USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -150:sc= -0.104 (180deg=-0.129) USER MOD Single : A 3 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.1!) USER MOD Single : A 6 GLN : amide:sc= 0.0192 X(o=0.019,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.5! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -10:sc= 0.267 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 131:sc= 1.31 USER MOD Single : A 39 CYS SG : rot 109:sc= 0.644 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 49 THR OG1 : rot 28:sc= 0.31 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 52 SER OG : rot -113:sc= 0.951 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -112:sc= -0.113 (180deg=-0.997) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -103:sc= -2.97! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.184 9.622 3.231 1.00 2.87 N ATOM 28 CA GLN A 3 12.924 9.742 2.505 1.00 2.29 C ATOM 29 C GLN A 3 12.328 8.370 2.214 1.00 1.97 C ATOM 30 O GLN A 3 13.052 7.398 2.000 1.00 2.17 O ATOM 31 CB GLN A 3 13.129 10.501 1.195 1.00 2.41 C ATOM 32 CG GLN A 3 13.146 12.012 1.360 1.00 3.17 C ATOM 33 CD GLN A 3 12.745 12.741 0.092 1.00 3.60 C ATOM 34 OE1 GLN A 3 11.863 12.294 -0.642 1.00 3.44 O ATOM 35 NE2 GLN A 3 13.392 13.870 -0.172 1.00 4.47 N ATOM 0 HA GLN A 3 12.230 10.298 3.135 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.069 10.183 0.745 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.335 10.229 0.500 1.00 2.41 H new ATOM 0 HG2 GLN A 3 12.469 12.293 2.166 1.00 3.17 H new ATOM 0 HG3 GLN A 3 14.145 12.330 1.657 1.00 3.17 H new ATOM 0 HE21 GLN A 3 14.116 14.204 0.464 1.00 4.47 H new ATOM 0 HE22 GLN A 3 13.165 14.404 -1.011 1.00 4.47 H new ATOM 44 N VAL A 4 11.001 8.303 2.211 1.00 1.57 N ATOM 45 CA VAL A 4 10.291 7.056 1.952 1.00 1.29 C ATOM 46 C VAL A 4 9.065 7.296 1.080 1.00 1.28 C ATOM 47 O VAL A 4 8.423 8.341 1.169 1.00 1.44 O ATOM 48 CB VAL A 4 9.836 6.369 3.257 1.00 1.17 C ATOM 49 CG1 VAL A 4 11.026 6.044 4.145 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.830 7.237 3.994 1.00 1.57 C ATOM 0 H VAL A 4 10.393 9.103 2.386 1.00 1.57 H new ATOM 0 HA VAL A 4 10.995 6.404 1.434 1.00 1.29 H new ATOM 0 HB VAL A 4 9.349 5.429 2.995 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.678 5.561 5.058 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.703 5.374 3.615 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.552 6.964 4.400 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.521 6.736 4.911 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.288 8.195 4.240 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.959 7.403 3.360 1.00 1.57 H new ATOM 60 N VAL A 5 8.734 6.312 0.253 1.00 1.14 N ATOM 61 CA VAL A 5 7.571 6.406 -0.615 1.00 1.22 C ATOM 62 C VAL A 5 6.400 5.703 0.051 1.00 1.03 C ATOM 63 O VAL A 5 6.564 4.641 0.652 1.00 0.92 O ATOM 64 CB VAL A 5 7.831 5.772 -1.995 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.919 6.534 -2.736 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.201 4.302 -1.851 1.00 1.70 C ATOM 0 H VAL A 5 9.256 5.440 0.166 1.00 1.14 H new ATOM 0 HA VAL A 5 7.349 7.461 -0.772 1.00 1.22 H new ATOM 0 HB VAL A 5 6.913 5.834 -2.580 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.089 6.072 -3.708 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.608 7.569 -2.876 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.841 6.508 -2.156 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.380 3.874 -2.837 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.103 4.211 -1.246 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.384 3.767 -1.366 1.00 1.70 H new ATOM 76 N GLN A 6 5.228 6.317 -0.010 1.00 1.03 N ATOM 77 CA GLN A 6 4.059 5.750 0.642 1.00 0.85 C ATOM 78 C GLN A 6 2.946 5.400 -0.332 1.00 0.83 C ATOM 79 O GLN A 6 2.741 6.078 -1.339 1.00 0.94 O ATOM 80 CB GLN A 6 3.524 6.717 1.698 1.00 0.83 C ATOM 81 CG GLN A 6 4.540 7.079 2.766 1.00 1.45 C ATOM 82 CD GLN A 6 4.797 8.572 2.839 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.227 9.271 3.677 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.657 9.067 1.958 1.00 2.01 N ATOM 0 H GLN A 6 5.062 7.197 -0.498 1.00 1.03 H new ATOM 0 HA GLN A 6 4.385 4.821 1.109 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.188 7.629 1.205 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.651 6.272 2.176 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.186 6.727 3.735 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.477 6.562 2.562 1.00 1.45 H new ATOM 0 HE21 GLN A 6 6.106 8.450 1.281 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.869 10.065 1.957 1.00 2.01 H new ATOM 93 N PHE A 7 2.211 4.345 0.003 1.00 0.74 N ATOM 94 CA PHE A 7 1.092 3.899 -0.802 1.00 0.78 C ATOM 95 C PHE A 7 -0.197 4.444 -0.199 1.00 0.62 C ATOM 96 O PHE A 7 -0.411 4.345 1.009 1.00 0.55 O ATOM 97 CB PHE A 7 1.048 2.366 -0.850 1.00 0.86 C ATOM 98 CG PHE A 7 -0.258 1.813 -1.341 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.749 2.163 -2.587 1.00 1.14 C ATOM 100 CD2 PHE A 7 -1.001 0.959 -0.547 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.957 1.668 -3.033 1.00 1.29 C ATOM 102 CE2 PHE A 7 -2.210 0.462 -0.984 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.691 0.816 -2.230 1.00 1.29 C ATOM 0 H PHE A 7 2.377 3.781 0.837 1.00 0.74 H new ATOM 0 HA PHE A 7 1.205 4.269 -1.821 1.00 0.78 H new ATOM 0 HB2 PHE A 7 1.849 2.009 -1.497 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.245 1.975 0.148 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.180 2.831 -3.217 1.00 1.14 H new ATOM 0 HD2 PHE A 7 -0.630 0.678 0.427 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -2.328 1.946 -4.008 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -2.781 -0.203 -0.353 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.638 0.428 -2.575 1.00 1.29 H new ATOM 113 N LYS A 8 -1.036 5.029 -1.045 1.00 0.60 N ATOM 114 CA LYS A 8 -2.299 5.608 -0.603 1.00 0.54 C ATOM 115 C LYS A 8 -3.479 4.916 -1.286 1.00 0.68 C ATOM 116 O LYS A 8 -3.454 4.677 -2.493 1.00 0.77 O ATOM 117 CB LYS A 8 -2.300 7.111 -0.908 1.00 0.61 C ATOM 118 CG LYS A 8 -3.642 7.800 -0.703 1.00 1.40 C ATOM 119 CD LYS A 8 -3.820 8.970 -1.662 1.00 2.22 C ATOM 120 CE LYS A 8 -2.611 9.897 -1.656 1.00 1.88 C ATOM 121 NZ LYS A 8 -2.862 11.142 -2.433 1.00 2.42 N ATOM 0 H LYS A 8 -0.863 5.115 -2.047 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.405 5.460 0.472 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -1.557 7.597 -0.276 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.985 7.259 -1.941 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -4.448 7.081 -0.851 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.717 8.156 0.325 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -3.982 8.591 -2.671 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -4.711 9.534 -1.386 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -2.357 10.156 -0.628 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -1.751 9.375 -2.075 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -2.016 11.746 -2.404 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -3.079 10.897 -3.420 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -3.667 11.654 -2.018 1.00 2.42 H new ATOM 135 N LEU A 9 -4.512 4.596 -0.505 1.00 0.86 N ATOM 136 CA LEU A 9 -5.703 3.930 -1.035 1.00 1.06 C ATOM 137 C LEU A 9 -6.179 4.612 -2.317 1.00 1.74 C ATOM 138 O LEU A 9 -6.597 5.770 -2.298 1.00 2.24 O ATOM 139 CB LEU A 9 -6.820 3.935 0.022 1.00 1.28 C ATOM 140 CG LEU A 9 -8.094 3.148 -0.329 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.843 3.807 -1.476 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.769 1.703 -0.663 1.00 1.96 C ATOM 0 H LEU A 9 -4.548 4.787 0.496 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.447 2.898 -1.275 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.414 3.533 0.950 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.100 