USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 568 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 9 SER OG : rot 0:sc= 0.815! USER MOD Set 1.2: A 96 GLN : amide:sc= -1.49 X(o=-0.68,f=-0.28) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-2) USER MOD Single : A 24 ASN : amide:sc= -0.0527 X(o=-0.053,f=0.32) USER MOD Single : A 46 SER OG : rot -31:sc= 0.791 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.021) USER MOD Single : A 63 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-2.9!) USER MOD Single : A 70 ASN : amide:sc= -1.18! K(o=-1.2!,f=-0.42) USER MOD Single : A 75 SER OG : rot -38:sc= 1.02 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 79 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-5.9!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0825) USER MOD Single : A 88 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.173 -6.441 -0.325 1.00 0.00 N ATOM 67 CA LYS A 8 -13.193 -5.413 -1.351 1.00 0.00 C ATOM 68 C LYS A 8 -11.773 -4.886 -1.568 1.00 0.00 C ATOM 69 O LYS A 8 -10.961 -4.883 -0.644 1.00 0.00 O ATOM 70 CB LYS A 8 -14.206 -4.322 -0.997 1.00 0.00 C ATOM 71 CG LYS A 8 -15.547 -4.573 -1.690 1.00 0.00 C ATOM 72 CD LYS A 8 -16.638 -4.904 -0.669 1.00 0.00 C ATOM 73 CE LYS A 8 -18.025 -4.570 -1.222 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.924 -4.129 -0.132 1.00 0.00 N ATOM 0 HA LYS A 8 -13.527 -5.830 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.351 -4.292 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.816 -3.348 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.835 -3.691 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.446 -5.395 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.591 -5.962 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.464 -4.343 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.944 -3.786 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.446 -5.445 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.861 -3.906 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.015 -4.889 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.528 -3.281 0.323 1.00 0.00 H new ATOM 88 N SER A 9 -11.517 -4.454 -2.793 1.00 0.00 N ATOM 89 CA SER A 9 -10.209 -3.926 -3.143 1.00 0.00 C ATOM 90 C SER A 9 -10.341 -2.485 -3.639 1.00 0.00 C ATOM 91 O SER A 9 -11.010 -2.228 -4.639 1.00 0.00 O ATOM 92 CB SER A 9 -9.531 -4.793 -4.206 1.00 0.00 C ATOM 93 OG SER A 9 -9.964 -4.461 -5.522 1.00 0.00 O ATOM 0 H SER A 9 -12.193 -4.459 -3.557 1.00 0.00 H new ATOM 0 HA SER A 9 -9.585 -3.940 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.450 -4.670 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.746 -5.843 -4.008 1.00 0.00 H new ATOM 0 HG SER A 9 -10.614 -3.729 -5.478 1.00 0.00 H new ATOM 99 N LEU A 10 -9.693 -1.582 -2.917 1.00 0.00 N ATOM 100 CA LEU A 10 -9.730 -0.174 -3.272 1.00 0.00 C ATOM 101 C LEU A 10 -8.352 0.257 -3.776 1.00 0.00 C ATOM 102 O LEU A 10 -7.335 -0.304 -3.371 1.00 0.00 O ATOM 103 CB LEU A 10 -10.244 0.661 -2.097 1.00 0.00 C ATOM 104 CG LEU A 10 -11.374 0.037 -1.275 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.841 0.991 -0.174 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.527 -0.408 -2.176 1.00 0.00 C ATOM 0 H LEU A 10 -9.140 -1.799 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.435 -0.005 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.407 0.867 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.589 1.621 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.987 -0.856 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.644 0.524 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.007 1.215 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.205 1.915 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.316 -0.848 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.922 0.454 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.166 -1.148 -2.891 1.00 0.00 H new ATOM 118 N THR A 11 -8.361 1.251 -4.652 1.00 0.00 N ATOM 119 CA THR A 11 -7.124 1.764 -5.216 1.00 0.00 C ATOM 120 C THR A 11 -6.725 3.070 -4.526 1.00 0.00 C ATOM 121 O THR A 11 -7.579 3.898 -4.214 1.00 0.00 O ATOM 122 CB THR A 11 -7.317 1.910 -6.726 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.087 0.767 -7.090 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.010 1.741 -7.503 1.00 0.00 C ATOM 0 H THR A 11 -9.206 1.715 -4.985 1.00 0.00 H new ATOM 0 HA THR A 11 -6.296 1.076 -5.045 1.00 0.00 H new ATOM 0 HB THR A 11 -7.745 2.889 -6.944 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.260 0.783 -8.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.204 1.854 -8.570 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.295 2.499 -7.182 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.599 0.750 -7.312 1.00 0.00 H new ATOM 132 N LEU A 12 -5.426 3.213 -4.307 1.00 0.00 N ATOM 133 CA LEU A 12 -4.903 4.404 -3.659 1.00 0.00 C ATOM 134 C LEU A 12 -3.582 4.801 -4.321 1.00 0.00 C ATOM 135 O LEU A 12 -2.751 3.945 -4.618 1.00 0.00 O ATOM 136 CB LEU A 12 -4.793 4.189 -2.149 1.00 0.00 C ATOM 137 CG LEU A 12 -5.158 2.792 -1.642 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.921 1.895 -1.569 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.891 2.868 -0.301 1.00 0.00 C ATOM 0 H LEU A 12 -4.720 2.524 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.590 5.240 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.770 4.409 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.436 4.914 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.844 2.338 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.208 0.908 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.480 1.802 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.193 2.335 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.138 1.861 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.250 3.350 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.807 3.446 -0.419 1.00 0.00 H new ATOM 151 N VAL A 13 -3.430 6.100 -4.533 1.00 0.00 N ATOM 152 CA VAL A 13 -2.224 6.621 -5.155 1.00 0.00 C ATOM 153 C VAL A 13 -1.285 7.152 -4.070 1.00 0.00 C ATOM 154 O VAL A 13 -1.625 8.095 -3.357 1.00 0.00 O ATOM 155 CB VAL A 13 -2.589 7.678 -6.200 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.480 9.087 -5.615 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.720 7.534 -7.451 1.00 0.00 C ATOM 0 H VAL A 13 -4.122 6.807 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.694 5.829 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.627 7.517 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.745 9.819 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.160 9.183 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.458 9.264 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.999 8.297 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.671 7.657 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.870 6.546 -7.886 1.00 0.00 H new ATOM 167 N LEU A 14 -0.123 6.523 -3.979 1.00 0.00 N ATOM 168 CA LEU A 14 0.868 6.921 -2.993 1.00 0.00 C ATOM 169 C LEU A 14 2.045 7.594 -3.702 1.00 0.00 C ATOM 170 O LEU A 14 2.284 7.351 -4.884 1.00 0.00 O ATOM 171 CB LEU A 14 1.274 5.725 -2.129 1.00 0.00 C ATOM 172 CG LEU A 14 0.127 4.949 -1.477 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.662 3.834 -0.576 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.815 5.891 -0.725 1.00 0.00 C ATOM 0 H LEU A 14 0.155 5.741 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 14 0.448 7.655 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.849 5.035 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.940 6.080 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.456 4.474 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.173 3.298 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.259 3.142 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.282 4.267 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.621 5.314 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.261 6.415 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.236 6.617 -1.421 1.00 0.00 H new ATOM 186 N HIS A 15 2.748 8.428 -2.950 1.00 0.00 N ATOM 187 CA HIS A 15 3.894 9.139 -3.491 1.00 0.00 C ATOM 188 C HIS A 15 5.090 8.976 -2.551 1.00 0.00 C ATOM 189 O HIS A 15 4.936 9.018 -1.332 1.00 0.00 O ATOM 190 CB HIS A 15 3.547 10.604 -3.760 1.00 0.00 C ATOM 191 CG HIS A 15 2.400 10.797 -4.723 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.546 11.427 -5.947 