175 1.00 0.00 C ATOM 1226 C ALA A 84 -6.659 18.050 1.702 1.00 0.00 C ATOM 1227 O ALA A 84 -6.411 19.111 1.164 1.00 0.00 O ATOM 1228 CB ALA A 84 -8.989 17.237 2.094 1.00 0.00 C ATOM 0 H ALA A 84 -7.669 15.115 1.873 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.027 17.450 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.327 18.272 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.791 16.608 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.719 16.905 3.096 1.00 0.00 H new ATOM 1234 N SER A 85 -6.004 17.660 2.757 1.00 0.00 N ATOM 1235 CA SER A 85 -4.925 18.516 3.331 1.00 0.00 C ATOM 1236 C SER A 85 -3.738 18.583 2.367 1.00 0.00 C ATOM 1237 O SER A 85 -2.924 19.483 2.434 1.00 0.00 O ATOM 1238 CB SER A 85 -4.463 17.921 4.662 1.00 0.00 C ATOM 1239 OG SER A 85 -4.700 18.860 5.703 1.00 0.00 O ATOM 0 H SER A 85 -6.168 16.782 3.250 1.00 0.00 H new ATOM 0 HA SER A 85 -5.313 19.522 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.998 16.993 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.403 17.673 4.614 1.00 0.00 H new ATOM 0 HG SER A 85 -4.407 18.481 6.558 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.628 17.639 1.477 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.486 17.652 0.521 1.00 0.00 C ATOM 1247 C GLY A 86 -1.233 17.106 1.211 1.00 0.00 C ATOM 1248 O GLY A 86 -0.129 17.265 0.730 1.00 0.00 O ATOM 0 H GLY A 86 -4.278 16.860 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.724 17.047 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.306 18.667 0.168 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.393 16.461 2.337 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.212 15.905 3.053 1.00 0.00 C ATOM 1254 C ASN A 87 -0.594 14.563 3.677 1.00 0.00 C ATOM 1255 O ASN A 87 -0.461 14.356 4.866 1.00 0.00 O ATOM 1256 CB ASN A 87 0.227 16.873 4.152 1.00 0.00 C ATOM 1257 CG ASN A 87 0.790 18.145 3.518 1.00 0.00 C ATOM 1258 OD1 ASN A 87 1.381 18.099 2.457 1.00 0.00 O ATOM 1259 ND2 ASN A 87 0.635 19.287 4.128 1.00 0.00 N ATOM 0 H ASN A 87 -2.292 16.296 2.790 1.00 0.00 H new ATOM 0 HA ASN A 87 0.610 15.765 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.619 17.118 4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.982 16.404 4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.010 20.141 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.139 19.326 5.018 1.00 0.00 H new ATOM 1266 N LEU A 88 -1.068 13.651 2.876 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.463 12.317 3.410 1.00 0.00 C ATOM 1268 C LEU A 88 -0.289 11.703 4.164 1.00 0.00 C ATOM 1269 O LEU A 88 0.783 11.549 3.632 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.868 11.409 2.245 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.887 10.380 2.732 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -4.159 10.476 1.887 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.294 8.974 2.599 1.00 0.00 C ATOM 0 H LEU A 88 -1.200 13.772 1.872 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.306 12.427 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.294 12.004 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.990 10.904 1.841 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.130 10.578 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.884 9.741 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.583 11.476 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.918 10.279 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.020 8.239 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.051 8.779 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.389 8.902 3.202 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.477 11.362 5.408 1.00 0.00 N ATOM 1286 CA ASN A 89 0.640 10.759 6.186 1.00 0.00 C ATOM 1287 C ASN A 89 0.080 10.049 7.419 1.00 0.00 C ATOM 1288 O ASN A 89 -0.022 10.632 8.482 1.00 0.00 O ATOM 1289 CB ASN A 89 1.613 11.857 6.624 1.00 0.00 C ATOM 1290 CG ASN A 89 0.851 12.941 7.389 1.00 0.00 C ATOM 1291 OD1 ASN A 89 -0.363 12.940 7.420 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.518 13.873 8.013 1.00 0.00 N ATOM 0 H ASN A 89 -1.353 11.474 5.918 1.00 0.00 H new ATOM 0 HA ASN A 89 1.167 10.038 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.395 11.434 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.105 12.290 5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.020 14.600 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.538 13.874 7.987 1.00 0.00 H new ATOM 1299 N THR A 90 -0.289 8.804 7.298 1.00 0.00 N ATOM 1300 CA THR A 90 -0.842 8.086 8.479 1.00 0.00 C ATOM 1301 C THR A 90 -0.292 6.657 8.539 1.00 0.00 C ATOM 1302 O THR A 90 0.259 6.146 7.586 1.00 0.00 O ATOM 1303 CB THR A 90 -2.368 8.044 8.382 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.876 7.126 9.340 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.780 7.600 6.979 1.00 0.00 C ATOM 0 H THR A 90 -0.232 8.257 6.439 1.00 0.00 H new ATOM 0 HA THR A 90 -0.546 8.615 9.385 1.00 0.00 H new ATOM 0 HB THR A 90 -2.773 9.037 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.616 6.618 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.868 7.571 