4.970 0.219 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.740 3.156 0.549 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.740 3.230 -1.704 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.126 4.820 -1.191 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.201 3.843 -2.356 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.688 1.170 -0.907 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -7.093 1.670 -1.517 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.292 1.229 0.195 1.00 1.96 H new ATOM 154 N SER A 10 -6.113 3.884 -3.428 1.00 2.11 N ATOM 155 CA SER A 10 -6.536 4.417 -4.719 1.00 2.83 C ATOM 156 C SER A 10 -7.390 3.402 -5.471 1.00 2.93 C ATOM 157 O SER A 10 -6.938 2.790 -6.438 1.00 3.26 O ATOM 158 CB SER A 10 -5.319 4.801 -5.561 1.00 3.76 C ATOM 159 OG SER A 10 -5.710 5.478 -6.743 1.00 4.49 O ATOM 0 H SER A 10 -5.771 2.924 -3.460 1.00 2.11 H new ATOM 0 HA SER A 10 -7.137 5.308 -4.537 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.655 5.437 -4.976 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.755 3.905 -5.821 1.00 3.76 H new ATOM 0 HG SER A 10 -4.914 5.714 -7.263 1.00 4.49 H new ATOM 165 N ASP A 11 -8.625 3.228 -5.017 1.00 3.22 N ATOM 166 CA ASP A 11 -9.543 2.284 -5.644 1.00 3.68 C ATOM 167 C ASP A 11 -10.933 2.893 -5.817 1.00 3.44 C ATOM 168 O ASP A 11 -11.586 2.687 -6.840 1.00 4.01 O ATOM 169 CB ASP A 11 -9.635 1.003 -4.813 1.00 4.18 C ATOM 170 CG ASP A 11 -9.823 -0.231 -5.673 1.00 4.90 C ATOM 171 OD1 ASP A 11 -10.202 -0.081 -6.853 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.591 -1.348 -5.165 1.00 5.24 O ATOM 0 H ASP A 11 -9.014 3.728 -4.217 1.00 3.22 H new ATOM 0 HA ASP A 11 -9.151 2.044 -6.633 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.728 0.893 -4.218 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -10.467 1.086 -4.114 1.00 4.18 H new ATOM 177 N ILE A 12 -11.383 3.638 -4.812 1.00 2.82 N ATOM 178 CA ILE A 12 -12.697 4.268 -4.860 1.00 2.70 C ATOM 179 C ILE A 12 -12.588 5.788 -4.790 1.00 2.96 C ATOM 180 O ILE A 12 -11.488 6.340 -4.747 1.00 3.29 O ATOM 181 CB ILE A 12 -13.607 3.768 -3.719 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.802 3.556 -2.431 1.00 1.94 C ATOM 183 CG2 ILE A 12 -14.310 2.482 -4.131 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.945 2.304 -2.444 1.00 1.97 C ATOM 0 H ILE A 12 -10.858 3.820 -3.957 1.00 2.82 H new ATOM 0 HA ILE A 12 -13.143 3.988 -5.814 1.00 2.70 H new ATOM 0 HB ILE A 12 -14.362 4.529 -3.522 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -12.161 4.422 -2.267 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.490 3.505 -1.587 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.949 2.140 -3.317 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.918 2.667 -5.016 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.567 1.717 -4.355 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.406 2.222 -1.500 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.581 1.429 -2.575 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -11.231 2.360 -3.266 1.00 1.97 H new ATOM 196 N GLY A 13 -13.736 6.459 -4.790 1.00 3.15 N ATOM 197 CA GLY A 13 -13.752 7.910 -4.739 1.00 3.67 C ATOM 198 C GLY A 13 -13.838 8.451 -3.324 1.00 3.84 C ATOM 199 O GLY A 13 -14.042 7.697 -2.373 1.00 3.63 O ATOM 0 H GLY A 13 -14.657 6.023 -4.824 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.850 8.295 -5.215 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.600 8.279 -5.316 1.00 3.67 H new ATOM 203 N GLU A 14 -13.679 9.765 -3.190 1.00 4.49 N ATOM 204 CA GLU A 14 -13.735 10.418 -1.887 1.00 4.81 C ATOM 205 C GLU A 14 -15.176 10.725 -1.489 1.00 4.15 C ATOM 206 O GLU A 14 -15.678 11.821 -1.740 1.00 4.04 O ATOM 207 CB GLU A 14 -12.917 11.711 -1.910 1.00 5.76 C ATOM 208 CG GLU A 14 -11.481 11.532 -1.449 1.00 6.16 C ATOM 209 CD GLU A 14 -10.834 12.837 -1.027 1.00 7.04 C ATOM 210 OE1 GLU A 14 -11.313 13.447 -0.048 1.00 7.20 O ATOM 211 OE2 GLU A 14 -9.850 13.250 -1.676 1.00 7.72 O ATOM 0 H GLU A 14 -13.510 10.399 -3.971 1.00 4.49 H new ATOM 0 HA GLU A 14 -13.312 9.736 -1.149 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.917 12.113 -2.923 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -13.404 12.450 -1.274 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -11.457 10.832 -0.613 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -10.898 11.086 -2.255 1.00 6.16 H new ATOM 218 N GLY A 15 -15.836 9.753 -0.867 1.00 3.81 N ATOM 219 CA GLY A 15 -17.211 9.943 -0.444 1.00 3.32 C ATOM 220 C GLY A 15 -17.977 8.637 -0.366 1.00 2.93 C ATOM 221 O GLY A 15 -18.771 8.427 0.551 1.00 3.13 O ATOM 0 H GLY A 15 -15.443 8.837 -0.649 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -17.224 10.428 0.532 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -17.713 10.615 -1.140 1.00 3.32 H new ATOM 225 N ILE A 16 -17.739 7.761 -1.336 1.00 2.53 N ATOM 226 CA ILE A 16 -18.409 6.468 -1.385 1.00 2.22 C ATOM 227 C ILE A 16 -17.766 5.476 -0.421 1.00 1.91 C ATOM 228 O ILE A 16 -16.882 5.831 0.357 1.00 1.88 O ATOM 229 CB ILE A 16 -18.372 5.877 -2.808 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.932 5.539 -3.206 1.00 2.32 C ATOM 231 CG2 ILE A 16 -18.989 6.848 -3.804 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.758 4.121 -3.702 1.00 2.22 C ATOM 0 H ILE A 16 -17.085 7.924 -2.101 1.00 2.53 H new ATOM 0 HA ILE A 16 -19.445 6.636 -1.090 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.958 4.958 -2.818 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -16.607 6.230 -3.984 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -16.280 5.697 -2.347 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -18.955 6.415 -4.804 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -20.025 7.042 -3.528 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -18.429 7.783 -3.795 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.714 3.953 -3.965 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -17.051 3.423 -2.918 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -17.384 3.964 -4.581 1.00 2.22 H new ATOM 244 N ARG A 17 -18.212 4.227 -0.490 1.00 1.82 N ATOM 245 CA ARG A 17 -17.677 3.174 0.361 1.00 1.64 C ATOM 246 C ARG A 17 -16.168 3.052 0.178 1.00 1.22 C ATOM 247 O ARG A 17 -15.634 3.379 -0.881 1.00 1.14 O ATOM 248 CB ARG A 17 -18.350 1.839 0.038 1.00 1.77 C ATOM 249 CG ARG A 17 -18.157 1.398 -1.404 1.00 2.27 C ATOM 250 CD ARG A 17 -19.095 0.261 -1.770 1.00 2.75 C ATOM 251 NE ARG A 17 -18.531 -1.043 -1.432 1.00 3.16 N ATOM 252 CZ ARG A 17 -18.921 -2.182 -1.994 1.00 3.76 C ATOM 253 NH1 ARG A 17 -19.876 -2.178 -2.915 1.00 4.04 N ATOM 254 NH2 ARG A 17 -18.356 -3.327 -1.636 1.00 4.40 N ATOM 0 H ARG A 17 -18.945 3.919 -1.129 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.883 3.434 1.399 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -17.953 1.071 0.701 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -19.417 1.919 0.246 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -18.331 2.243 -2.070 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -17.125 1.082 -1.553 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -20.044 0.392 -1.249 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -19.310 0.297 -2.838 1.00 2.75 H new ATOM 0 HE ARG A 17 -17.797 -1.081 -0.725 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -20.313 -1.299 -3.193 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -20.174 -3.054 -3.345 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -17.621 -3.334 -0.929 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -18.656 -4.201 -2.068 1.00 4.40 H new ATOM 268 N GLU A 18 -15.487 2.576 1.212 1.00 1.16 N ATOM 269 CA GLU A 18 -14.040 2.408 1.162 1.00 0.91 C ATOM 270 C GLU A 18 -13.697 0.956 0.842 1.00 0.63 C ATOM 271 O GLU A 18 -14.592 0.115 0.763 1.00 0.66 O ATOM 272 CB GLU A 18 -13.416 2.839 2.487 1.00 1.29 C ATOM 273 CG