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.088 10.435 -4.631 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.369 11.439 -6.554 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.466 10.825 -5.737 1.00 0.00 N ATOM 0 H HIS A 15 2.546 8.627 -1.970 1.00 0.00 H new ATOM 0 HA HIS A 15 4.172 8.709 -4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.300 11.087 -2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.429 11.109 -4.155 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.413 11.816 -6.318 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.632 9.918 -3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.161 11.861 -7.526 1.00 0.00 H new ATOM 268 N LEU A 21 7.398 6.896 1.349 1.00 0.00 N ATOM 269 CA LEU A 21 5.996 6.765 0.989 1.00 0.00 C ATOM 270 C LEU A 21 5.134 7.418 2.071 1.00 0.00 C ATOM 271 O LEU A 21 4.054 7.932 1.782 1.00 0.00 O ATOM 272 CB LEU A 21 5.646 5.299 0.725 1.00 0.00 C ATOM 273 CG LEU A 21 5.985 4.769 -0.670 1.00 0.00 C ATOM 274 CD1 LEU A 21 4.884 5.121 -1.673 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.357 5.268 -1.127 1.00 0.00 C ATOM 0 HA LEU A 21 5.791 7.291 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.164 4.684 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.577 5.165 0.893 1.00 0.00 H new ATOM 0 HG LEU A 21 6.038 3.682 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.150 4.733 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.942 4.677 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.775 6.204 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.574 4.877 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.356 6.358 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.120 4.925 -0.428 1.00 0.00 H new ATOM 287 N GLY A 22 5.643 7.378 3.293 1.00 0.00 N ATOM 288 CA GLY A 22 4.932 7.960 4.419 1.00 0.00 C ATOM 289 C GLY A 22 4.258 6.875 5.261 1.00 0.00 C ATOM 290 O GLY A 22 3.228 7.121 5.887 1.00 0.00 O ATOM 0 H GLY A 22 6.539 6.952 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.627 8.527 5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.182 8.663 4.056 1.00 0.00 H new ATOM 294 N PHE A 23 4.866 5.698 5.250 1.00 0.00 N ATOM 295 CA PHE A 23 4.337 4.575 6.005 1.00 0.00 C ATOM 296 C PHE A 23 5.333 3.414 6.031 1.00 0.00 C ATOM 297 O PHE A 23 6.484 3.569 5.626 1.00 0.00 O ATOM 298 CB PHE A 23 3.061 4.120 5.295 1.00 0.00 C ATOM 299 CG PHE A 23 3.309 3.208 4.092 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.290 3.511 3.200 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.548 2.095 3.914 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.520 2.664 2.084 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.778 1.248 2.798 1.00 0.00 C ATOM 304 CZ PHE A 23 3.759 1.551 1.906 1.00 0.00 C ATOM 0 H PHE A 23 5.720 5.498 4.730 1.00 0.00 H new ATOM 0 HA PHE A 23 4.144 4.877 7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.427 3.596 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.509 4.999 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.894 4.395 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.768 1.855 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.300 2.904 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.174 0.364 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.934 0.908 1.056 1.00 0.00 H new ATOM 314 N ASN A 24 4.855 2.276 6.511 1.00 0.00 N ATOM 315 CA ASN A 24 5.689 1.089 6.595 1.00 0.00 C ATOM 316 C ASN A 24 4.824 -0.154 6.375 1.00 0.00 C ATOM 317 O ASN A 24 3.599 -0.088 6.473 1.00 0.00 O ATOM 318 CB ASN A 24 6.342 0.971 7.974 1.00 0.00 C ATOM 319 CG ASN A 24 7.867 1.039 7.865 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.428 1.840 7.136 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.503 0.157 8.630 1.00 0.00 N ATOM 0 H ASN A 24 3.900 2.150 6.846 1.00 0.00 H new ATOM 0 HA ASN A 24 6.465 1.168 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.984 1.773 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.049 0.030 8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.522 0.123 8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.971 -0.486 9.217 1.00 0.00 H new ATOM 328 N ILE A 25 5.494 -1.258 6.081 1.00 0.00 N ATOM 329 CA ILE A 25 4.802 -2.514 5.846 1.00 0.00 C ATOM 330 C ILE A 25 5.450 -3.614 6.689 1.00 0.00 C ATOM 331 O ILE A 25 6.572 -3.455 7.167 1.00 0.00 O ATOM 332 CB ILE A 25 4.760 -2.830 4.349 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.053 -2.389 3.659 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.522 -2.217 3.694 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.330 -3.241 2.419 1.00 0.00 C ATOM 0 H ILE A 25 6.509 -1.309 6.000 1.00 0.00 H new ATOM 0 HA ILE A 25 3.762 -2.441 6.162 1.00 0.00 H new ATOM 0 HB ILE A 25 4.685 -3.911 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.978 -1.340 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.888 -2.471 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.517 -2.457 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.625 -2.622 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.541 -1.135 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.254 -2.907 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.429 -4.287 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.505 -3.137 1.714 1.00 0.00 H new ATOM 347 N ILE A 26 4.715 -4.705 6.846 1.00 0.00 N ATOM 348 CA ILE A 26 5.204 -5.831 7.624 1.00 0.00 C ATOM 349 C ILE A 26 5.110 -7.105 6.782 1.00 0.00 C ATOM 350 O ILE A 26 4.451 -7.120 5.743 1.00 0.00 O ATOM 351 CB ILE A 26 4.464 -5.921 8.960 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.131 -6.654 8.801 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.285 -4.534 9.582 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.528 -6.998 10.164 1.00 0.00 C ATOM 0 H ILE A 26 3.785 -4.833 6.448 1.00 0.00 H new ATOM 0 HA ILE A 26 6.255 -5.692 7.877 1.00 0.00 H new ATOM 0 HB ILE A 26 5.073 -6.507 9.649 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.435 -6.032 8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.281 -7.567 8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.756 -4.626 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.263 -4.083 9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.709 -3.903 8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.581 -7.519 10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.216 -7.640 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.357 -6.081 10.728 1.00 0.00 H new ATOM 555 N GLY A 42 3.102 -12.441 3.360 1.00 0.00 N ATOM 556 CA GLY A 42 2.090 -11.424 3.129 1.00 0.00 C ATOM 557 C GLY A 42 2.607 -10.038 3.520 1.00 0.00 C ATOM 558 O GLY A 42 3.435 -9.911 4.420 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.801 -11.425 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.195 -11.658 3.706 1.00 0.00 H new ATOM 562 N ILE A 43 2.095 -9.033 2.823 1.00 0.00 N ATOM 563 CA ILE A 43 2.495 -7.661 3.086 1.00 0.00 C ATOM 564 C ILE A 43 1.313 -6.896 3.685 1.00 0.00 C ATOM 565 O ILE A 43 0.214 -6.912 3.133 1.00 0.00 O ATOM 566 CB ILE A 43 3.065 -7.018 1.820 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.174 -7.883 1.217 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.539 -5.590 2.097 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.140 -8.369 2.299 1.00 0.00 C ATOM 0 H ILE A 43 1.408 -9.142 2.077 1.00 0.00 H new ATOM 0 HA ILE A 43 3.299 -7.632 3.821 1.00 0.00 H new ATOM 0 HB ILE A 43 2.267 -6.955 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.735 -8.739 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.720 -7.310 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.940 -5.156 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.699 -4.989 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.316 -5.606 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.918 -8.981 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.596 -7.510 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.595 -8.962 3.034 1.00 0.00 H new ATOM 581 N PHE A 44 1.579 -6.245 4.808 1.00 0.00 N ATOM 582 CA PHE A 44 0.552 -5.476 5.489 1.00 0.00 C ATOM 583 C PHE A 44 1.129 -4.184 6.071 1.00 0.00 C ATOM 584 O PHE A 44 2.324 -4.104 6.349 1.00 0.00 O ATOM 585 CB PHE A 44 0.025 -6.346 6.632 1.00 0.00 C ATOM 586 CG PHE A 44 -0.784 -7.559 6.169 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.145 -8.703 5.805 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.141 -7.493 6.122 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.896 -9.829 5.375 