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.390 8.305 6.245 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.377 6.607 6.779 1.00 0.00 H new ATOM 1313 N MET A 91 -0.444 6.019 9.667 1.00 0.00 N ATOM 1314 CA MET A 91 0.055 4.623 9.834 1.00 0.00 C ATOM 1315 C MET A 91 -0.735 3.964 10.962 1.00 0.00 C ATOM 1316 O MET A 91 -1.138 4.608 11.909 1.00 0.00 O ATOM 1317 CB MET A 91 1.542 4.649 10.197 1.00 0.00 C ATOM 1318 CG MET A 91 1.735 5.444 11.490 1.00 0.00 C ATOM 1319 SD MET A 91 3.491 5.825 11.706 1.00 0.00 S ATOM 1320 CE MET A 91 3.279 7.230 12.825 1.00 0.00 C ATOM 0 H MET A 91 -0.899 6.411 10.492 1.00 0.00 H new ATOM 0 HA MET A 91 -0.073 4.064 8.907 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.915 3.633 10.323 1.00 0.00 H new ATOM 0 HB3 MET A 91 2.117 5.102 9.389 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.154 6.365 11.453 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.369 4.870 12.341 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.256 7.631 13.094 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.693 8.004 12.330 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.760 6.903 13.726 1.00 0.00 H new ATOM 1330 N PHE A 92 -0.970 2.691 10.863 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.745 1.997 11.925 1.00 0.00 C ATOM 1332 C PHE A 92 -1.514 0.493 11.828 1.00 0.00 C ATOM 1333 O PHE A 92 -0.732 0.021 11.033 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.239 2.296 11.747 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.627 2.192 10.285 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.469 3.294 9.437 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.155 0.998 9.781 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.836 3.202 8.087 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.524 0.905 8.431 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.365 2.005 7.586 1.00 0.00 C ATOM 0 H PHE A 92 -0.660 2.099 10.093 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.416 2.352 12.902 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.830 1.596 12.338 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.464 3.295 12.119 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.063 4.217 9.823 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.279 0.146 10.433 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.711 4.053 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.931 -0.018 8.045 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.650 1.933 6.547 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.199 -0.266 12.627 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.036 -1.740 12.565 1.00 0.00 C ATOM 1352 C GLU A 93 -3.302 -2.318 11.948 1.00 0.00 C ATOM 1353 O GLU A 93 -4.330 -2.413 12.589 1.00 0.00 O ATOM 1354 CB GLU A 93 -1.830 -2.302 13.974 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.760 -3.829 13.913 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.927 -4.426 14.701 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -4.024 -3.908 14.579 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -2.703 -5.391 15.414 1.00 0.00 O ATOM 0 H GLU A 93 -2.866 0.070 13.322 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.166 -2.006 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.912 -1.903 14.405 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.648 -1.991 14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.798 -4.164 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.813 -4.177 14.326 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.247 -2.682 10.700 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.461 -3.223 10.041 1.00 0.00 C ATOM 1367 C TYR A 94 -4.333 -4.730 9.868 1.00 0.00 C ATOM 1368 O TYR A 94 -3.256 -5.259 9.673 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.630 -2.568 8.671 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.079 -2.199 8.467 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.665 -1.198 9.251 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.835 -2.856 7.491 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.008 -0.854 9.058 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.178 -2.513 7.298 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.765 -1.511 8.081 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.089 -1.173 7.890 1.00 0.00 O ATOM 0 H TYR A 94 -2.416 -2.628 10.111 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.330 -3.007 10.662 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.004 -1.679 8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.303 -3.251 7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.081 -0.691 10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.382 -3.628 6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.460 -0.082 9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.762 -3.021 6.545 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.426 -1.614 7.082 1.00 0.00 H new ATOM 1386 N THR A 95 -5.430 -5.421 9.929 1.00 0.00 N ATOM 1387 CA THR A 95 -5.391 -6.893 9.759 1.00 0.00 C ATOM 1388 C THR A 95 -6.162 -7.265 8.494 1.00 0.00 C ATOM 1389 O THR A 95 -7.372 -7.163 8.443 1.00 0.00 O