GLU A 18 -13.456 4.342 2.705 1.00 1.64 C ATOM 274 CD GLU A 18 -14.442 4.743 3.785 1.00 1.83 C ATOM 275 OE1 GLU A 18 -14.049 4.761 4.971 1.00 2.17 O ATOM 276 OE2 GLU A 18 -15.607 5.038 3.445 1.00 2.11 O ATOM 0 H GLU A 18 -15.913 2.299 2.096 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.631 3.039 0.373 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.940 2.345 3.306 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.380 2.501 2.521 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.461 4.694 2.977 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.724 4.835 1.771 1.00 1.64 H new ATOM 283 N VAL A 19 -12.417 0.655 0.630 1.00 0.63 N ATOM 284 CA VAL A 19 -12.037 -0.719 0.288 1.00 0.57 C ATOM 285 C VAL A 19 -11.129 -1.360 1.333 1.00 0.41 C ATOM 286 O VAL A 19 -10.309 -0.692 1.964 1.00 0.47 O ATOM 287 CB VAL A 19 -11.361 -0.798 -1.093 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.035 -0.064 -1.084 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.174 -2.248 -1.512 1.00 1.16 C ATOM 0 H VAL A 19 -11.645 1.319 0.686 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.971 -1.280 0.262 1.00 0.57 H new ATOM 0 HB VAL A 19 -12.010 -0.313 -1.822 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.575 -0.133 -2.070 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.201 0.984 -0.833 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.375 -0.515 -0.343 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.695 -2.285 -2.490 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.548 -2.760 -0.782 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.145 -2.740 -1.565 1.00 1.16 H new ATOM 299 N THR A 20 -11.294 -2.672 1.507 1.00 0.37 N ATOM 300 CA THR A 20 -10.509 -3.431 2.475 1.00 0.30 C ATOM 301 C THR A 20 -9.345 -4.142 1.806 1.00 0.33 C ATOM 302 O THR A 20 -9.378 -4.422 0.608 1.00 0.65 O ATOM 303 CB THR A 20 -11.364 -4.507 3.178 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.755 -4.172 3.099 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.947 -4.673 4.635 1.00 0.54 C ATOM 0 H THR A 20 -11.969 -3.232 0.986 1.00 0.37 H new ATOM 0 HA THR A 20 -10.143 -2.707 3.203 1.00 0.30 H new ATOM 0 HB THR A 20 -11.199 -5.454 2.665 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.284 -4.864 3.547 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.566 -5.437 5.106 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.900 -4.974 4.682 1.00 0.54 H new ATOM 0 HG23 THR A 20 -11.076 -3.727 5.161 1.00 0.54 H new ATOM 313 N VAL A 21 -8.326 -4.454 2.596 1.00 0.28 N ATOM 314 CA VAL A 21 -7.161 -5.161 2.080 1.00 0.25 C ATOM 315 C VAL A 21 -7.461 -6.653 1.967 1.00 0.29 C ATOM 316 O VAL A 21 -8.035 -7.248 2.878 1.00 0.33 O ATOM 317 CB VAL A 21 -5.924 -4.956 2.975 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.707 -5.640 2.371 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.658 -3.473 3.188 1.00 1.21 C ATOM 0 H VAL A 21 -8.282 -4.230 3.590 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.940 -4.750 1.095 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.123 -5.410 3.946 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.844 -5.484 3.018 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.900 -6.708 2.275 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.504 -5.219 1.387 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.781 -3.348 3.823 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.481 -2.993 2.225 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.522 -3.014 3.669 1.00 1.21 H new ATOM 329 N LYS A 22 -7.090 -7.249 0.841 1.00 0.36 N ATOM 330 CA LYS A 22 -7.341 -8.667 0.614 1.00 0.46 C ATOM 331 C LYS A 22 -6.075 -9.497 0.806 1.00 0.52 C ATOM 332 O LYS A 22 -6.133 -10.619 1.309 1.00 0.66 O ATOM 333 CB LYS A 22 -7.900 -8.888 -0.793 1.00 0.52 C ATOM 334 CG LYS A 22 -9.194 -9.685 -0.814 1.00 0.78 C ATOM 335 CD LYS A 22 -8.927 -11.181 -0.770 1.00 1.48 C ATOM 336 CE LYS A 22 -10.162 -11.954 -0.340 1.00 2.16 C ATOM 337 NZ LYS A 22 -10.030 -13.411 -0.618 1.00 2.95 N ATOM 0 H LYS A 22 -6.616 -6.775 0.073 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.075 -8.995 1.350 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.071 -7.920 -1.263 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.153 -9.407 -1.394 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -9.812 -9.399 0.037 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -9.758 -9.441 -1.714 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -8.606 -11.524 -1.754 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -8.109 -11.386 -0.079 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -10.333 -11.802 0.726 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.035 -11.563 -0.862 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -10.893 -13.903 -0.310 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -9.893 -13.559 -1.638 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -9.212 -13.791 -0.100 1.00 2.95 H new ATOM 351 N GLU A 23 -4.935 -8.948 0.399 1.00 0.46 N ATOM 352 CA GLU A 23 -3.667 -9.658 0.527 1.00 0.56 C ATOM 353 C GLU A 23 -2.607 -8.803 1.218 1.00 0.42 C ATOM 354 O GLU A 23 -2.283 -7.705 0.764 1.00 0.42 O ATOM 355 CB GLU A 23 -3.163 -10.097 -0.849 1.00 0.73 C ATOM 356 CG GLU A 23 -2.934 -11.596 -0.961 1.00 1.09 C ATOM 357 CD GLU A 23 -1.829 -11.945 -1.939 1.00 1.33 C ATOM 358 OE1 GLU A 23 -0.726 -11.372 -1.818 1.00 1.63 O ATOM 359 OE2 GLU A 23 -2.068 -12.790 -2.827 1.00 2.13 O ATOM 0 H GLU A 23 -4.863 -8.021 -0.019 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.846 -10.537 1.146 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.884 -9.790 -1.606 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.230 -9.578 -1.068 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -2.684 -11.996 0.022 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -3.859 -12.079 -1.276 1.00 1.09 H new ATOM 366 N TRP A 24 -2.065 -9.328 2.312 1.00 0.35 N ATOM 367 CA TRP A 24 -1.029 -8.637 3.073 1.00 0.26 C ATOM 368 C TRP A 24 0.207 -9.526 3.196 1.00 0.24 C ATOM 369 O TRP A 24 0.152 -10.596 3.802 1.00 0.33 O ATOM 370 CB TRP A 24 -1.551 -8.268 4.464 1.00 0.37 C ATOM 371 CG TRP A 24 -2.028 -6.852 4.570 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.290 -6.436 4.880 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.253 -5.665 4.368 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.348 -5.064 4.886 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.110 -4.567 4.574 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.082 -5.424 4.032 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.673 -3.249 4.459 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.514 -4.116 3.917 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.361 -3.043 4.130 1.00 0.70 C ATOM 0 H TRP A 24 -2.328 -10.236 2.694 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.757 -7.722 2.547 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.370 -8.939 4.725 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.759 -8.431 5.195 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.123 -7.091 5.090 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.177 -4.506 5.089 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.764 -6.245 3.865 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.345 -2.420 4.624 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.544 -3.918 3.659 1.00 0.83 H new ATOM 0 HH2 TRP A 24 0.008 -2.033 4.033 1.00 0.70 H new ATOM 390 N TYR A 25 1.316 -9.090 2.605 1.00 0.20 N ATOM 391 CA TYR A 25 2.550 -9.871 2.645 1.00 0.31 C ATOM 392 C TYR A 25 3.706 -9.065 3.227 1.00 0.27 C ATOM 393 O TYR A 25 4.870 -9.343 2.943 1.00 0.36 O ATOM 394 CB TYR A 25 2.913 -10.352 1.239 1.00 0.42 C ATOM 395 CG TYR A 25 2.828 -11.852 1.072 1.00 0.70 C ATOM 396 CD1 TYR A 25 1.602 -12.484 0.914 1.00 1.16 C ATOM 397 CD2 TYR A 25 3.975 -12.635 1.072 1.00 1.07 C ATOM 398 CE1 TYR A 