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.892 -8.620 5.693 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.254 -9.764 5.328 1.00 0.00 C ATOM 0 H PHE A 44 2.492 -6.235 5.263 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.237 -5.206 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.868 -6.691 7.230 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.598 -5.734 7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.933 -8.755 5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.648 -6.584 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.389 -10.737 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.970 -8.568 5.657 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.825 -10.620 5.001 1.00 0.00 H new ATOM 601 N VAL A 45 0.253 -3.204 6.237 1.00 0.00 N ATOM 602 CA VAL A 45 0.660 -1.920 6.781 1.00 0.00 C ATOM 603 C VAL A 45 0.509 -1.944 8.303 1.00 0.00 C ATOM 604 O VAL A 45 -0.556 -2.280 8.819 1.00 0.00 O ATOM 605 CB VAL A 45 -0.137 -0.794 6.118 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.335 0.575 6.610 1.00 0.00 C ATOM 607 CG2 VAL A 45 -0.054 -0.888 4.593 1.00 0.00 C ATOM 0 H VAL A 45 -0.738 -3.274 6.004 1.00 0.00 H new ATOM 0 HA VAL A 45 1.711 -1.729 6.562 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.182 -0.910 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.248 1.357 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.200 0.640 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.390 0.705 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.629 -0.077 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.987 -0.810 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.461 -1.844 4.265 1.00 0.00 H new ATOM 617 N SER A 46 1.589 -1.583 8.979 1.00 0.00 N ATOM 618 CA SER A 46 1.590 -1.560 10.432 1.00 0.00 C ATOM 619 C SER A 46 1.966 -0.163 10.932 1.00 0.00 C ATOM 620 O SER A 46 2.092 0.055 12.136 1.00 0.00 O ATOM 621 CB SER A 46 2.553 -2.604 11.000 1.00 0.00 C ATOM 622 OG SER A 46 2.566 -2.600 12.425 1.00 0.00 O ATOM 0 H SER A 46 2.470 -1.304 8.548 1.00 0.00 H new ATOM 0 HA SER A 46 0.586 -1.806 10.779 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.267 -3.593 10.643 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.559 -2.410 10.628 1.00 0.00 H new ATOM 0 HG SER A 46 2.393 -1.692 12.751 1.00 0.00 H new ATOM 628 N LYS A 47 2.133 0.745 9.983 1.00 0.00 N ATOM 629 CA LYS A 47 2.492 2.114 10.312 1.00 0.00 C ATOM 630 C LYS A 47 2.123 3.029 9.142 1.00 0.00 C ATOM 631 O LYS A 47 2.157 2.609 7.987 1.00 0.00 O ATOM 632 CB LYS A 47 3.964 2.199 10.719 1.00 0.00 C ATOM 633 CG LYS A 47 4.165 3.220 11.841 1.00 0.00 C ATOM 634 CD LYS A 47 5.312 4.178 11.512 1.00 0.00 C ATOM 635 CE LYS A 47 5.306 5.384 12.453 1.00 0.00 C ATOM 636 NZ LYS A 47 6.622 5.532 13.115 1.00 0.00 N ATOM 0 H LYS A 47 2.026 0.560 8.986 1.00 0.00 H new ATOM 0 HA LYS A 47 1.926 2.459 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.311 1.219 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.568 2.478 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.246 3.786 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.377 2.701 12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.264 3.653 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.223 4.517 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.070 6.289 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.526 5.262 13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.600 6.355 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.832 4.675 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.359 5.670 12.395 1.00 0.00 H new ATOM 650 N ILE A 48 1.780 4.263 9.483 1.00 0.00 N ATOM 651 CA ILE A 48 1.405 5.240 8.475 1.00 0.00 C ATOM 652 C ILE A 48 1.723 6.645 8.991 1.00 0.00 C ATOM 653 O ILE A 48 1.158 7.085 9.991 1.00 0.00 O ATOM 654 CB ILE A 48 -0.056 5.052 8.063 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.225 3.802 7.196 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.597 6.306 7.372 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.641 3.720 6.622 1.00 0.00 C ATOM 0 H ILE A 48 1.754 4.608 10.442 1.00 0.00 H new ATOM 0 HA ILE A 48 1.989 5.093 7.566 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.648 4.901 8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.501 3.818 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.018 2.912 7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.637 6.146 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.533 7.154 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.006 6.513 6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.734 2.823 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.363 3.679 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.836 4.600 6.009 1.00 0.00 H new ATOM 669 N VAL A 49 2.626 7.310 8.285 1.00 0.00 N ATOM 670 CA VAL A 49 3.025 8.656 8.659 1.00 0.00 C ATOM 671 C VAL A 49 1.877 9.624 8.365 1.00 0.00 C ATOM 672 O VAL A 49 1.454 9.760 7.218 1.00 0.00 O ATOM 673 CB VAL A 49 4.324 9.034 7.945 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.863 10.371 8.459 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.371 7.928 8.090 1.00 0.00 C ATOM 0 H VAL A 49 3.092 6.942 7.456 1.00 0.00 H new ATOM 0 HA VAL A 49 3.230 8.711 9.728 1.00 0.00 H new ATOM 0 HB VAL A 49 4.102 9.148 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.787 10.616 7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.126 11.154 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.061 10.297 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.285 8.222 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.587 7.768 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.988 7.005 7.654 1.00 0.00 H new ATOM 685 N ASP A 50 1.407 10.273 9.420 1.00 0.00 N ATOM 686 CA ASP A 50 0.317 11.224 9.289 1.00 0.00 C ATOM 687 C ASP A 50 0.611 12.174 8.127 1.00 0.00 C ATOM 688 O ASP A 50 -0.008 12.077 7.068 1.00 0.00 O ATOM 689 CB ASP A 50 0.163 12.064 10.559 1.00 0.00 C ATOM 690 CG ASP A 50 -1.098 11.775 11.376 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.195 11.905 10.792 1.00 0.00 O ATOM 692 OD2 ASP A 50 -0.935 11.431 12.567 1.00 0.00 O ATOM 0 H ASP A 50 1.761 10.159 10.370 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.601 10.662 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.034 11.900 11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.165 13.118 10.282 1.00 0.00 H new ATOM 697 N SER A 51 1.558 13.071 8.363 1.00 0.00 N ATOM 698 CA SER A 51 1.942 14.038 7.349 1.00 0.00 C ATOM 699 C SER A 51 2.332 13.315 6.058 1.00 0.00 C ATOM 700 O SER A 51 2.302 13.905 4.979 1.00 0.00 O ATOM 701 CB SER A 51 3.097 14.916 7.834 1.00 0.00 C ATOM 702 OG SER A 51 2.934 16.277 7.443 1.00 0.00 O ATOM 0 H SER A 51 2.070 13.148 9.242 1.00 0.00 H new ATOM 0 HA SER A 51 1.087 14.685 7.153 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.166 14.857 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.036 14.534 7.434 1.00 0.00 H new ATOM 0 HG SER A 51 3.691 16.805 7.773 1.00 0.00 H new ATOM 708 N GLY A 52 2.688 12.048 6.211 1.00 0.00 N ATOM 709 CA GLY A 52 3.083 11.239 5.071 1.00 0.00 C ATOM 710 C GLY A 52 2.119 11.435 3.899 1.00 0.00 C ATOM 711 O GLY A 52 0.926 11.654 4.102 1.00 0.00 O ATOM 0 H GLY A 52 2.711 11.562 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.094 11.507 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.105 10.187 5.357 1.00 0.00 H new ATOM 715 N PRO A 53 2.687 11.346 2.667 1.00 0.00 N ATOM 716 CA PRO A 53 1.891 11.511 1.462 1.00 0.00 C ATOM 717 C PRO A 53 1.037 10.270 1.195 1.00 0.00 C ATOM 718 O PRO A 53 0.249 10.246 0.251 1.00 0.00 O ATOM 719 CB PRO A 53 2.900 11.786 0.359 1.00 0.00 C ATOM 720 CG PRO A 53 4.241 11.306 0.891 1.00 0.00 C ATOM 721 CD PRO A 53 4.097 11.087 2.388 1.00 0.00 C ATOM 0 HA PRO A 53 1.174 12.328 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.632 11.258 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.934 12.848 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.539 10.381 0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.019 12.042 0.686 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.376 10.071 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.742 11.761 2.951 1.00 0.00 H new ATOM 729 N ALA A 54 1.222 9.270 2.044 1.00 0.00 N ATOM 730 CA ALA A 54 0.478 8.029 1.912 1.00 0.00 C ATOM 731 C ALA A 54 -0.797 8.111 2.755 1.00 0.00 C ATOM 732 O ALA A 54 -1.743 7.358 2.531 1.00 0.00 O ATOM 733 CB