ATOM 1390 CB THR A 95 -6.041 -7.570 10.967 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.437 -7.090 12.160 1.00 0.00 O ATOM 1392 CG2 THR A 95 -5.848 -9.083 10.865 1.00 0.00 C ATOM 0 H THR A 95 -6.357 -5.027 10.090 1.00 0.00 H new ATOM 0 HA THR A 95 -4.356 -7.225 9.677 1.00 0.00 H new ATOM 0 HB THR A 95 -7.107 -7.342 10.985 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.854 -7.522 12.935 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.310 -9.568 11.725 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.313 -9.448 9.949 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.783 -9.314 10.848 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.478 -7.696 7.473 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.189 -8.069 6.219 1.00 0.00 C ATOM 1402 C PHE A 96 -6.802 -9.458 6.389 1.00 0.00 C ATOM 1403 O PHE A 96 -6.110 -10.456 6.402 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.208 -8.090 5.038 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.646 -6.703 4.757 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.262 -5.549 5.274 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.501 -6.579 3.961 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.730 -4.285 4.992 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -2.971 -5.314 3.682 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.586 -4.168 4.197 1.00 0.00 C ATOM 0 H PHE A 96 -4.464 -7.806 7.451 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.970 -7.335 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.391 -8.778 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.715 -8.466 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.146 -5.638 5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.025 -7.462 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.204 -3.399 5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.087 -5.223 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.177 -3.192 3.980 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.097 -9.525 6.520 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.757 -10.845 6.691 1.00 0.00 C ATOM 1422 C ASP A 97 -9.726 -11.077 5.536 1.00 0.00 C ATOM 1423 O ASP A 97 -10.744 -11.721 5.687 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.524 -10.869 8.015 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.308 -12.215 8.709 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.545 -13.230 8.075 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -8.911 -12.207 9.862 1.00 0.00 O ATOM 0 H ASP A 97 -8.726 -8.722 6.516 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.002 -11.631 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.184 -10.058 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.587 -10.708 7.834 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.408 -10.576 4.377 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.304 -10.794 3.215 1.00 0.00 C ATOM 1434 C TYR A 98 -10.032 -12.207 2.698 1.00 0.00 C ATOM 1435 O TYR A 98 -9.011 -12.760 3.028 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.035 -9.712 2.138 1.00 0.00 C ATOM 1437 CG TYR A 98 -8.882 -10.089 1.222 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -7.779 -10.792 1.721 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.934 -9.742 -0.131 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -6.732 -11.153 0.868 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.881 -10.097 -0.986 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.782 -10.802 -0.486 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.757 -11.163 -1.332 1.00 0.00 O ATOM 0 H TYR A 98 -8.569 -10.027 4.186 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.355 -10.707 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.936 -9.562 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.814 -8.763 2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.737 -11.056 2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.785 -9.201 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -5.886 -11.702 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.919 -9.826 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.549 -12.112 -1.207 1.00 0.00 H new ATOM 1453 N GLN A 99 -10.931 -12.764 1.909 1.00 0.00 N ATOM 1454 CA GLN A 99 -10.787 -14.165 1.334 1.00 0.00 C ATOM 1455 C GLN A 99 -9.439 -14.812 1.684 1.00 0.00 C ATOM 1456 O GLN A 99 -8.599 -15.026 0.831 1.00 0.00 O ATOM 1457 CB GLN A 99 -10.918 -14.092 -0.189 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.156 -13.273 -0.557 1.00 0.00 C ATOM 1459 CD GLN A 99 -12.842 -13.902 -1.771 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.332 -15.011 -1.699 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -12.898 -13.236 -2.890 1.00 0.00 N ATOM 0 H GLN A 99 -11.791 -12.294 1.627 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.572 -14.781 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.026 -13.636 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.996 -15.096 -0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.846 -13.238 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.872 -12.244 