25 1.520 -13.855 0.761 1.00 1.44 C ATOM 399 CE2 TYR A 25 3.903 -14.006 0.919 1.00 1.34 C ATOM 400 CZ TYR A 25 2.673 -14.612 0.764 1.00 1.36 C ATOM 401 OH TYR A 25 2.592 -15.980 0.610 1.00 1.72 O ATOM 0 H TYR A 25 1.387 -8.208 2.097 1.00 0.20 H new ATOM 0 HA TYR A 25 2.377 -10.730 3.293 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.248 -9.876 0.518 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.926 -10.025 1.002 1.00 0.42 H new ATOM 0 HD1 TYR A 25 0.697 -11.894 0.911 1.00 1.16 H new ATOM 0 HD2 TYR A 25 4.939 -12.164 1.194 1.00 1.07 H new ATOM 0 HE1 TYR A 25 0.558 -14.331 0.640 1.00 1.44 H new ATOM 0 HE2 TYR A 25 4.805 -14.600 0.921 1.00 1.34 H new ATOM 0 HH TYR A 25 3.493 -16.366 0.633 1.00 1.72 H new ATOM 411 N VAL A 26 3.384 -8.066 4.040 1.00 0.22 N ATOM 412 CA VAL A 26 4.409 -7.228 4.650 1.00 0.22 C ATOM 413 C VAL A 26 3.939 -6.673 5.994 1.00 0.22 C ATOM 414 O VAL A 26 2.744 -6.665 6.288 1.00 0.31 O ATOM 415 CB VAL A 26 4.811 -6.070 3.711 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.146 -6.603 2.329 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.708 -5.023 3.623 1.00 0.40 C ATOM 0 H VAL A 26 2.427 -7.817 4.291 1.00 0.22 H new ATOM 0 HA VAL A 26 5.284 -7.855 4.821 1.00 0.22 H new ATOM 0 HB VAL A 26 5.697 -5.590 4.128 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.427 -5.775 1.678 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.976 -7.306 2.401 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.275 -7.111 1.914 1.00 0.50 H new ATOM 0 HG21 VAL A 26 4.021 -4.221 2.955 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.799 -5.484 3.236 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.514 -4.614 4.615 1.00 0.40 H new ATOM 427 N LYS A 27 4.886 -6.216 6.810 1.00 0.24 N ATOM 428 CA LYS A 27 4.560 -5.669 8.123 1.00 0.26 C ATOM 429 C LYS A 27 5.491 -4.522 8.503 1.00 0.29 C ATOM 430 O LYS A 27 6.466 -4.236 7.810 1.00 0.42 O ATOM 431 CB LYS A 27 4.634 -6.768 9.185 1.00 0.38 C ATOM 432 CG LYS A 27 3.273 -7.291 9.615 1.00 0.61 C ATOM 433 CD LYS A 27 2.525 -6.271 10.457 1.00 0.99 C ATOM 434 CE LYS A 27 1.197 -6.823 10.949 1.00 1.52 C ATOM 435 NZ LYS A 27 0.442 -5.820 11.750 1.00 1.89 N ATOM 0 H LYS A 27 5.881 -6.214 6.586 1.00 0.24 H new ATOM 0 HA LYS A 27 3.544 -5.276 8.073 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.227 -7.597 8.798 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.159 -6.382 10.059 1.00 0.38 H new ATOM 0 HG2 LYS A 27 2.682 -7.540 8.733 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.399 -8.212 10.184 1.00 0.61 H new ATOM 0 HD2 LYS A 27 3.139 -5.981 11.310 1.00 0.99 H new ATOM 0 HD3 LYS A 27 2.351 -5.370 9.869 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.595 -7.134 10.096 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.375 -7.712 11.554 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.457 -6.235 12.067 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 1.006 -5.542 12.578 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 0.250 -4.982 11.165 1.00 1.89 H new ATOM 449 N GLU A 28 5.166 -3.866 9.609 1.00 0.30 N ATOM 450 CA GLU A 28 5.958 -2.739 10.103 1.00 0.34 C ATOM 451 C GLU A 28 7.408 -3.151 10.348 1.00 0.38 C ATOM 452 O GLU A 28 7.673 -4.212 10.914 1.00 0.42 O ATOM 453 CB GLU A 28 5.362 -2.189 11.407 1.00 0.42 C ATOM 454 CG GLU A 28 3.846 -2.270 11.482 1.00 0.35 C ATOM 455 CD GLU A 28 3.251 -1.210 12.389 1.00 1.10 C ATOM 456 OE1 GLU A 28 4.013 -0.349 12.876 1.00 2.03 O ATOM 457 OE2 GLU A 28 2.022 -1.242 12.612 1.00 1.23 O ATOM 0 H GLU A 28 4.356 -4.094 10.186 1.00 0.30 H new ATOM 0 HA GLU A 28 5.935 -1.963 9.338 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.786 -2.739 12.247 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.665 -1.148 11.521 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.430 -2.162 10.480 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.556 -3.257 11.843 1.00 0.35 H new ATOM 464 N GLY A 29 8.346 -2.303 9.929 1.00 0.39 N ATOM 465 CA GLY A 29 9.754 -2.602 10.128 1.00 0.45 C ATOM 466 C GLY A 29 10.267 -3.701 9.214 1.00 0.40 C ATOM 467 O GLY A 29 11.424 -4.108 9.319 1.00 0.44 O ATOM 0 H GLY A 29 8.157 -1.419 9.458 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.338 -1.697 9.961 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.913 -2.897 11.165 1.00 0.45 H new ATOM 471 N ASP A 30 9.409 -4.198 8.327 1.00 0.34 N ATOM 472 CA ASP A 30 9.795 -5.270 7.415 1.00 0.31 C ATOM 473 C ASP A 30 10.168 -4.728 6.042 1.00 0.25 C ATOM 474 O ASP A 30 9.713 -3.658 5.638 1.00 0.24 O ATOM 475 CB ASP A 30 8.667 -6.294 7.284 1.00 0.31 C ATOM 476 CG ASP A 30 9.043 -7.642 7.867 1.00 0.91 C ATOM 477 OD1 ASP A 30 8.975 -7.793 9.105 1.00 1.36 O ATOM 478 OD2 ASP A 30 9.407 -8.547 7.086 1.00 1.27 O ATOM 0 H ASP A 30 8.447 -3.877 8.221 1.00 0.34 H new ATOM 0 HA ASP A 30 10.674 -5.758 7.836 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.777 -5.918 7.789 1.00 0.31 H new ATOM 0 HB3 ASP A 30 8.409 -6.415 6.232 1.00 0.31 H new ATOM 483 N THR A 31 11.005 -5.476 5.331 1.00 0.23 N ATOM 484 CA THR A 31 11.448 -5.077 4.003 1.00 0.18 C ATOM 485 C THR A 31 10.653 -5.790 2.915 1.00 0.18 C ATOM 486 O THR A 31 10.145 -6.893 3.119 1.00 0.30 O ATOM 487 CB THR A 31 12.946 -5.370 3.801 1.00 0.19 C ATOM 488 OG1 THR A 31 13.690 -4.939 4.947 1.00 0.31 O ATOM 489 CG2 THR A 31 13.469 -4.671 2.556 1.00 0.30 C ATOM 0 H THR A 31 11.390 -6.363 5.654 1.00 0.23 H new ATOM 0 HA THR A 31 11.278 -4.003 3.925 1.00 0.18 H new ATOM 0 HB THR A 31 13.070 -6.445 3.674 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.641 -5.131 4.811 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.529 -4.892 2.433 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.921 -5.025 1.683 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.332 -3.594 2.659 1.00 0.30 H new ATOM 497 N VAL A 32 10.551 -5.146 1.759 1.00 0.14 N ATOM 498 CA VAL A 32 9.820 -5.698 0.625 1.00 0.14 C ATOM 499 C VAL A 32 10.768 -6.091 -0.501 1.00 0.14 C ATOM 500 O VAL A 32 11.904 -5.622 -0.561 1.00 0.18 O ATOM 501 CB VAL A 32 8.773 -4.706 0.058 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.374 -5.135 0.451 1.00 0.28 C ATOM 503 CG2 VAL A 32 9.039 -3.272 0.508 1.00 0.18 C ATOM 0 H VAL A 32 10.969 -4.233 1.581 1.00 0.14 H new ATOM 0 HA VAL A 32 9.301 -6.579 1.004 1.00 0.14 H new ATOM 0 HB VAL A 32 8.860 -4.725 -1.028 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.649 -4.429 0.046 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.173 -6.130 0.053 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.292 -5.156 1.538 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.281 -2.612 0.087 1.00 0.18 H new ATOM 0 HG22 VAL A 32 9.002 -3.219 1.596 1.00 0.18 H new ATOM 0 HG23 VAL A 32 10.025 -2.959 0.163 1.00 0.18 H new ATOM 513 N SER A 33 10.283 -6.945 -1.398 1.00 0.23 N ATOM 514 CA SER A 33 11.074 -7.398 -2.535 1.00 0.31 C ATOM 515 C SER A 33 10.263 -7.307 -3.823 1.00 0.33 C ATOM 516 O SER A 33 9.092 -6.924 -3.805 1.00 0.35 O ATOM 517 CB SER A 33 11.549 -8.835 -2.316 1.00 0.38 C ATOM 518 OG SER A 33 12.920 -8.976 -2.644 1.00 1.42 O ATOM 0 H SER A 33 9.342 -7.338 -1.358 1.00 0.23 H new ATOM 0 HA SER A 33 11.945 -6.749 -2.625 1.00 0.31 H new ATOM 0 HB2 SER A 33 11.390 -9.119 -1.276 1.00 0.38 H new ATOM 0 HB3 SER A 33 10.954 -9.515 -2.926 1.00 0.38 H new ATOM 0 HG SER A 33 13.236 -8.161 -3.087 1.00 1.42 H new ATOM 524 N GLN A 34 10.889 -7.658 -4.941 1.00 0.37 N ATOM 525 CA GLN A 34 10.222 -7.611 -6.237 1.00 0.41 C ATOM 526 C GLN A 34 9.159 -8.700 -6.348 1.00 0.43 C ATOM 527 O GLN A 34 8.218 -8.584 -7.132 1.00 0.52 O ATOM 528 CB GLN A 34 11.243 -7.764 -7.366 1.00 0.44 C ATOM 529 CG GLN A 34 12.452 -6.855 -7.219 1.00 0.76 C ATOM 530 CD GLN A 34 13.380 -6.924 -8.416 1.00 1.54 C ATOM 531 OE1 GLN A 34 14.140 -7.879 -8.572 1.00 2.38 O ATOM 532 NE2 GLN A 34 13.323 -5.907 -9.269 1.00 1.72 N ATOM 0 H GLN A 34 11.857 -7.978 -4.976 1.00 