ALA A 54 1.369 6.853 2.317 1.00 0.00 C ATOM 0 H ALA A 54 1.876 9.294 2.826 1.00 0.00 H new ATOM 0 HA ALA A 54 0.179 7.870 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.810 5.922 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.246 6.821 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.687 6.977 3.352 1.00 0.00 H new ATOM 739 N ALA A 55 -0.781 9.033 3.706 1.00 0.00 N ATOM 740 CA ALA A 55 -1.924 9.224 4.583 1.00 0.00 C ATOM 741 C ALA A 55 -2.810 10.338 4.022 1.00 0.00 C ATOM 742 O ALA A 55 -3.979 10.110 3.713 1.00 0.00 O ATOM 743 CB ALA A 55 -1.435 9.526 6.001 1.00 0.00 C ATOM 0 H ALA A 55 0.006 9.656 3.889 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.526 8.317 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.292 9.669 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.834 8.692 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.829 10.432 5.992 1.00 0.00 H new ATOM 749 N LYS A 56 -2.221 11.519 3.909 1.00 0.00 N ATOM 750 CA LYS A 56 -2.943 12.669 3.392 1.00 0.00 C ATOM 751 C LYS A 56 -3.823 12.229 2.220 1.00 0.00 C ATOM 752 O LYS A 56 -5.015 11.978 2.394 1.00 0.00 O ATOM 753 CB LYS A 56 -1.972 13.798 3.041 1.00 0.00 C ATOM 754 CG LYS A 56 -0.700 13.246 2.394 1.00 0.00 C ATOM 755 CD LYS A 56 -0.458 13.887 1.026 1.00 0.00 C ATOM 756 CE LYS A 56 0.752 14.822 1.065 1.00 0.00 C ATOM 757 NZ LYS A 56 0.407 16.088 1.750 1.00 0.00 N ATOM 0 H LYS A 56 -1.252 11.705 4.167 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.607 13.076 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.455 14.500 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.714 14.354 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.154 13.435 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.784 12.165 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.297 13.109 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.343 14.445 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.579 14.335 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.090 15.031 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.239 16.711 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.367 16.559 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.106 15.885 2.725 1.00 0.00 H new ATOM 771 N GLU A 57 -3.202 12.148 1.053 1.00 0.00 N ATOM 772 CA GLU A 57 -3.914 11.742 -0.147 1.00 0.00 C ATOM 773 C GLU A 57 -3.826 10.226 -0.329 1.00 0.00 C ATOM 774 O GLU A 57 -4.821 9.576 -0.648 1.00 0.00 O ATOM 775 CB GLU A 57 -3.375 12.474 -1.378 1.00 0.00 C ATOM 776 CG GLU A 57 -4.148 13.771 -1.627 1.00 0.00 C ATOM 777 CD GLU A 57 -3.317 14.755 -2.452 1.00 0.00 C ATOM 778 OE1 GLU A 57 -3.181 14.502 -3.669 1.00 0.00 O ATOM 779 OE2 GLU A 57 -2.837 15.738 -1.848 1.00 0.00 O ATOM 0 H GLU A 57 -2.213 12.357 0.912 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.963 12.014 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.317 12.698 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.451 11.828 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.079 13.549 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.417 14.227 -0.674 1.00 0.00 H new ATOM 786 N GLY A 58 -2.626 9.705 -0.118 1.00 0.00 N ATOM 787 CA GLY A 58 -2.395 8.277 -0.255 1.00 0.00 C ATOM 788 C GLY A 58 -3.706 7.496 -0.142 1.00 0.00 C ATOM 789 O GLY A 58 -4.056 6.731 -1.039 1.00 0.00 O ATOM 0 H GLY A 58 -1.803 10.247 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.927 8.071 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.700 7.942 0.515 1.00 0.00 H new ATOM 793 N GLY A 59 -4.395 7.717 0.968 1.00 0.00 N ATOM 794 CA GLY A 59 -5.660 7.044 1.210 1.00 0.00 C ATOM 795 C GLY A 59 -5.442 5.708 1.924 1.00 0.00 C ATOM 796 O GLY A 59 -6.391 4.957 2.147 1.00 0.00 O ATOM 0 H GLY A 59 -4.101 8.353 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.306 7.682 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.173 6.875 0.263 1.00 0.00 H new ATOM 800 N LEU A 60 -4.187 5.452 2.263 1.00 0.00 N ATOM 801 CA LEU A 60 -3.833 4.220 2.947 1.00 0.00 C ATOM 802 C LEU A 60 -4.392 4.253 4.370 1.00 0.00 C ATOM 803 O LEU A 60 -4.877 5.288 4.827 1.00 0.00 O ATOM 804 CB LEU A 60 -2.322 3.988 2.885 1.00 0.00 C ATOM 805 CG LEU A 60 -1.862 2.533 2.990 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.634 1.642 2.014 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.349 2.421 2.794 1.00 0.00 C ATOM 0 H LEU A 60 -3.403 6.077 2.077 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.285 3.363 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.950 4.399 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.854 4.555 3.690 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.084 2.176 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.288 0.613 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.699 1.689 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.466 1.989 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.048 1.376 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.081 2.802 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.161 3.005 3.560 1.00 0.00 H new ATOM 819 N GLN A 61 -4.307 3.109 5.033 1.00 0.00 N ATOM 820 CA GLN A 61 -4.798 2.994 6.395 1.00 0.00 C ATOM 821 C GLN A 61 -4.206 1.755 7.070 1.00 0.00 C ATOM 822 O GLN A 61 -4.308 0.648 6.543 1.00 0.00 O ATOM 823 CB GLN A 61 -6.328 2.957 6.425 1.00 0.00 C ATOM 824 CG GLN A 61 -6.901 4.313 6.843 1.00 0.00 C ATOM 825 CD GLN A 61 -7.964 4.788 5.850 1.00 0.00 C ATOM 826 OE1 GLN A 61 -7.941 5.907 5.364 1.00 0.00 O ATOM 827 NE2 GLN A 61 -8.894 3.877 5.577 1.00 0.00 N ATOM 0 H GLN A 61 -3.905 2.253 4.651 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.478 3.875 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.708 2.685 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.663 2.187 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.337 4.236 7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.099 5.048 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.854 2.959 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.647 4.097 4.925 1.00 0.00 H new ATOM 836 N ILE A 62 -3.601 1.983 8.227 1.00 0.00 N ATOM 837 CA ILE A 62 -2.993 0.899 8.979 1.00 0.00 C ATOM 838 C ILE A 62 -3.880 -0.344 8.883 1.00 0.00 C ATOM 839 O ILE A 62 -5.098 -0.233 8.748 1.00 0.00 O ATOM 840 CB ILE A 62 -2.706 1.340 10.416 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.920 2.652 10.441 1.00 0.00 C ATOM 842 CG2 ILE A 62 -1.997 0.232 11.198 1.00 0.00 C ATOM 843 CD1 ILE A 62 -0.860 2.636 11.544 1.00 0.00 C ATOM 0 H ILE A 62 -3.519 2.902 8.661 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.026 0.634 8.551 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.658 1.526 10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.442 2.812 9.475 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.603 3.486 10.600 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.805 0.571 12.216 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.629 -0.656 11.225 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.052 -0.009 10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.316 3.580 11.539 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.344 2.500 12.511 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.164 1.816 11.368 1.00 0.00 H new ATOM 855 N HIS A 63 -3.235 -1.499 8.955 1.00 0.00 N ATOM 856 CA HIS A 63 -3.951 -2.761 8.877 1.00 0.00 C ATOM 857 C HIS A 63 -4.508 -2.949 7.465 1.00 0.00 C ATOM 858 O HIS A 63 -5.668 -3.321 7.296 1.00 0.00 O ATOM 859 CB HIS A 63 -5.032 -2.840 9.956 1.00 0.00 C ATOM 860 CG HIS A 63 -4.581 -2.357 11.314 1.00 0.00 C ATOM 861 ND1 HIS A 63 -5.352 -1.525 12.107 1.00 0.00 N ATOM 862 CD2 HIS A 63 -3.433 -2.598 12.010 1.00 0.00 C ATOM 863 CE1 HIS A 63 -4.687 -1.281 13.228 1.00 0.00 C ATOM 864 NE2 HIS A 63 -3.498 -1.947 13.165 1.00 0.00 N ATOM 0 H HIS A 63 -2.225 -1.587 9.066 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.264 -3.585 9.072 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.891 -2.249 9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.370 -3.873 10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.611 -3.214 11.678 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.027 -0.664 14.047 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.777 -1.945 13.887 1.00 0.00 H new ATOM 872 N ASP A 64 -3.655 -2.683 6.486 1.00 0.00 N ATOM 873 CA ASP A 64 -4.047 -2.819 5.094 1.00 0.00 C ATOM 874 C ASP A 64 -3.187 -3.895 4.428 1.00 0.00 C ATOM 875 O ASP A 64 -1.995 -4.005 4.712 1.00 0.00 O