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.486 -12.305 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.353 -13.646 -3.705 1.00 0.00 H new ATOM 1470 N MET A 100 -9.218 -15.093 2.940 1.00 0.00 N ATOM 1471 CA MET A 100 -7.914 -15.689 3.350 1.00 0.00 C ATOM 1472 C MET A 100 -7.848 -15.829 4.877 1.00 0.00 C ATOM 1473 O MET A 100 -8.855 -15.855 5.556 1.00 0.00 O ATOM 1474 CB MET A 100 -6.778 -14.769 2.891 1.00 0.00 C ATOM 1475 CG MET A 100 -5.685 -15.611 2.232 1.00 0.00 C ATOM 1476 SD MET A 100 -4.627 -14.545 1.228 1.00 0.00 S ATOM 1477 CE MET A 100 -4.272 -13.313 2.506 1.00 0.00 C ATOM 0 H MET A 100 -9.882 -14.936 3.698 1.00 0.00 H new ATOM 0 HA MET A 100 -7.816 -16.674 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.156 -14.027 2.188 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.370 -14.223 3.741 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.092 -16.117 2.994 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.133 -16.386 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.426 -12.700 2.195 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.146 -12.678 2.652 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.030 -13.818 3.441 1.00 0.00 H new ATOM 1487 N THR A 101 -6.656 -15.915 5.412 1.00 0.00 N ATOM 1488 CA THR A 101 -6.489 -16.049 6.890 1.00 0.00 C ATOM 1489 C THR A 101 -6.291 -14.651 7.500 1.00 0.00 C ATOM 1490 O THR A 101 -6.273 -13.673 6.779 1.00 0.00 O ATOM 1491 CB THR A 101 -5.257 -16.919 7.181 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.643 -17.304 5.959 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.683 -18.171 7.951 1.00 0.00 C ATOM 0 H THR A 101 -5.784 -15.898 4.883 1.00 0.00 H new ATOM 0 HA THR A 101 -7.373 -16.515 7.326 1.00 0.00 H new ATOM 0 HB THR A 101 -4.548 -16.347 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.857 -17.857 6.148 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.808 -18.787 8.157 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.150 -17.878 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.395 -18.740 7.354 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.144 -14.583 8.809 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.946 -13.299 9.504 1.00 0.00 C ATOM 1503 C PRO A 102 -4.499 -12.826 9.347 1.00 0.00 C ATOM 1504 O PRO A 102 -3.587 -13.369 9.939 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.267 -13.623 10.966 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.084 -15.150 11.128 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.160 -15.757 9.715 1.00 0.00 C ATOM 0 HA PRO A 102 -6.570 -12.497 9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.603 -13.079 11.638 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.286 -13.326 11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.126 -15.378 11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.860 -15.567 11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.317 -16.420 9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.067 -16.348 9.584 1.00 0.00 H new ATOM 1515 N THR A 103 -4.282 -11.817 8.547 1.00 0.00 N ATOM 1516 CA THR A 103 -2.896 -11.308 8.344 1.00 0.00 C ATOM 1517 C THR A 103 -2.734 -9.971 9.068 1.00 0.00 C ATOM 1518 O THR A 103 -3.552 -9.087 8.946 1.00 0.00 O ATOM 1519 CB THR A 103 -2.640 -11.126 6.828 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.283 -12.380 6.264 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.508 -10.110 6.563 1.00 0.00 C ATOM 0 H THR A 103 -5.006 -11.323 8.025 1.00 0.00 H new ATOM 0 HA THR A 103 -2.176 -12.019 8.748 1.00 0.00 H new ATOM 0 HB THR A 103 -3.553 -10.745 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.121 -12.272 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.355 -10.007 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.781 -9.143 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.587 -10.462 7.028 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.661 -9.806 9.783 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.421 -8.510 10.465 1.00 0.00 C ATOM 1531 C LYS A 104 -0.420 -7.745 9.612 1.00 0.00 C ATOM 1532 O LYS A 104 0.401 -8.346 8.943 1.00 0.00 O ATOM 1533 CB LYS A 104 -0.827 -8.742 11.861 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.268 -7.615 12.797 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.516 -8.047 13.570 1.00 0.00 C ATOM 1536 CE LYS A 104 -2.117 -8.489 14.979 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.882 -9.712 15.351 1.00 0.00 N ATOM 0 H LYS A 104 -0.940 -10.513 9.925 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.354 -7.959 10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.157 -9.704 12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.261 -8.777 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.464 -7.370 13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.478 -6.713 12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.227 -7.222 13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.015 -8.864 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.047 -8.690 15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.318 -7.690 15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.611 -10.013 16.