0.37 H new ATOM 0 HA GLN A 34 9.731 -6.642 -6.326 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.580 -8.800 -7.402 1.00 0.44 H new ATOM 0 HB3 GLN A 34 10.754 -7.554 -8.318 1.00 0.44 H new ATOM 0 HG2 GLN A 34 12.115 -5.827 -7.083 1.00 0.76 H new ATOM 0 HG3 GLN A 34 13.003 -7.131 -6.320 1.00 0.76 H new ATOM 0 HE21 GLN A 34 12.677 -5.135 -9.100 1.00 1.72 H new ATOM 0 HE22 GLN A 34 13.925 -5.898 -10.093 1.00 1.72 H new ATOM 541 N PHE A 35 9.316 -9.758 -5.560 1.00 0.43 N ATOM 542 CA PHE A 35 8.369 -10.867 -5.575 1.00 0.48 C ATOM 543 C PHE A 35 7.395 -10.777 -4.401 1.00 0.43 C ATOM 544 O PHE A 35 6.315 -11.366 -4.436 1.00 0.47 O ATOM 545 CB PHE A 35 9.115 -12.201 -5.531 1.00 0.58 C ATOM 546 CG PHE A 35 9.176 -12.900 -6.860 1.00 0.99 C ATOM 547 CD1 PHE A 35 9.670 -12.249 -7.979 1.00 1.86 C ATOM 548 CD2 PHE A 35 8.742 -14.210 -6.989 1.00 1.12 C ATOM 549 CE1 PHE A 35 9.729 -12.890 -9.202 1.00 2.52 C ATOM 550 CE2 PHE A 35 8.798 -14.857 -8.209 1.00 1.64 C ATOM 551 CZ PHE A 35 9.293 -14.196 -9.317 1.00 2.31 C ATOM 0 H PHE A 35 10.089 -9.871 -4.904 1.00 0.43 H new ATOM 0 HA PHE A 35 7.796 -10.806 -6.500 1.00 0.48 H new ATOM 0 HB2 PHE A 35 10.130 -12.028 -5.174 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.629 -12.856 -4.807 1.00 0.58 H new ATOM 0 HD1 PHE A 35 10.013 -11.228 -7.894 1.00 1.86 H new ATOM 0 HD2 PHE A 35 8.355 -14.731 -6.126 1.00 1.12 H new ATOM 0 HE1 PHE A 35 10.115 -12.371 -10.067 1.00 2.52 H new ATOM 0 HE2 PHE A 35 8.455 -15.878 -8.296 1.00 1.64 H new ATOM 0 HZ PHE A 35 9.339 -14.699 -10.271 1.00 2.31 H new ATOM 561 N ASP A 36 7.783 -10.044 -3.362 1.00 0.36 N ATOM 562 CA ASP A 36 6.940 -9.888 -2.182 1.00 0.34 C ATOM 563 C ASP A 36 6.152 -8.581 -2.235 1.00 0.25 C ATOM 564 O ASP A 36 6.689 -7.509 -1.955 1.00 0.21 O ATOM 565 CB ASP A 36 7.792 -9.932 -0.912 1.00 0.41 C ATOM 566 CG ASP A 36 7.626 -11.231 -0.149 1.00 0.76 C ATOM 567 OD1 ASP A 36 7.245 -12.243 -0.775 1.00 0.84 O ATOM 568 OD2 ASP A 36 7.876 -11.237 1.074 1.00 1.69 O ATOM 0 H ASP A 36 8.674 -9.550 -3.313 1.00 0.36 H new ATOM 0 HA ASP A 36 6.230 -10.715 -2.166 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.841 -9.801 -1.177 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.520 -9.097 -0.266 1.00 0.41 H new ATOM 573 N SER A 37 4.875 -8.681 -2.590 1.00 0.26 N ATOM 574 CA SER A 37 4.008 -7.510 -2.675 1.00 0.21 C ATOM 575 C SER A 37 3.752 -6.925 -1.289 1.00 0.23 C ATOM 576 O SER A 37 3.915 -7.609 -0.279 1.00 0.28 O ATOM 577 CB SER A 37 2.680 -7.879 -3.341 1.00 0.25 C ATOM 578 OG SER A 37 2.276 -9.189 -2.981 1.00 0.94 O ATOM 0 H SER A 37 4.417 -9.562 -2.824 1.00 0.26 H new ATOM 0 HA SER A 37 4.511 -6.757 -3.281 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.911 -7.164 -3.047 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.781 -7.811 -4.424 1.00 0.25 H new ATOM 0 HG SER A 37 1.342 -9.173 -2.683 1.00 0.94 H new ATOM 584 N ILE A 38 3.347 -5.658 -1.245 1.00 0.22 N ATOM 585 CA ILE A 38 3.066 -4.992 0.024 1.00 0.27 C ATOM 586 C ILE A 38 1.634 -5.260 0.472 1.00 0.27 C ATOM 587 O ILE A 38 1.399 -6.000 1.430 1.00 0.27 O ATOM 588 CB ILE A 38 3.300 -3.472 -0.070 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.703 -3.201 -0.646 1.00 0.36 C ATOM 590 CG2 ILE A 38 3.119 -2.830 1.304 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.292 -1.851 -0.285 1.00 0.47 C ATOM 0 H ILE A 38 3.207 -5.074 -2.070 1.00 0.22 H new ATOM 0 HA ILE A 38 3.756 -5.403 0.761 1.00 0.27 H new ATOM 0 HB ILE A 38 2.567 -3.025 -0.742 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.380 -3.981 -0.298 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.656 -3.282 -1.732 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.286 -1.756 1.228 1.00 0.34 H new ATOM 0 HG22 ILE A 38 2.106 -3.015 1.662 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.835 -3.260 2.004 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.280 -1.753 -0.736 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.643 -1.059 -0.658 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.378 -1.769 0.799 1.00 0.47 H new ATOM 603 N CYS A 39 0.680 -4.662 -0.232 1.00 0.32 N ATOM 604 CA CYS A 39 -0.732 -4.839 0.085 1.00 0.34 C ATOM 605 C CYS A 39 -1.555 -4.982 -1.190 1.00 0.40 C ATOM 606 O CYS A 39 -1.136 -4.549 -2.261 1.00 0.55 O ATOM 607 CB CYS A 39 -1.253 -3.660 0.911 1.00 0.40 C ATOM 608 SG CYS A 39 -0.499 -2.067 0.499 1.00 1.29 S ATOM 0 H CYS A 39 0.859 -4.049 -1.028 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.833 -5.751 0.673 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.332 -3.584 0.773 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.080 -3.868 1.967 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.369 -1.321 -0.116 1.00 1.29 H new ATOM 614 N GLU A 40 -2.726 -5.593 -1.070 1.00 0.36 N ATOM 615 CA GLU A 40 -3.601 -5.789 -2.218 1.00 0.44 C ATOM 616 C GLU A 40 -5.058 -5.563 -1.834 1.00 0.48 C ATOM 617 O GLU A 40 -5.565 -6.187 -0.904 1.00 0.50 O ATOM 618 CB GLU A 40 -3.421 -7.200 -2.783 1.00 0.57 C ATOM 619 CG GLU A 40 -2.133 -7.381 -3.569 1.00 1.15 C ATOM 620 CD GLU A 40 -1.420 -8.676 -3.233 1.00 1.65 C ATOM 621 OE1 GLU A 40 -1.962 -9.753 -3.556 1.00 2.37 O ATOM 622 OE2 GLU A 40 -0.318 -8.613 -2.647 1.00 1.74 O ATOM 0 H GLU A 40 -3.091 -5.961 -0.192 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.330 -5.061 -2.982 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.439 -7.916 -1.962 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.267 -7.434 -3.429 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -2.357 -7.360 -4.636 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.468 -6.542 -3.367 1.00 1.15 H new ATOM 629 N VAL A 41 -5.730 -4.674 -2.558 1.00 0.55 N ATOM 630 CA VAL A 41 -7.132 -4.379 -2.288 1.00 0.64 C ATOM 631 C VAL A 41 -8.004 -4.743 -3.485 1.00 0.92 C ATOM 632 O VAL A 41 -7.598 -4.573 -4.634 1.00 1.08 O ATOM 633 CB VAL A 41 -7.348 -2.893 -1.923 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.408 -2.478 -0.802 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.164 -1.993 -3.138 1.00 1.32 C ATOM 0 H VAL A 41 -5.328 -4.147 -3.333 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.424 -4.987 -1.431 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.375 -2.779 -1.576 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.574 -1.429 -0.558 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.600 -3.090 0.079 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.376 -2.617 -1.123 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.323 -0.954 -2.849 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.153 -2.111 -3.528 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.885 -2.269 -3.908 1.00 1.32 H new ATOM 645 N GLN A 42 -9.200 -5.248 -3.209 1.00 1.03 N ATOM 646 CA GLN A 42 -10.122 -5.638 -4.269 1.00 1.34 C ATOM 647 C GLN A 42 -11.479 -4.965 -4.095 1.00 1.39 C ATOM 648 O GLN A 42 -12.015 -4.900 -2.989 1.00 1.38 O ATOM 649 CB GLN A 42 -10.291 -7.159 -4.291 1.00 1.58 C ATOM 650 CG GLN A 42 -9.430 -7.852 -5.336 1.00 1.80 C ATOM 651 CD GLN A 42 -9.327 -9.347 -5.108 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.272 -9.983 -4.644 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.173 -9.917 -5.436 1.00 2.60 N ATOM 0 H GLN A 42 -9.554 -5.397 -2.264 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.699 -5.311 -5.219 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.045 -7.558 -3.307 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.338 -7.397 -4.479 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.847 -7.667 -6.326 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.431 -7.417 -5.325 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.415 -9.351 -5.818 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.045 -10.921 -5.306 1.00 2.60 H new ATOM 662 N SER A 43 -12.029 -4.468 -5.198 1.00 1.55 N ATOM 663 CA SER A 43 -13.325 -3.800 -5.176 1.00 1.64 C ATOM 664 C