ATOM 876 CB ASP A 64 -3.838 -1.508 4.333 1.00 0.00 C ATOM 877 CG ASP A 64 -3.054 -1.638 3.025 1.00 0.00 C ATOM 878 OD1 ASP A 64 -3.349 -2.596 2.279 1.00 0.00 O ATOM 879 OD2 ASP A 64 -2.177 -0.775 2.802 1.00 0.00 O ATOM 0 H ASP A 64 -2.694 -2.374 6.630 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.103 -3.088 5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.813 -1.074 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.316 -0.807 4.984 1.00 0.00 H new ATOM 884 N ARG A 65 -3.825 -4.661 3.555 1.00 0.00 N ATOM 885 CA ARG A 65 -3.133 -5.724 2.847 1.00 0.00 C ATOM 886 C ARG A 65 -2.925 -5.338 1.381 1.00 0.00 C ATOM 887 O ARG A 65 -3.766 -5.630 0.533 1.00 0.00 O ATOM 888 CB ARG A 65 -3.920 -7.034 2.915 1.00 0.00 C ATOM 889 CG ARG A 65 -3.017 -8.233 2.615 1.00 0.00 C ATOM 890 CD ARG A 65 -3.841 -9.509 2.437 1.00 0.00 C ATOM 891 NE ARG A 65 -3.251 -10.348 1.370 1.00 0.00 N ATOM 892 CZ ARG A 65 -3.916 -11.311 0.717 1.00 0.00 C ATOM 893 NH1 ARG A 65 -5.197 -11.563 1.018 1.00 0.00 N ATOM 894 NH2 ARG A 65 -3.299 -12.022 -0.237 1.00 0.00 N ATOM 0 H ARG A 65 -4.814 -4.566 3.322 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.166 -5.868 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.362 -7.146 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.742 -7.006 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.439 -8.040 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.303 -8.367 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.871 -10.066 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.870 -9.255 2.184 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.277 -10.183 1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.666 -11.022 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.703 -12.296 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.324 -11.830 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.805 -12.755 -0.734 1.00 0.00 H new ATOM 908 N ILE A 66 -1.799 -4.686 1.128 1.00 0.00 N ATOM 909 CA ILE A 66 -1.470 -4.256 -0.220 1.00 0.00 C ATOM 910 C ILE A 66 -1.629 -5.437 -1.180 1.00 0.00 C ATOM 911 O ILE A 66 -1.199 -6.549 -0.878 1.00 0.00 O ATOM 912 CB ILE A 66 -0.080 -3.618 -0.255 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.127 -2.690 0.944 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.161 -2.900 -1.584 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.180 -1.624 0.636 1.00 0.00 C ATOM 0 H ILE A 66 -1.103 -4.445 1.834 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.160 -3.480 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 66 0.663 -4.412 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.816 -2.210 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.438 -3.273 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.156 -2.456 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.084 -3.615 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.586 -2.117 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.308 -0.978 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.128 -2.107 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.855 -1.027 -0.216 1.00 0.00 H new ATOM 927 N ILE A 67 -2.247 -5.155 -2.317 1.00 0.00 N ATOM 928 CA ILE A 67 -2.468 -6.180 -3.323 1.00 0.00 C ATOM 929 C ILE A 67 -1.542 -5.927 -4.514 1.00 0.00 C ATOM 930 O ILE A 67 -0.952 -6.861 -5.056 1.00 0.00 O ATOM 931 CB ILE A 67 -3.949 -6.251 -3.700 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.836 -5.895 -2.505 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.300 -7.620 -4.287 1.00 0.00 C ATOM 934 CD1 ILE A 67 -5.080 -7.119 -1.619 1.00 0.00 C ATOM 0 H ILE A 67 -2.602 -4.231 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.217 -7.164 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.141 -5.509 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.364 -5.106 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.789 -5.502 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.358 -7.644 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.703 -7.796 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.089 -8.396 -3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.713 -6.838 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.574 -7.897 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.127 -7.495 -1.247 1.00 0.00 H new ATOM 946 N GLU A 68 -1.443 -4.660 -4.887 1.00 0.00 N ATOM 947 CA GLU A 68 -0.598 -4.272 -6.004 1.00 0.00 C ATOM 948 C GLU A 68 -0.040 -2.865 -5.785 1.00 0.00 C ATOM 949 O GLU A 68 -0.655 -2.049 -5.099 1.00 0.00 O ATOM 950 CB GLU A 68 -1.364 -4.358 -7.326 1.00 0.00 C ATOM 951 CG GLU A 68 -0.681 -5.327 -8.294 1.00 0.00 C ATOM 952 CD GLU A 68 -1.449 -6.647 -8.382 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.431 -7.383 -7.372 1.00 0.00 O ATOM 954 OE2 GLU A 68 -2.038 -6.890 -9.458 1.00 0.00 O ATOM 0 H GLU A 68 -1.934 -3.888 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 68 0.239 -4.968 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.386 -4.687 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.426 -3.369 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.616 -4.873 -9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.340 -5.518 -7.963 1.00 0.00 H new ATOM 961 N VAL A 69 1.119 -2.623 -6.379 1.00 0.00 N ATOM 962 CA VAL A 69 1.767 -1.328 -6.257 1.00 0.00 C ATOM 963 C VAL A 69 2.374 -0.937 -7.606 1.00 0.00 C ATOM 964 O VAL A 69 3.281 -1.606 -8.099 1.00 0.00 O ATOM 965 CB VAL A 69 2.797 -1.363 -5.126 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.197 -1.655 -5.668 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.779 -0.058 -4.328 1.00 0.00 C ATOM 0 H VAL A 69 1.626 -3.302 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 69 1.040 -0.560 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 69 2.524 -2.173 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.910 -1.674 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.198 -2.622 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.483 -0.877 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.520 -0.109 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.014 0.776 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.790 0.090 -3.895 1.00 0.00 H new ATOM 977 N ASN A 70 1.849 0.144 -8.164 1.00 0.00 N ATOM 978 CA ASN A 70 2.328 0.632 -9.446 1.00 0.00 C ATOM 979 C ASN A 70 2.170 -0.469 -10.497 1.00 0.00 C ATOM 980 O ASN A 70 2.791 -0.413 -11.558 1.00 0.00 O ATOM 981 CB ASN A 70 3.809 1.008 -9.374 1.00 0.00 C ATOM 982 CG ASN A 70 4.127 2.170 -10.317 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.183 2.024 -11.527 1.00 0.00 O ATOM 984 ND2 ASN A 70 4.330 3.329 -9.697 1.00 0.00 N ATOM 0 H ASN A 70 1.097 0.696 -7.752 1.00 0.00 H new ATOM 0 HA ASN A 70 1.745 1.514 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.069 1.283 -8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.420 0.144 -9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.548 4.166 -10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.268 3.381 -8.680 1.00 0.00 H new ATOM 991 N GLY A 71 1.337 -1.444 -10.166 1.00 0.00 N ATOM 992 CA GLY A 71 1.090 -2.556 -11.068 1.00 0.00 C ATOM 993 C GLY A 71 1.886 -3.793 -10.645 1.00 0.00 C ATOM 994 O GLY A 71 1.783 -4.846 -11.272 1.00 0.00 O ATOM 0 H GLY A 71 0.824 -1.487 -9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.026 -2.790 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.364 -2.273 -12.084 1.00 0.00 H new ATOM 998 N ARG A 72 2.661 -3.623 -9.584 1.00 0.00 N ATOM 999 CA ARG A 72 3.475 -4.712 -9.070 1.00 0.00 C ATOM 1000 C ARG A 72 2.731 -5.449 -7.955 1.00 0.00 C ATOM 1001 O ARG A 72 2.229 -4.826 -7.021 1.00 0.00 O ATOM 1002 CB ARG A 72 4.809 -4.195 -8.529 1.00 0.00 C ATOM 1003 CG ARG A 72 5.986 -4.878 -9.229 1.00 0.00 C ATOM 1004 CD ARG A 72 7.175 -5.031 -8.278 1.00 0.00 C ATOM 1005 NE ARG A 72 8.319 -5.641 -8.992 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.461 -6.016 -8.400 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.619 -5.844 -7.081 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.445 -6.561 -9.128 1.00 0.00 N ATOM 0 H ARG A 72 2.743 -2.748 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 72 3.672 -5.397 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.871 -3.116 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.865 -4.376 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.678 -5.858 -9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.285 -4.294 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.461 -4.057 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.894 -5.652 -7.428 1.00 0.00 H new ATOM 0 HE ARG A 72 8.233 -5.785 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.870 -5.428 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.488 -6.129 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.325 -6.690 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.314 -6.847 -8.678 1.00 0.00 H new ATOM 1022 N ASP A 73 2.683 -6.767 -8.089 1.00 0.00 N ATOM 1023 CA ASP A 73 2.009 -7.595 -7.104 1.00 0.00 C ATOM 1024 C ASP A 73 2.941 -7.823 -5.912 1.00 0.00 C ATOM 1025 O ASP A 73 4.092 -8.218 -6.086 1.00 0.00 O ATOM 1026 CB ASP A 73 1.648 -8.962 -7.689 1.00 0.00 C ATOM 1027 CG ASP A 73 0.567 -9.728 -6.924 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.737 -9.874 -5.694 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -0.406 -10.150 -7.586 1.00 0.00 O ATOM 0 H ASP A 73 3.100 -7.281 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 73 1.098 -7.081 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.315 -8.824 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.549 -9.574 -7.725 1.00 0.00 H new ATOM 1034 N LEU A 74 2.407 -7.563 -4.727 1.00 0.00 N ATOM 1035 CA LEU A 74 3.176 -7.734 -3.507 1.00 0.00 C ATOM 1036 C LEU A 74 2.348 -8.527 -2.494 1.00 0.00 C ATOM 1037 O LEU A 74 2.705 -8.605 -1.320 1.00 0.00 O ATOM 1038 CB LEU A 74 3.657 -6.379 -2.982 1.00 0.00 C ATOM 1039 CG LEU A 74 4.193 -5.405 -4.032 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.471 -4.032 -3.416 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.426 -5.979 -4.733 1.00 0.00 C ATOM 0 H LEU A 74 1.451 -7.235 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 74 4.079 -8.312 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.829 -5.900 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.440 -6.555 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 74 3.425 -5.266 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.851 -3.359 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.548 -3.626 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.212 -4.132 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.787 -5.267 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.209 -6.166 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.162 -6.914 -5.227 1.00 0.00 H new ATOM 1053 N SER A 75 1.257 -9.095 -2.986 1.00 0.00 N ATOM 1054 CA SER A 75 0.375 -9.880 -2.139 1.00 0.00 C ATOM 1055 C SER A 75 1.149 -11.039 -1.508 1.00 0.00 C ATOM 1056 O SER A 75 0.986 -11.327 -0.323 1.00 0.00 O ATOM 1057 CB SER A 75 -0.822 -10.410 -2.931 1.00 0.00 C ATOM 1058 OG SER A 75 -0.418 -11.231 -4.023 1.00 0.00 O ATOM 0 H SER A 75 0.964 -9.027 -3.961 1.00 0.00 H new ATOM 0 HA SER A 75 -0.005 -9.232 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.471 -10.982 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.409 -9.571 -3.306 1.00 0.00 H new ATOM 0 HG SER A 75 0.388 -10.855 -4.434 1.00 0.00 H new ATOM 1064 N ARG A 76 1.975 -11.672 -2.328 1.00 0.00 N ATOM 1065 CA ARG A 76 2.775 -12.793 -1.865 1.00 0.00 C ATOM 1066 C ARG A 76 4.258 -12.419 -1.856 1.00 0.00 C ATOM 1067 O ARG A 76 5.123 -13.293 -1.886 1.00 0.00 O ATOM 1068 CB ARG A 76 2.571 -14.021 -2.755 1.00 0.00 C ATOM 1069 CG ARG A 76 2.888 -13.697 -4.216 1.00 0.00 C ATOM 1070 CD ARG A 76 3.095 -14.976 -5.029 1.00 0.00 C ATOM 1071 NE ARG A 76 3.096 -14.663 -6.476 1.00 0.00 N ATOM 1072 CZ ARG A 76 1.988 -14.548 -7.220 1.00 0.00 C ATOM 1073 NH1 ARG A 76 0.783 -14.721 -6.660 1.00 0.00 N ATOM 1074 NH2 ARG A 76 2.084 -14.261 -8.526 1.00 0.00 N ATOM 0 H ARG A 76 2.108 -11.430 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 76 2.452 -13.035 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.211 -14.834 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.541 -14.369 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.074 -13.115 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.784 -13.079 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.038 -15.445 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.304 -15.691 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 76 3.997 -14.526 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.709 -14.940 -5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.060 -14.633 -7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.001 -14.130 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.240 -14.174 -9.092 1.00 0.00 H new ATOM 1088 N ALA A 77 4.508 -11.118 -1.816 1.00 0.00 N ATOM 1089 CA ALA A 77 5.871 -10.618 -1.803 1.00 0.00 C ATOM 1090 C ALA A 77 6.321 -10.411 -0.355 1.00 0.00 C ATOM 1091 O ALA A 77 5.516 -10.516 0.570 1.00 0.00 O ATOM 1092 CB ALA A 77 5.951 -9.331 -2.627 1.00 0.00 C ATOM 0 H ALA A 77 3.789 -10.395 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 77 6.548 -11.340 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.974 -8.956 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.650 -9.537 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.286 -8.582 -2.197 1.00 0.00 H new ATOM 1098 N THR A 78 7.605 -10.121 -0.203 1.00 0.00 N ATOM 1099 CA THR A 78 8.170 -9.898 1.117 1.00 0.00 C ATOM 1100 C THR A 78 8.468 -8.412 1.326 1.00 0.00 C ATOM 1101 O THR A 78 8.463 -7.634 0.373 1.00 0.00 O ATOM 1102 CB THR A 78 9.405 -10.791 1.258 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.872 -10.531 2.579 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.559 -10.341 0.360 1.00 0.00 C ATOM 0 H THR A 78 8.270 -10.035 -0.972 1.00 0.00 H new ATOM 0 HA THR A 78 7.463 -10.168 1.901 1.00 0.00 H new ATOM 0 HB THR A 78 9.138 -11.820 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.671 -11.071 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.410 -11.008 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.242 -10.370 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.849 -9.324 0.623 1.00 0.00 H new ATOM 1112 N HIS A 79 8.720 -8.063 2.579 1.00 0.00 N ATOM 1113 CA HIS A 79 9.019 -6.684 2.926 1.00 0.00 C ATOM 1114 C HIS A 79 10.130 -6.156 2.017 1.00 0.00 C ATOM 1115 O HIS A 79 10.097 -5.000 1.596 1.00 0.00 O ATOM 1116 CB HIS A 79 9.358 -6.559 4.412 1.00 0.00 C ATOM 1117 CG HIS A 79 9.289 -5.146 4.941 1.00 0.00 C ATOM 1118 ND1 HIS A 79 10.413 -4.425 5.303 1.00 0.00 N ATOM 1119 CD2 HIS A 79 8.219 -4.330 5.165 1.00 0.00 C ATOM 1120 CE1 HIS A 79 10.026 -3.230 5.725 1.00 0.00 C ATOM 1121 NE2 HIS A 79 8.666 -3.173 5.639 1.00 0.00 N ATOM 0 H HIS A 79 8.723 -8.711 3.366 1.00 0.00 H new ATOM 0 HA HIS A 79 8.138 -6.064 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.673 -7.184 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.362 -6.950 4.579 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.376 -4.757 5.253 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.184 -4.582 4.987 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.674 -2.440 6.075 1.00 0.00 H new ATOM 1129 N ASP A 80 11.089 -7.027 1.740 1.00 0.00 N ATOM 1130 CA ASP A 80 12.209 -6.663 0.889 1.00 0.00 C ATOM 1131 C ASP A 80 11.688 -6.292 -0.501 1.00 0.00 C ATOM 1132 O ASP A 80 12.015 -5.230 -1.027 1.00 0.00 O ATOM 1133 CB ASP A 80 13.184 -7.832 0.732 1.00 0.00 C ATOM 1134 CG ASP A 80 14.621 -7.538 1.167 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.842 -7.483 2.396 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.466 -7.374 0.261 1.00 0.00 O ATOM 0 H ASP A 80 11.113 -7.985 2.090 1.00 0.00 H new ATOM 0 HA ASP A 80 12.725 -5.822 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.811 -8.677 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.193 -8.140 -0.313 1.00 0.00 H new ATOM 1141 N GLN A 81 10.885 -7.188 -1.056 1.00 0.00 N ATOM 1142 CA GLN A 81 10.316 -6.968 -2.374 1.00 0.00 C ATOM 1143 C GLN A 81 9.361 -5.774 -2.347 1.00 0.00 C ATOM 1144 O GLN A 81 9.431 -4.898 -3.208 1.00 0.00 O ATOM 1145 CB GLN A 81 9.607 -8.226 -2.882 1.00 0.00 C ATOM 1146 CG GLN A 81 10.619 -9.284 -3.327 1.00 0.00 C ATOM 1147 CD GLN A 81 10.034 -10.175 -4.424 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.079 -9.863 -5.603 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.483 -11.298 -3.973 1.00 0.00 N ATOM 0 H GLN A 81 10.615 -8.068 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 81 11.128 -6.744 -3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.972 -8.633 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.954 -7.968 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.523 -8.797 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.910 -9.896 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.479 -11.498 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.064 -11.959 -4.627 1.00 0.00 H new ATOM 1158 N ALA A 82 8.489 -5.776 -1.349 1.00 0.00 N ATOM 1159 CA ALA A 82 7.521 -4.703 -1.198 1.00 0.00 C ATOM 1160 C ALA A 82 8.257 -3.362 -1.139 1.00 0.00 C ATOM 1161 O ALA A 82 7.992 -2.469 -1.941 1.00 0.00 O ATOM 1162 CB ALA A 82 6.668 -4.955 0.046 1.00 0.00 C ATOM 0 H ALA A 82 8.433 -6.504 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 82 6.847 -4.672 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.942 -4.150 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.143 -5.905 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.310 -4.991 0.926 1.00 0.00 H new ATOM 1168 N VAL A 83 9.167 -3.265 -0.181 1.00 0.00 N ATOM 1169 CA VAL A 83 9.943 -2.049 -0.006 1.00 0.00 C ATOM 1170 C VAL A 83 10.574 -1.656 -1.343 1.00 0.00 C ATOM 1171 O VAL A 83 10.441 -0.516 -1.785 1.00 0.00 O ATOM 1172 CB VAL A 83 10.973 -2.241 1.108 1.00 0.00 C ATOM 1173 CG1 VAL A 83 11.993 -1.101 1.114 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.289 -2.372 2.471 1.00 0.00 C ATOM 0 H VAL A 83 9.384 -4.009 0.482 1.00 0.00 H new ATOM 0 HA VAL A 83 9.299 -1.226 0.304 1.00 0.00 H new ATOM 0 HB VAL A 83 11.509 -3.169 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.714 -1.262 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.514 -1.074 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.479 -0.153 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.044 -2.508 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.715 -1.469 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.620 -3.233 2.461 1.00 0.00 H new ATOM 1184 N GLU A 84 11.248 -2.622 -1.950 1.00 0.00 N ATOM 1185 CA GLU A 84 11.901 -2.391 -3.227 1.00 0.00 C ATOM 1186 C GLU A 84 10.895 -1.854 -4.247 1.00 0.00 C ATOM 1187 O GLU A 84 11.184 -0.898 -4.965 1.00 0.00 O ATOM 1188 CB GLU A 84 12.572 -3.667 -3.738 1.00 0.00 C ATOM 1189 CG GLU A 84 13.363 -3.395 -5.020 1.00 0.00 C ATOM 1190 CD GLU A 84 14.628 -4.254 -5.076 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.477 -5.492 -5.001 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.717 -3.652 -5.193 1.00 0.00 O ATOM 0 H GLU A 84 11.356 -3.567 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 84 12.680 -1.642 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.239 -4.063 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.816 -4.429 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.738 -3.604 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.633 -2.340 -5.068 1.00 0.00 H new ATOM 1199 N ALA A 85 9.734 -2.492 -4.279 1.00 0.00 N ATOM 1200 CA ALA A 85 8.684 -2.090 -5.199 1.00 0.00 C ATOM 1201 C ALA A 85 8.400 -0.597 -5.021 1.00 0.00 C ATOM 1202 O ALA A 85 8.430 0.164 -5.987 1.00 0.00 O ATOM 1203 CB ALA A 85 7.442 -2.952 -4.965 1.00 0.00 C ATOM 0 H ALA A 85 9.498 -3.285 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 85 8.998 -2.245 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.654 -2.650 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.690 -4.000 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.096 -2.821 -3.940 1.00 0.00 H new ATOM 1209 N PHE A 86 8.129 -0.223 -3.779 1.00 0.00 N ATOM 1210 CA PHE A 86 7.840 1.165 -3.462 1.00 0.00 C ATOM 1211 C PHE A 86 9.059 2.052 -3.719 1.00 0.00 C ATOM 1212 O PHE A 86 8.919 3.249 -3.969 1.00 0.00 O ATOM 1213 CB PHE A 86 7.488 1.220 -1.974 1.00 0.00 C ATOM 1214 CG PHE A 86 6.045 0.822 -1.660 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.032 1.699 -1.891 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.775 -0.409 -1.150 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.692 1.330 -1.600 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.435 -0.779 -0.858 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.422 0.099 -1.090 1.00 0.00 C ATOM 0 H PHE A 86 8.104 -0.857 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 86 7.024 1.527 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.163 0.561 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.663 2.231 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.247 2.677 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.580 -1.106 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.888 2.027 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.221 -1.757 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.403 -0.182 -0.869 1.00 0.00 H new ATOM 1229 N LYS A 87 10.228 1.432 -3.649 1.00 0.00 N ATOM 1230 CA LYS A 87 11.471 2.151 -3.872 1.00 0.00 C ATOM 1231 C LYS A 87 11.673 2.359 -5.374 1.00 0.00 C ATOM 1232 O LYS A 87 12.049 3.447 -5.808 1.00 0.00 O ATOM 1233 CB LYS A 87 12.635 1.430 -3.189 1.00 0.00 C ATOM 1234 CG LYS A 87 13.979 1.948 -3.707 1.00 0.00 C ATOM 1235 CD LYS A 87 15.143 1.281 -2.971 1.00 0.00 C ATOM 1236 CE LYS A 87 15.434 1.990 -1.647 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.147 3.264 -1.888 1.00 0.00 N ATOM 0 H LYS A 87 10.341 0.440 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 87 11.426 3.140 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.576 1.576 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.560 0.358 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.060 1.753 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.032 3.029 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.906 0.234 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.033 1.298 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.501 2.183 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.036 1.345 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.530 3.623 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.927 3.104 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.486 3.962 -2.286 1.00 0.00 H new ATOM 1251 N THR A 88 11.414 1.300 -6.126 1.00 0.00 N ATOM 1252 CA THR A 88 11.562 1.354 -7.571 1.00 0.00 C ATOM 1253 C THR A 88 10.276 1.866 -8.220 1.00 0.00 C ATOM 1254 O THR A 88 10.229 2.077 -9.431 1.00 0.00 O ATOM 1255 CB THR A 88 11.976 -0.037 -8.055 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.967 -0.900 -7.538 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.263 -0.530 -7.391 1.00 0.00 C ATOM 0 H THR A 88 11.103 0.399 -5.762 1.00 0.00 H new ATOM 0 HA THR A 88 12.339 2.060 -7.864 1.00 0.00 H new ATOM 0 HB THR A 88 12.110 -0.019 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.230 -1.214 -6.648 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.511 -1.521 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.076 0.159 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.120 -0.580 -6.312 1.00 0.00 H new ATOM 1265 N ALA A 89 9.262 2.049 -7.387 1.00 0.00 N ATOM 1266 CA ALA A 89 7.978 2.532 -7.865 1.00 0.00 C ATOM 1267 C ALA A 89 8.102 4.010 -8.243 1.00 0.00 C ATOM 1268 O ALA A 89 8.877 4.747 -7.635 1.00 0.00 O ATOM 1269 CB ALA A 89 6.911 2.292 -6.795 1.00 0.00 C ATOM 0 H ALA A 89 9.304 1.871 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 89 7.672 1.987 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.948 2.655 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.841 1.225 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.183 2.825 -5.884 1.00 0.00 H new ATOM 1275 N LYS A 90 7.327 4.398 -9.245 1.00 0.00 N ATOM 1276 CA LYS A 90 7.341 5.775 -9.711 1.00 0.00 C ATOM 1277 C LYS A 90 5.977 6.414 -9.441 1.00 0.00 C ATOM 1278 O LYS A 90 4.962 5.721 -9.390 1.00 0.00 O ATOM 1279 CB LYS A 90 7.770 5.839 -11.178 1.00 0.00 C ATOM 1280 CG LYS A 90 9.267 6.129 -11.299 1.00 0.00 C ATOM 1281 CD LYS A 90 9.597 7.531 -10.782 1.00 0.00 C ATOM 1282 CE LYS A 90 9.954 8.471 -11.936 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.416 8.479 -12.165 1.00 0.00 N ATOM 0 H LYS A 90 6.686 3.784 -9.747 1.00 0.00 H new ATOM 0 HA LYS A 90 8.081 6.356 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.538 4.894 -11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.203 6.614 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.832 5.387 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.575 6.040 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.744 7.930 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.430 7.477 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.440 8.154 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.610 9.480 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.641 9.122 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.901 