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.901 -9.504 15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.669 -10.474 14.676 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.456 -6.443 9.610 1.00 0.00 N ATOM 1552 CA VAL A 105 0.527 -5.710 8.769 1.00 0.00 C ATOM 1553 C VAL A 105 0.795 -4.304 9.297 1.00 0.00 C ATOM 1554 O VAL A 105 -0.095 -3.600 9.741 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.010 -5.579 7.341 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.175 -6.967 6.722 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.366 -4.862 7.352 1.00 0.00 C ATOM 0 H VAL A 105 -1.108 -5.866 10.141 1.00 0.00 H new ATOM 0 HA VAL A 105 1.455 -6.281 8.792 1.00 0.00 H new ATOM 0 HB VAL A 105 0.698 -4.998 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.557 -6.869 5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.790 -7.472 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.876 -7.551 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.739 -4.774 6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.075 -5.434 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.248 -3.868 7.782 1.00 0.00 H new ATOM 1567 N LYS A 106 2.017 -3.875 9.167 1.00 0.00 N ATOM 1568 CA LYS A 106 2.378 -2.491 9.557 1.00 0.00 C ATOM 1569 C LYS A 106 1.957 -1.651 8.371 1.00 0.00 C ATOM 1570 O LYS A 106 2.646 -1.617 7.385 1.00 0.00 O ATOM 1571 CB LYS A 106 3.896 -2.377 9.724 1.00 0.00 C ATOM 1572 CG LYS A 106 4.248 -1.996 11.151 1.00 0.00 C ATOM 1573 CD LYS A 106 4.754 -3.242 11.879 1.00 0.00 C ATOM 1574 CE LYS A 106 4.895 -2.944 13.372 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.339 -2.880 13.732 1.00 0.00 N ATOM 0 H LYS A 106 2.789 -4.433 8.802 1.00 0.00 H new ATOM 0 HA LYS A 106 1.909 -2.188 10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.368 -3.326 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.288 -1.629 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.012 -1.218 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.374 -1.589 11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.062 -4.070 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.715 -3.551 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.407 -1.999 13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.398 -3.718 13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.435 -2.677 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.791 -3.791 13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.800 -2.126 13.184 1.00 0.00 H new ATOM 1589 N VAL A 107 0.822 -1.031 8.406 1.00 0.00 N ATOM 1590 CA VAL A 107 0.398 -0.283 7.202 1.00 0.00 C ATOM 1591 C VAL A 107 0.886 1.158 7.263 1.00 0.00 C ATOM 1592 O VAL A 107 1.027 1.745 8.317 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.124 -0.267 7.133 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.671 -1.682 7.074 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.655 0.425 8.382 1.00 0.00 C ATOM 0 H VAL A 107 0.180 -1.008 9.198 1.00 0.00 H new ATOM 0 HA VAL A 107 0.823 -0.772 6.325 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.439 0.264 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.759 -1.650 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.283 -2.185 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.364 -2.228 7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.744 0.446 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.328 -0.121 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.273 1.445 8.423 1.00 0.00 H new ATOM 1605 N HIS A 108 1.128 1.729 6.126 1.00 0.00 N ATOM 1606 CA HIS A 108 1.593 3.141 6.083 1.00 0.00 C ATOM 1607 C HIS A 108 1.061 3.782 4.808 1.00 0.00 C ATOM 1608 O HIS A 108 1.506 3.489 3.728 1.00 0.00 O ATOM 1609 CB HIS A 108 3.124 3.184 6.090 1.00 0.00 C ATOM 1610 CG HIS A 108 3.591 4.612 6.005 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.935 4.948 5.982 1.00 0.00 N ATOM 1612 CD2 HIS A 108 2.906 5.799 5.938 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.017 6.288 5.904 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.808 6.857 5.874 1.00 0.00 N ATOM 0 H HIS A 108 1.024 1.279 5.216 1.00 0.00 H new ATOM 0 HA HIS A 108 1.227 3.684 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.506 2.720 6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.517 2.612 5.250 1.00 0.00 H new ATOM 0 HD1 HIS A 108 5.720 4.297 6.018 1.00 0.00 H new ATOM 0 HD2 HIS A 108 1.830 5.897 5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.946 6.837 5.870 1.00 0.00 H new ATOM 1622 N MET A 109 0.098 4.641 4.917 1.00 0.00 N ATOM 1623 CA MET A 109 -0.460 5.272 3.690 1.00 0.00 C ATOM 1624 C MET A 109 0.089 6.699 3.570 1.00 0.00 C ATOM 1625 O MET A 109 -0.139 7.511 4.443 1.00 0.00 O ATOM 1626 CB MET A 109 -1.991 5.297 3.804 1.00 0.00 C ATOM 1627 CG MET A 109 -2.496 3.951 4.362 1.00 0.00 C ATOM 1628 SD MET A 109 -4.273 3.800 4.055 1.00 0.00 S ATOM 1629 CE MET A 109 -4.796 5.213 5.054 1.00 0.00 C ATOM 0 H MET A 109 -0.329 4.936 5.795 1.00 0.00 H new ATOM 0 HA MET A 109 -0.174 4.707 2.803 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.303 6.112 4.457 