SER A 43 -14.295 -4.474 -6.140 1.00 2.05 C ATOM 665 O SER A 43 -13.882 -5.100 -7.116 1.00 2.29 O ATOM 666 CB SER A 43 -13.169 -2.322 -5.537 1.00 1.43 C ATOM 667 OG SER A 43 -14.277 -1.566 -5.080 1.00 1.73 O ATOM 0 H SER A 43 -11.596 -4.516 -6.120 1.00 1.55 H new ATOM 0 HA SER A 43 -13.730 -3.876 -4.167 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.252 -1.932 -5.096 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.074 -2.216 -6.618 1.00 1.43 H new ATOM 0 HG SER A 43 -14.153 -0.624 -5.322 1.00 1.73 H new ATOM 673 N ASP A 44 -15.587 -4.344 -5.860 1.00 2.23 N ATOM 674 CA ASP A 44 -16.617 -4.943 -6.701 1.00 2.66 C ATOM 675 C ASP A 44 -16.450 -4.527 -8.161 1.00 2.80 C ATOM 676 O ASP A 44 -16.938 -5.204 -9.066 1.00 3.14 O ATOM 677 CB ASP A 44 -18.007 -4.543 -6.205 1.00 2.85 C ATOM 678 CG ASP A 44 -19.100 -5.424 -6.778 1.00 3.67 C ATOM 679 OD1 ASP A 44 -18.790 -6.562 -7.190 1.00 3.89 O ATOM 680 OD2 ASP A 44 -20.265 -4.976 -6.815 1.00 4.39 O ATOM 0 H ASP A 44 -15.946 -3.829 -5.056 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.510 -6.026 -6.638 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.032 -4.599 -5.117 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.202 -3.505 -6.475 1.00 2.85 H new ATOM 685 N LYS A 45 -15.767 -3.408 -8.385 1.00 2.69 N ATOM 686 CA LYS A 45 -15.551 -2.909 -9.738 1.00 2.92 C ATOM 687 C LYS A 45 -14.314 -3.541 -10.374 1.00 3.03 C ATOM 688 O LYS A 45 -14.377 -4.055 -11.491 1.00 3.65 O ATOM 689 CB LYS A 45 -15.422 -1.382 -9.728 1.00 2.89 C ATOM 690 CG LYS A 45 -14.083 -0.878 -9.211 1.00 2.98 C ATOM 691 CD LYS A 45 -14.049 0.639 -9.134 1.00 3.17 C ATOM 692 CE LYS A 45 -14.217 1.125 -7.704 1.00 3.22 C ATOM 693 NZ LYS A 45 -15.570 0.810 -7.168 1.00 3.62 N ATOM 0 H LYS A 45 -15.356 -2.832 -7.650 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.416 -3.188 -10.339 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.573 -1.008 -10.741 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -16.218 -0.964 -9.112 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -13.892 -1.297 -8.223 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -13.285 -1.228 -9.865 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -13.104 1.004 -9.535 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -14.841 1.054 -9.757 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -13.459 0.663 -7.072 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -14.052 2.202 -7.664 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -15.844 1.531 -6.471 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -16.259 0.802 -7.947 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -15.554 -0.124 -6.711 1.00 3.62 H new ATOM 707 N ALA A 46 -13.189 -3.497 -9.665 1.00 2.58 N ATOM 708 CA ALA A 46 -11.946 -4.063 -10.176 1.00 2.82 C ATOM 709 C ALA A 46 -11.054 -4.568 -9.046 1.00 2.68 C ATOM 710 O ALA A 46 -11.230 -4.195 -7.886 1.00 2.63 O ATOM 711 CB ALA A 46 -11.206 -3.030 -11.011 1.00 2.83 C ATOM 0 H ALA A 46 -13.113 -3.077 -8.739 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.200 -4.917 -10.804 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.279 -3.463 -11.388 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.831 -2.725 -11.850 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -10.976 -2.161 -10.395 1.00 2.83 H new ATOM 717 N SER A 47 -10.086 -5.410 -9.398 1.00 2.96 N ATOM 718 CA SER A 47 -9.152 -5.959 -8.422 1.00 2.92 C ATOM 719 C SER A 47 -7.783 -5.304 -8.571 1.00 2.26 C ATOM 720 O SER A 47 -7.141 -5.420 -9.614 1.00 2.31 O ATOM 721 CB SER A 47 -9.026 -7.474 -8.596 1.00 3.72 C ATOM 722 OG SER A 47 -10.301 -8.082 -8.715 1.00 4.52 O ATOM 0 H SER A 47 -9.929 -5.727 -10.355 1.00 2.96 H new ATOM 0 HA SER A 47 -9.537 -5.750 -7.424 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.431 -7.693 -9.483 1.00 3.72 H new ATOM 0 HB3 SER A 47 -8.496 -7.898 -7.743 1.00 3.72 H new ATOM 0 HG SER A 47 -10.193 -9.050 -8.827 1.00 4.52 H new ATOM 728 N VAL A 48 -7.344 -4.606 -7.528 1.00 2.12 N ATOM 729 CA VAL A 48 -6.055 -3.926 -7.557 1.00 1.80 C ATOM 730 C VAL A 48 -5.040 -4.596 -6.638 1.00 1.55 C ATOM 731 O VAL A 48 -5.340 -4.921 -5.489 1.00 1.97 O ATOM 732 CB VAL A 48 -6.190 -2.447 -7.150 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.931 -1.676 -7.515 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.414 -1.822 -7.802 1.00 3.50 C ATOM 0 H VAL A 48 -7.861 -4.497 -6.655 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.700 -3.989 -8.586 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.319 -2.398 -6.069 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.045 -0.633 -7.220 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.076 -2.109 -6.996 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -4.769 -1.733 -8.591 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.492 -0.777 -7.502 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.319 -1.882 -8.886 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.309 -2.358 -7.485 1.00 3.50 H new ATOM 744 N THR A 49 -3.832 -4.786 -7.156 1.00 1.13 N ATOM 745 CA THR A 49 -2.754 -5.401 -6.394 1.00 0.98 C ATOM 746 C THR A 49 -1.531 -4.491 -6.386 1.00 0.69 C ATOM 747 O THR A 49 -1.086 -4.031 -7.438 1.00 0.71 O ATOM 748 CB THR A 49 -2.366 -6.773 -6.976 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.931 -6.627 -8.333 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.545 -7.735 -6.916 1.00 1.46 C ATOM 0 H THR A 49 -3.575 -4.521 -8.107 1.00 1.13 H new ATOM 0 HA THR A 49 -3.111 -5.547 -5.375 1.00 0.98 H new ATOM 0 HB THR A 49 -1.551 -7.180 -6.378 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.557 -5.731 -8.462 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.250 -8.698 -7.332 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.855 -7.867 -5.879 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.375 -7.329 -7.494 1.00 1.46 H new ATOM 758 N ILE A 50 -0.998 -4.218 -5.200 1.00 0.66 N ATOM 759 CA ILE A 50 0.161 -3.344 -5.080 1.00 0.49 C ATOM 760 C ILE A 50 1.454 -4.132 -4.924 1.00 0.37 C ATOM 761 O ILE A 50 1.739 -4.690 -3.861 1.00 0.36 O ATOM 762 CB ILE A 50 0.020 -2.377 -3.889 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.361 -1.718 -3.906 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.121 -1.326 -3.924 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.574 -0.794 -5.085 1.00 1.01 C ATOM 0 H ILE A 50 -1.347 -4.586 -4.315 1.00 0.66 H new ATOM 0 HA ILE A 50 0.205 -2.772 -6.007 1.00 0.49 H new ATOM 0 HB ILE A 50 0.121 -2.943 -2.963 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -2.125 -2.495 -3.921 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.497 -1.154 -2.983 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.007 -0.651 -3.076 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.093 -1.816 -3.870 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.052 -0.758 -4.852 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.573 -0.362 -5.033 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.832 0.004 -5.060 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.470 -1.357 -6.012 1.00 1.01 H new ATOM 777 N THR A 51 2.244 -4.151 -5.990 1.00 0.41 N ATOM 778 CA THR A 51 3.521 -4.843 -5.982 1.00 0.44 C ATOM 779 C THR A 51 4.615 -3.908 -5.491 1.00 0.40 C ATOM 780 O THR A 51 4.349 -2.756 -5.149 1.00 0.50 O ATOM 781 CB THR A 51 3.893 -5.367 -7.382 1.00 0.56 C ATOM 782 OG1 THR A 51 3.016 -4.804 -8.364 1.00 0.79 O ATOM 783 CG2 THR A 51 3.809 -6.885 -7.432 1.00 1.04 C ATOM 0 H THR A 51 2.019 -3.692 -6.873 1.00 0.41 H new ATOM 0 HA THR A 51 3.428 -5.696 -5.310 1.00 0.44 H new ATOM 0 HB THR A 51 4.919 -5.068 -7.597 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.260 -5.140 -9.252 1.00 0.79 H new ATOM 0 HG21 THR A 51 4.076 -7.231 -8.430 1.00 1.04 H new ATOM 0 HG22 THR A 51 4.498 -7.312 -6.703 1.00 1.04 H new ATOM 0 HG23 THR A 51 2.792 -7.201 -7.198 1.00 1.04 H new ATOM 