8.803 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.736 7.518 -12.401 1.00 0.00 H new ATOM 1297 N GLU A 91 5.998 7.728 -9.275 1.00 0.00 N ATOM 1298 CA GLU A 91 4.775 8.468 -9.011 1.00 0.00 C ATOM 1299 C GLU A 91 4.132 8.915 -10.325 1.00 0.00 C ATOM 1300 O GLU A 91 4.830 9.276 -11.272 1.00 0.00 O ATOM 1301 CB GLU A 91 5.046 9.665 -8.098 1.00 0.00 C ATOM 1302 CG GLU A 91 5.895 9.255 -6.893 1.00 0.00 C ATOM 1303 CD GLU A 91 7.011 10.270 -6.638 1.00 0.00 C ATOM 1304 OE1 GLU A 91 6.671 11.385 -6.187 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.178 9.908 -6.899 1.00 0.00 O ATOM 0 H GLU A 91 6.842 8.299 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 91 4.078 7.809 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.558 10.446 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.101 10.086 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.263 9.174 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.327 8.270 -7.067 1.00 0.00 H new ATOM 1312 N PRO A 92 2.772 8.877 -10.342 1.00 0.00 N ATOM 1313 CA PRO A 92 2.022 8.437 -9.178 1.00 0.00 C ATOM 1314 C PRO A 92 2.098 6.917 -9.019 1.00 0.00 C ATOM 1315 O PRO A 92 2.129 6.187 -10.008 1.00 0.00 O ATOM 1316 CB PRO A 92 0.606 8.940 -9.410 1.00 0.00 C ATOM 1317 CG PRO A 92 0.507 9.235 -10.898 1.00 0.00 C ATOM 1318 CD PRO A 92 1.917 9.249 -11.465 1.00 0.00 C ATOM 0 HA PRO A 92 2.423 8.832 -8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.128 8.192 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.408 9.835 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.098 8.478 -11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.019 10.195 -11.065 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.019 8.545 -12.290 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.178 10.234 -11.852 1.00 0.00 H new ATOM 1326 N ILE A 93 2.125 6.486 -7.766 1.00 0.00 N ATOM 1327 CA ILE A 93 2.197 5.066 -7.465 1.00 0.00 C ATOM 1328 C ILE A 93 0.792 4.542 -7.161 1.00 0.00 C ATOM 1329 O ILE A 93 0.199 4.899 -6.145 1.00 0.00 O ATOM 1330 CB ILE A 93 3.206 4.807 -6.344 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.581 5.372 -6.703 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.270 3.318 -5.998 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.379 5.714 -5.443 1.00 0.00 C ATOM 0 H ILE A 93 2.098 7.095 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 93 2.565 4.511 -8.328 1.00 0.00 H new ATOM 0 HB ILE A 93 2.867 5.331 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.132 4.646 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.462 6.265 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.994 3.161 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.288 2.978 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.574 2.752 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.353 6.114 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.837 6.458 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.517 4.814 -4.844 1.00 0.00 H new ATOM 1345 N VAL A 94 0.300 3.704 -8.062 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.024 3.127 -7.903 1.00 0.00 C ATOM 1347 C VAL A 94 -0.936 1.902 -6.991 1.00 0.00 C ATOM 1348 O VAL A 94 -0.380 0.875 -7.377 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.625 2.810 -9.274 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.026 2.213 -9.134 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.645 4.054 -10.165 1.00 0.00 C ATOM 0 H VAL A 94 0.795 3.411 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.696 3.840 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.990 2.065 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.430 1.997 -10.123 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.972 1.291 -8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.675 2.925 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.077 3.801 -11.133 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.245 4.831 -9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.627 4.417 -10.306 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.493 2.051 -5.798 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.484 0.969 -4.828 1.00 0.00 C ATOM 1363 C VAL A 95 -2.921 0.517 -4.562 1.00 0.00 C ATOM 1364 O VAL A 95 -3.855 1.310 -4.670 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.751 1.410 -3.559 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.168 0.300 -3.044 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.032 2.702 -3.799 1.00 0.00 C ATOM 0 H VAL A 95 -1.953 2.904 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.940 0.109 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.499 1.609 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.677 0.639 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.424 -0.586 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.907 0.056 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.543 2.993 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.766 2.541 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.655 3.494 -4.098 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.053 -0.756 -4.218 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.361 -1.323 -3.935 1.00 0.00 C ATOM 1379 C GLN A 96 -4.338 -2.070 -2.600 1.00 0.00 C ATOM 1380 O GLN A 96 -3.353 -2.728 -2.270 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.817 -2.242 -5.070 1.00 0.00 C ATOM 1382 CG GLN A 96 -5.946 -3.165 -4.608 1.00 0.00 C ATOM 1383 CD GLN A 96 -6.934 -3.434 -5.744 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -6.866 -4.436 -6.437 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.855 -2.486 -5.896 1.00 0.00 N ATOM 0 H GLN A 96 -2.276 -1.411 -4.129 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.081 -0.508 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.156 -1.642 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.975 -2.839 -5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.528 -4.107 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.469 -2.712 -3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.855 -1.672 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.561 -2.573 -6.627 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.435 -1.943 -1.869 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.554 -2.598 -0.577 1.00 0.00 C ATOM 1396 C VAL A 97 -6.878 -3.362 -0.517 1.00 0.00 C ATOM 1397 O VAL A 97 -7.765 -3.140 -1.340 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.406 -1.570 0.547 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -4.167 -0.697 0.332 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.666 -0.711 0.674 1.00 0.00 C ATOM 0 H VAL A 97 -6.250 -1.396 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.753 -3.325 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.275 -2.113 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.085 0.025 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.277 -1.326 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.255 -0.167 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.534 0.011 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.841 -0.182 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.521 -1.350 0.895 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.969 -4.247 0.465 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.170 -5.046 0.643 1.00 0.00 C ATOM 1412 C LEU A 98 -8.907 -4.578 1.899 1.00 0.00 C ATOM 1413 O LEU A 98 -8.449 -4.815 3.016 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.825 -6.537 0.651 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.334 -7.349 -0.542 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -8.148 -6.578 -1.850 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.671 -8.727 -0.589 1.00 0.00 C ATOM 0 H LEU A 98 -6.231 -4.428 1.145 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.850 -4.905 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.741 -6.639 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.227 -6.978 1.563 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.404 -7.511 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.518 -7.178 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.704 -5.642 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.090 -6.365 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.050 -9.284 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.591 -8.608 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.899 -9.272 0.327 1.00 0.00 H new