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.434 5.485 2.826 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.963 3.126 3.889 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.294 3.890 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.523 4.884 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.930 5.642 5.559 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.250 5.966 4.410 1.00 0.00 H new ATOM 1639 N LYS A 110 0.822 7.037 2.520 1.00 0.00 N ATOM 1640 CA LYS A 110 1.355 8.440 2.457 1.00 0.00 C ATOM 1641 C LYS A 110 1.269 8.974 1.028 1.00 0.00 C ATOM 1642 O LYS A 110 1.440 8.248 0.072 1.00 0.00 O ATOM 1643 CB LYS A 110 2.818 8.442 2.910 1.00 0.00 C ATOM 1644 CG LYS A 110 3.039 9.473 4.017 1.00 0.00 C ATOM 1645 CD LYS A 110 4.530 9.801 4.117 1.00 0.00 C ATOM 1646 CE LYS A 110 4.782 11.208 3.569 1.00 0.00 C ATOM 1647 NZ LYS A 110 5.455 12.034 4.612 1.00 0.00 N ATOM 0 H LYS A 110 1.063 6.428 1.738 1.00 0.00 H new ATOM 0 HA LYS A 110 0.760 9.078 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.094 7.451 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.466 8.666 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.470 10.378 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.676 9.084 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.858 9.739 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.112 9.071 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.403 11.156 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.839 11.670 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.627 12.990 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.847 12.094 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.362 11.595 4.871 1.00 0.00 H new ATOM 1661 N LYS A 111 1.018 10.245 0.879 1.00 0.00 N ATOM 1662 CA LYS A 111 0.928 10.840 -0.481 1.00 0.00 C ATOM 1663 C LYS A 111 2.199 10.509 -1.259 1.00 0.00 C ATOM 1664 O LYS A 111 3.292 10.547 -0.729 1.00 0.00 O ATOM 1665 CB LYS A 111 0.781 12.359 -0.365 1.00 0.00 C ATOM 1666 CG LYS A 111 1.806 12.894 0.636 1.00 0.00 C ATOM 1667 CD LYS A 111 2.408 14.198 0.108 1.00 0.00 C ATOM 1668 CE LYS A 111 3.529 14.654 1.044 1.00 0.00 C ATOM 1669 NZ LYS A 111 4.589 15.342 0.253 1.00 0.00 N ATOM 0 H LYS A 111 0.871 10.900 1.647 1.00 0.00 H new ATOM 0 HA LYS A 111 0.062 10.432 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.930 12.825 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.228 12.614 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.331 13.066 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.593 12.157 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.797 14.050 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.638 14.967 0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.132 15.328 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.951 13.796 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.351 15.652 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.975 14.685 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.182 16.169 -0.228 1.00 0.00 H new ATOM 1683 N ALA A 112 2.065 10.177 -2.507 1.00 0.00 N ATOM 1684 CA ALA A 112 3.263 9.834 -3.314 1.00 0.00 C ATOM 1685 C ALA A 112 3.805 11.099 -3.985 1.00 0.00 C ATOM 1686 O ALA A 112 3.113 12.089 -4.114 1.00 0.00 O ATOM 1687 CB ALA A 112 2.870 8.797 -4.363 1.00 0.00 C ATOM 0 H ALA A 112 1.176 10.128 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 112 4.043 9.419 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.743 8.537 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.491 7.903 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.095 9.209 -5.010 1.00 0.00 H new ATOM 1693 N LEU A 113 5.045 11.082 -4.395 1.00 0.00 N ATOM 1694 CA LEU A 113 5.636 12.293 -5.038 1.00 0.00 C ATOM 1695 C LEU A 113 5.386 12.278 -6.550 1.00 0.00 C ATOM 1696 O LEU A 113 5.679 13.236 -7.238 1.00 0.00 O ATOM 1697 CB LEU A 113 7.144 12.317 -4.777 1.00 0.00 C ATOM 1698 CG LEU A 113 7.487 13.501 -3.872 1.00 0.00 C ATOM 1699 CD1 LEU A 113 8.552 13.077 -2.859 1.00 0.00 C ATOM 1700 CD2 LEU A 113 8.025 14.653 -4.724 1.00 0.00 C ATOM 0 H LEU A 113 5.674 10.283 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 113 5.166 13.180 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.457 11.384 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.686 12.397 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 113 6.591 13.826 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.797 13.921 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.171 12.255 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.448 12.753 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.270 15.498 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.921 14.327 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.267 14.955 -5.447 1.00 0.00 H new ATOM 1742 N SER A 117 -0.509 11.788 -5.389 1.00 0.00 N ATOM 1743 CA SER A 117 -0.875 10.344 -5.412 1.00 0.00 C ATOM 1744 C SER A 117 -1.151 9.853 -3.988 1.00 0.00 C ATOM 1745 O SER A 117 -1.170 10.620 -3.046 1.00 0.00 O ATOM 1746 CB SER A 117 0.273 9.538 -6.017 1.00 0.00 C ATOM 1747 OG SER A 117 -0.167 8.928 -7.224 1.00 0.00 O ATOM 0 HA