791 N SER A 52 5.842 -4.401 -5.452 1.00 0.49 N ATOM 792 CA SER A 52 6.962 -3.593 -4.996 1.00 0.56 C ATOM 793 C SER A 52 7.802 -3.107 -6.172 1.00 0.56 C ATOM 794 O SER A 52 8.166 -1.935 -6.237 1.00 0.66 O ATOM 795 CB SER A 52 7.833 -4.392 -4.026 1.00 0.63 C ATOM 796 OG SER A 52 8.468 -3.538 -3.091 1.00 1.36 O ATOM 0 H SER A 52 6.088 -5.352 -5.729 1.00 0.49 H new ATOM 0 HA SER A 52 6.560 -2.722 -4.479 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.220 -5.122 -3.498 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.585 -4.950 -4.583 1.00 0.63 H new ATOM 0 HG SER A 52 9.435 -3.541 -3.250 1.00 1.36 H new ATOM 802 N ARG A 53 8.121 -4.025 -7.084 1.00 0.54 N ATOM 803 CA ARG A 53 8.941 -3.711 -8.256 1.00 0.63 C ATOM 804 C ARG A 53 10.369 -3.317 -7.850 1.00 0.58 C ATOM 805 O ARG A 53 11.154 -2.853 -8.678 1.00 0.68 O ATOM 806 CB ARG A 53 8.271 -2.608 -9.105 1.00 0.83 C ATOM 807 CG ARG A 53 8.639 -1.171 -8.737 1.00 1.39 C ATOM 808 CD ARG A 53 9.283 -0.448 -9.908 1.00 2.19 C ATOM 809 NE ARG A 53 8.289 0.164 -10.786 1.00 2.73 N ATOM 810 CZ ARG A 53 8.518 0.470 -12.059 1.00 3.54 C ATOM 811 NH1 ARG A 53 9.705 0.230 -12.600 1.00 4.04 N ATOM 812 NH2 ARG A 53 7.561 1.021 -12.793 1.00 4.23 N ATOM 0 H ARG A 53 7.822 -4.999 -7.034 1.00 0.54 H new ATOM 0 HA ARG A 53 9.017 -4.610 -8.868 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.530 -2.773 -10.151 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.190 -2.719 -9.023 1.00 0.83 H new ATOM 0 HG2 ARG A 53 7.744 -0.633 -8.423 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.323 -1.175 -7.889 1.00 1.39 H new ATOM 0 HD2 ARG A 53 9.958 0.321 -9.532 1.00 2.19 H new ATOM 0 HD3 ARG A 53 9.888 -1.151 -10.480 1.00 2.19 H new ATOM 0 HE ARG A 53 7.367 0.368 -10.400 1.00 2.73 H new ATOM 0 HH11 ARG A 53 10.446 -0.191 -12.039 1.00 4.04 H new ATOM 0 HH12 ARG A 53 9.877 0.466 -13.577 1.00 4.04 H new ATOM 0 HH21 ARG A 53 6.647 1.211 -12.381 1.00 4.23 H new ATOM 0 HH22 ARG A 53 7.738 1.255 -13.770 1.00 4.23 H new ATOM 826 N TYR A 54 10.693 -3.507 -6.571 1.00 0.45 N ATOM 827 CA TYR A 54 12.005 -3.183 -6.038 1.00 0.41 C ATOM 828 C TYR A 54 12.058 -3.579 -4.569 1.00 0.31 C ATOM 829 O TYR A 54 11.033 -3.928 -3.983 1.00 0.28 O ATOM 830 CB TYR A 54 12.301 -1.690 -6.199 1.00 0.50 C ATOM 831 CG TYR A 54 13.515 -1.408 -7.055 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.606 -2.267 -7.047 1.00 1.77 C ATOM 833 CD2 TYR A 54 13.571 -0.285 -7.873 1.00 1.89 C ATOM 834 CE1 TYR A 54 15.717 -2.018 -7.829 1.00 2.59 C ATOM 835 CE2 TYR A 54 14.679 -0.029 -8.658 1.00 2.72 C ATOM 836 CZ TYR A 54 15.749 -0.898 -8.632 1.00 2.95 C ATOM 837 OH TYR A 54 16.854 -0.647 -9.413 1.00 3.88 O ATOM 0 H TYR A 54 10.049 -3.890 -5.879 1.00 0.45 H new ATOM 0 HA TYR A 54 12.763 -3.736 -6.592 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.433 -1.200 -6.640 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.450 -1.248 -5.214 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.585 -3.145 -6.418 1.00 1.77 H new ATOM 0 HD2 TYR A 54 12.735 0.398 -7.895 1.00 1.89 H new ATOM 0 HE1 TYR A 54 16.556 -2.697 -7.811 1.00 2.59 H new ATOM 0 HE2 TYR A 54 14.707 0.847 -9.289 1.00 2.72 H new ATOM 0 HH TYR A 54 16.716 0.181 -9.919 1.00 3.88 H new ATOM 847 N ASP A 55 13.235 -3.520 -3.966 1.00 0.30 N ATOM 848 CA ASP A 55 13.363 -3.874 -2.560 1.00 0.24 C ATOM 849 C ASP A 55 13.368 -2.619 -1.697 1.00 0.23 C ATOM 850 O ASP A 55 14.210 -1.737 -1.868 1.00 0.28 O ATOM 851 CB ASP A 55 14.627 -4.695 -2.308 1.00 0.28 C ATOM 852 CG ASP A 55 14.973 -5.611 -3.467 1.00 1.01 C ATOM 853 OD1 ASP A 55 14.109 -6.423 -3.860 1.00 1.52 O ATOM 854 OD2 ASP A 55 16.107 -5.516 -3.981 1.00 1.33 O ATOM 0 H ASP A 55 14.103 -3.235 -4.419 1.00 0.30 H new ATOM 0 HA ASP A 55 12.504 -4.487 -2.289 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.462 -4.020 -2.122 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.493 -5.292 -1.406 1.00 0.28 H new ATOM 859 N GLY A 56 12.411 -2.539 -0.778 1.00 0.18 N ATOM 860 CA GLY A 56 12.310 -1.380 0.088 1.00 0.18 C ATOM 861 C GLY A 56 12.020 -1.743 1.527 1.00 0.15 C ATOM 862 O GLY A 56 11.637 -2.869 1.823 1.00 0.15 O ATOM 0 H GLY A 56 11.704 -3.256 -0.618 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.242 -0.816 0.042 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.522 -0.724 -0.282 1.00 0.18 H new ATOM 866 N VAL A 57 12.216 -0.791 2.429 1.00 0.18 N ATOM 867 CA VAL A 57 11.982 -1.035 3.849 1.00 0.21 C ATOM 868 C VAL A 57 10.674 -0.411 4.332 1.00 0.22 C ATOM 869 O VAL A 57 10.482 0.800 4.236 1.00 0.26 O ATOM 870 CB VAL A 57 13.141 -0.491 4.704 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.985 -0.924 6.154 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.478 -0.951 4.142 1.00 1.11 C ATOM 0 H VAL A 57 12.534 0.152 2.207 1.00 0.18 H new ATOM 0 HA VAL A 57 11.916 -2.117 3.967 1.00 0.21 H new ATOM 0 HB VAL A 57 13.114 0.598 4.671 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.814 -0.530 6.743 1.00 1.06 H new ATOM 0 HG12 VAL A 57 12.044 -0.540 6.549 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.985 -2.013 6.211 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.286 -0.558 4.758 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.518 -2.040 4.143 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.589 -0.585 3.121 1.00 1.11 H new ATOM 882 N ILE A 58 9.790 -1.248 4.875 1.00 0.21 N ATOM 883 CA ILE A 58 8.506 -0.787 5.401 1.00 0.24 C ATOM 884 C ILE A 58 8.608 -0.629 6.911 1.00 0.33 C ATOM 885 O ILE A 58 9.026 -1.555 7.615 1.00 0.38 O ATOM 886 CB ILE A 58 7.368 -1.766 5.050 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.492 -2.189 3.590 1.00 0.20 C ATOM 888 CG2 ILE A 58 6.005 -1.134 5.301 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.613 -3.362 3.223 1.00 0.17 C ATOM 0 H ILE A 58 9.941 -2.253 4.962 1.00 0.21 H new ATOM 0 HA ILE A 58 8.271 0.173 4.942 1.00 0.24 H new ATOM 0 HB ILE A 58 7.454 -2.643 5.691 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.238 -1.342 2.952 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.531 -2.445 3.382 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.221 -1.847 5.045 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.918 -0.862 6.353 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.899 -0.241 4.685 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.754 -3.607 2.170 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.881 -4.223 3.835 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.569 -3.103 3.399 1.00 0.17 H new ATOM 901 N LYS A 59 8.277 0.565 7.399 1.00 0.40 N ATOM 902 CA LYS A 59 8.398 0.864 8.823 1.00 0.53 C ATOM 903 C LYS A 59 7.087 0.736 9.599 1.00 0.52 C ATOM 904 O LYS A 59 7.097 0.268 10.736 1.00 0.61 O ATOM 905 CB LYS A 59 8.958 2.274 9.004 1.00 0.65 C ATOM 906 CG LYS A 59 9.459 2.555 10.410 1.00 0.83 C ATOM 907 CD LYS A 59 9.405 4.039 10.731 1.00 1.03 C ATOM 908 CE LYS A 59 10.185 4.364 11.995 1.00 1.51 C ATOM 909 NZ LYS A 59 9.510 5.411 12.811 1.00 2.14 N ATOM 0 H LYS A 59 7.925 1.337 6.832 1.00 0.40 H new ATOM 0 HA LYS A 59 9.075 0.116 9.235 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.776 2.424 8.299 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.183 2.998 8.752 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.855 2.003 11.130 1.00 0.83 H new ATOM 0 HG3 LYS A 59 10.483 2.196 10.512 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.811 4.608 9.895 1.00 1.03 H new ATOM 0 HD3 LYS A 59 8.367 4.349 10.853 1.00 1.03 H new ATOM 0 HE2 LYS A 59 10.303 3.459 12.591 1.00 1.51 H new ATOM 0 HE3 LYS A 59 11.186 4.702 11.727 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 10.074 5.604 13.664 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 9.420 6.283 12.251 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 8.564 5.079 13.089 1.00 2.14 H new ATOM 923 N LYS A 60 5.969 1.166 9.025 1.00 0.44 N ATOM 924 CA LYS A 60 4.704 1.086 9.752 1.00 