SER A 117 -1.773 10.211 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.125 10.188 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.609 8.777 -5.313 1.00 0.00 H new ATOM 0 HG SER A 117 0.602 8.546 -7.697 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.370 8.576 -3.830 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.654 8.021 -2.474 1.00 0.00 C ATOM 1755 C TYR A 118 -1.191 6.567 -2.433 1.00 0.00 C ATOM 1756 O TYR A 118 -1.729 5.723 -3.124 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.164 8.072 -2.211 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.702 9.401 -2.629 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.617 10.497 -1.769 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.294 9.532 -3.883 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.126 11.731 -2.170 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.805 10.759 -4.286 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.724 11.866 -3.431 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.232 13.085 -3.829 1.00 0.00 O ATOM 0 H TYR A 118 -1.365 7.890 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.130 8.605 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.666 7.276 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.365 7.904 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.159 10.389 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.356 8.679 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.060 12.583 -1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.265 10.860 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.610 13.004 -4.730 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.203 6.258 -1.640 1.00 0.00 N ATOM 1775 CA TRP A 119 0.264 4.850 -1.588 1.00 0.00 C ATOM 1776 C TRP A 119 0.087 4.261 -0.201 1.00 0.00 C ATOM 1777 O TRP A 119 -0.159 4.957 0.753 1.00 0.00 O ATOM 1778 CB TRP A 119 1.710 4.734 -2.078 1.00 0.00 C ATOM 1779 CG TRP A 119 2.633 5.667 -1.371 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.201 6.759 -1.901 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.150 5.552 -0.043 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.035 7.337 -0.962 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.035 6.614 0.212 1.00 0.00 C ATOM 1784 CE3 TRP A 119 2.914 4.625 0.942 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.683 6.736 1.439 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.557 4.725 2.186 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.444 5.783 2.432 1.00 0.00 C ATOM 0 H TRP A 119 0.294 6.911 -1.034 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.357 4.263 -2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.056 3.710 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.744 4.937 -3.148 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.034 7.129 -2.902 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.578 8.186 -1.117 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.228 3.812 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.361 7.557 1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.369 3.988 2.953 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.941 5.861 3.387 1.00 0.00 H new ATOM 1798 N VAL A 120 0.181 2.960 -0.102 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.005 2.282 1.206 1.00 0.00 C ATOM 1800 C VAL A 120 0.909 1.059 1.281 1.00 0.00 C ATOM 1801 O VAL A 120 0.639 0.031 0.692 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.463 1.825 1.358 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.618 1.076 2.683 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.380 3.046 1.351 1.00 0.00 C ATOM 0 H VAL A 120 0.381 2.336 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 120 0.242 2.981 2.005 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.731 1.167 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.651 0.749 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.959 0.207 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.354 1.738 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.416 2.724 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.116 3.704 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.263 3.583 0.410 1.00 0.00 H new ATOM 1814 N PHE A 121 1.975 1.156 2.019 1.00 0.00 N ATOM 1815 CA PHE A 121 2.889 -0.001 2.159 1.00 0.00 C ATOM 1816 C PHE A 121 2.356 -0.894 3.252 1.00 0.00 C ATOM 1817 O PHE A 121 2.065 -0.450 4.347 1.00 0.00 O ATOM 1818 CB PHE A 121 4.300 0.480 2.536 1.00 0.00 C ATOM 1819 CG PHE A 121 4.710 1.608 1.616 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.154 1.710 0.332 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.635 2.556 2.051 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.518 2.757 -0.510 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.000 3.607 1.208 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.438 3.708 -0.073 1.00 0.00 C ATOM 0 H PHE A 121 2.252 1.992 2.533 1.00 0.00 H new ATOM 0 HA PHE A 121 2.946 -0.543 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.316 0.817 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.010 -0.344 2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.440 0.973 -0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.068 2.477 3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.089 2.832 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.716 4.343 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.719 4.524 -0.722 1.00 0.00 H new ATOM 1834 N VAL A 122 2.225 -2.147 2.977 1.00 0.00 N ATOM 1835 CA VAL A 122 1.726 -3.061 4.010 1.00 0.00 C ATOM 1836 C VAL A 122 2.866 -3.992 4.392 1.00 0.00 C ATOM 1837 O VAL A 122 3.284 -4.835 3.629 1.00 0.00 O ATOM 1838 CB VAL A 122 0.512 -3.839 3.456 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.386 -5.237 4.085 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.754 -3.049 3.768 1.00 0.00 C ATOM 0 H VAL A 122 2.443 -2.577 2.078 1.00 0.00 H new ATOM 0 HA VAL A 122 1.394 -2.522 4.897 1.00 0.00 H new ATOM 0 HB VAL A 122 0.652 -3.964 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.481 -5.748 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.286 -5.814 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.264 -5.141 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.622 -3.585 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.851 -2.929 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.696 -2.068 3.297 1.00 0.00 H new ATOM 1850 N LYS A 123 3.341 -3.852 5.580 1.00 0.00 N ATOM 1851 CA LYS A 123 4.443 -4.741 6.049 1.00 0.00 C ATOM 1852 C LYS A 123 3.796 -5.995 6.617 1.00 0.00 C ATOM 1853 O LYS A 123 2.628 -5.995 6.947 1.00 0.00 O ATOM 1854 CB LYS A 123 5.266 -4.035 7.130 1.00 0.00 C ATOM 1855 CG LYS A 123 6.754 -4.396 7.006 1.00 0.00 C ATOM 1856 CD LYS A 123 7.573 -3.109 7.134 1.00 0.00 C ATOM 1857 CE LYS A 123 9.066 -3.398 7.284 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.273 -4.557 8.199 1.00 0.00 N ATOM 0 H LYS A 123 3.021 -3.161 6.258 1.00 0.00 H new ATOM 0 HA LYS A 123 5.115 -4.991 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.140 -2.956 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.899 -4.319 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.038 -5.106 7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.950 -4.877 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.410 -2.486 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.224 -2.541 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.503 -3.612 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.577 -2.519 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.252 -4.551 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.616 -4.487 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.096 -5.442 7.683 1.00 0.00 H new ATOM 1872 N ARG A 124 4.521 -7.069 6.723 1.00 0.00 N ATOM 1873 CA ARG A 124 3.891 -8.310 7.263 1.00 0.00 C ATOM 1874 C ARG A 124 4.400 -8.577 8.680 1.00 0.00 C ATOM 1875 O ARG A 124 5.582 -8.731 8.916 1.00 0.00 O ATOM 1876 CB ARG A 124 4.205 -9.498 6.341 1.00 0.00 C ATOM 1877 CG ARG A 124 3.659 -10.793 6.950 1.00 0.00 C ATOM 1878 CD ARG A 124 3.078 -11.669 5.838 1.00 0.00 C ATOM 1879 NE ARG A 124 3.737 -13.009 5.855 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.518 -13.838 6.841 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.349 -13.879 7.422 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.471 -14.636 7.243 1.00 0.00 N ATOM 0 H ARG A 124 5.505 -7.146 6.466 1.00 0.00 H new ATOM 0 HA ARG A 124 2.810 -8.179 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.762 -9.333 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.282 -9.581 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.454 -11.327 7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.890 -10.565 7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.002 -11.781 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.229 -11.191 4.870 1.00 0.00 H new ATOM 0 HE ARG A 124 4.361 -13.278 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.601 -13.262 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.184 -14.528 8.191 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.383 -14.611 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.303 -15.284 8.012 1.00 0.00 H new ATOM 1896 N VAL A 125 3.500 -8.627 9.625 1.00 0.00 N ATOM 1897 CA VAL A 125 3.895 -8.879 11.045 1.00 0.00 C ATOM 1898 C VAL A 125 3.292 -10.206 11.506 1.00 0.00 C ATOM 1899 O VAL A 125 3.977 -10.938 12.201 1.00 0.00 O ATOM 1900 CB VAL A 125 3.383 -7.750 11.963 1.00 0.00 C ATOM 1901 CG1 VAL A 125 4.515 -6.764 12.241 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.228 -6.996 11.305 1.00 0.00 C ATOM 1903 OXT VAL A 125 2.153 -10.469 11.155 1.00 0.00 O ATOM 0 H VAL A 125 2.499 -8.503 9.474 1.00 0.00 H new ATOM 0 HA VAL A 125 4.983 -8.915 11.103 1.00 0.00 H new ATOM 0 HB VAL A 125 3.033 -8.199 12.893 1.00 0.00 H new ATOM 0 HG11 VAL A 125 4.152 -5.967 12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.338 -7.284 12.731 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.864 -6.336 11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.884 -6.205 11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.567 -6.558 10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.408 -7.687 11.108 1.00 0.00 H new