0.45 C ATOM 925 C LYS A 60 3.498 0.884 8.840 1.00 0.37 C ATOM 926 O LYS A 60 3.387 1.496 7.780 1.00 0.53 O ATOM 927 CB LYS A 60 4.506 2.349 10.594 1.00 0.55 C ATOM 928 CG LYS A 60 4.112 3.571 9.780 1.00 0.76 C ATOM 929 CD LYS A 60 5.197 3.954 8.788 1.00 0.51 C ATOM 930 CE LYS A 60 5.449 5.452 8.795 1.00 0.71 C ATOM 931 NZ LYS A 60 5.912 5.932 10.126 1.00 1.35 N ATOM 0 H LYS A 60 5.909 1.562 8.087 1.00 0.44 H new ATOM 0 HA LYS A 60 4.768 0.207 10.393 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.737 2.159 11.343 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.429 2.564 11.132 1.00 0.55 H new ATOM 0 HG2 LYS A 60 3.184 3.369 9.245 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.918 4.409 10.450 1.00 0.76 H new ATOM 0 HD2 LYS A 60 6.119 3.427 9.033 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.905 3.637 7.787 1.00 0.51 H new ATOM 0 HE2 LYS A 60 6.196 5.698 8.041 1.00 0.71 H new ATOM 0 HE3 LYS A 60 4.534 5.975 8.519 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 5.177 6.531 10.554 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 6.098 5.116 10.744 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 6.785 6.485 10.011 1.00 1.35 H new ATOM 945 N LEU A 61 2.585 0.034 9.299 1.00 0.35 N ATOM 946 CA LEU A 61 1.353 -0.261 8.582 1.00 0.37 C ATOM 947 C LEU A 61 0.191 -0.310 9.573 1.00 0.56 C ATOM 948 O LEU A 61 0.320 -0.880 10.656 1.00 0.94 O ATOM 949 CB LEU A 61 1.476 -1.584 7.827 1.00 0.39 C ATOM 950 CG LEU A 61 2.665 -1.666 6.867 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.854 -2.319 7.548 1.00 1.14 C ATOM 952 CD2 LEU A 61 2.281 -2.430 5.611 1.00 0.91 C ATOM 0 H LEU A 61 2.680 -0.470 10.181 1.00 0.35 H new ATOM 0 HA LEU A 61 1.165 0.525 7.850 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.556 -2.394 8.552 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.559 -1.751 7.262 1.00 0.39 H new ATOM 0 HG LEU A 61 2.949 -0.653 6.580 1.00 0.33 H new ATOM 0 HD11 LEU A 61 4.690 -2.369 6.851 1.00 1.14 H new ATOM 0 HD12 LEU A 61 4.143 -1.731 8.419 1.00 1.14 H new ATOM 0 HD13 LEU A 61 3.584 -3.327 7.864 1.00 1.14 H new ATOM 0 HD21 LEU A 61 3.138 -2.479 4.939 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.972 -3.440 5.880 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.457 -1.919 5.112 1.00 0.91 H new ATOM 964 N TYR A 62 -0.930 0.317 9.223 1.00 0.68 N ATOM 965 CA TYR A 62 -2.082 0.360 10.123 1.00 0.88 C ATOM 966 C TYR A 62 -3.267 -0.461 9.613 1.00 0.75 C ATOM 967 O TYR A 62 -3.969 -1.095 10.401 1.00 0.87 O ATOM 968 CB TYR A 62 -2.514 1.812 10.335 1.00 1.16 C ATOM 969 CG TYR A 62 -3.505 1.998 11.463 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.861 1.767 11.267 1.00 1.55 C ATOM 971 CD2 TYR A 62 -3.084 2.409 12.722 1.00 1.81 C ATOM 972 CE1 TYR A 62 -5.769 1.941 12.294 1.00 2.07 C ATOM 973 CE2 TYR A 62 -3.986 2.585 13.754 1.00 2.35 C ATOM 974 CZ TYR A 62 -5.328 2.350 13.535 1.00 2.38 C ATOM 975 OH TYR A 62 -6.230 2.526 14.559 1.00 3.08 O ATOM 0 H TYR A 62 -1.066 0.797 8.333 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.768 -0.086 11.067 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.631 2.418 10.537 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -2.954 2.188 9.412 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -5.211 1.446 10.297 1.00 1.55 H new ATOM 0 HD2 TYR A 62 -2.034 2.594 12.897 1.00 1.81 H new ATOM 0 HE1 TYR A 62 -6.820 1.757 12.125 1.00 2.07 H new ATOM 0 HE2 TYR A 62 -3.642 2.905 14.727 1.00 2.35 H new ATOM 0 HH TYR A 62 -5.756 2.815 15.367 1.00 3.08 H new ATOM 985 N TYR A 63 -3.503 -0.436 8.307 1.00 0.64 N ATOM 986 CA TYR A 63 -4.627 -1.170 7.728 1.00 0.62 C ATOM 987 C TYR A 63 -4.253 -2.614 7.402 1.00 0.63 C ATOM 988 O TYR A 63 -3.197 -2.883 6.829 1.00 0.73 O ATOM 989 CB TYR A 63 -5.139 -0.459 6.472 1.00 0.79 C ATOM 990 CG TYR A 63 -5.569 0.974 6.718 1.00 1.02 C ATOM 991 CD1 TYR A 63 -4.629 1.972 6.948 1.00 1.28 C ATOM 992 CD2 TYR A 63 -6.913 1.329 6.720 1.00 1.16 C ATOM 993 CE1 TYR A 63 -5.015 3.279 7.173 1.00 1.56 C ATOM 994 CE2 TYR A 63 -7.305 2.637 6.945 1.00 1.45 C ATOM 995 CZ TYR A 63 -6.353 3.606 7.171 1.00 1.60 C ATOM 996 OH TYR A 63 -6.740 4.907 7.394 1.00 1.93 O ATOM 0 H TYR A 63 -2.938 0.079 7.632 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.422 -1.194 8.474 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.356 -0.469 5.714 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -5.982 -1.018 6.067 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -3.579 1.721 6.951 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -7.663 0.572 6.543 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -4.271 4.041 7.350 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -8.353 2.897 6.943 1.00 1.45 H new ATOM 0 HH TYR A 63 -7.717 4.968 7.358 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.134 -3.538 7.780 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.919 -4.960 7.542 1.00 0.67 C ATOM 1008 C ASN A 64 -5.959 -5.523 6.580 1.00 0.49 C ATOM 1009 O ASN A 64 -6.760 -4.788 6.002 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.993 -5.734 8.858 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.901 -5.336 9.831 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -2.829 -4.884 9.428 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -4.168 -5.502 11.121 1.00 1.03 N ATOM 0 H ASN A 64 -6.010 -3.323 8.256 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.929 -5.072 7.099 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.966 -5.565 9.320 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.919 -6.802 8.652 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -3.471 -5.251 11.822 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -5.070 -5.880 11.411 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.929 -6.839 6.423 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.845 -7.549 5.549 1.00 0.54 C ATOM 1022 C LEU A 65 -8.308 -7.231 5.863 1.00 0.66 C ATOM 1023 O LEU A 65 -9.180 -7.394 5.009 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.607 -9.049 5.703 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.332 -9.576 5.046 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.341 -10.040 6.103 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -5.657 -10.707 4.083 1.00 1.04 C ATOM 0 H LEU A 65 -5.264 -7.445 6.902 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.654 -7.227 4.525 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.575 -9.288 6.766 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.460 -9.581 5.282 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.875 -8.765 4.480 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.439 -10.412 5.617 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.084 -9.204 6.753 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -4.789 -10.837 6.697 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -4.737 -11.070 3.624 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.137 -11.521 4.626 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.330 -10.342 3.307 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.581 -6.809 7.094 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.952 -6.509 7.506 1.00 0.92 C ATOM 1041 C ASP A 66 -10.254 -5.011 7.489 1.00 0.87 C ATOM 1042 O ASP A 66 -11.410 -4.610 7.350 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.212 -7.067 8.907 1.00 1.12 C ATOM 1044 CG ASP A 66 -10.724 -8.494 8.879 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -10.756 -9.092 7.783 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -11.092 -9.014 9.953 1.00 2.30 O ATOM 0 H ASP A 66 -7.879 -6.667 7.820 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.614 -6.986 6.783 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.290 -7.027 9.487 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.938 -6.434 9.418 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.227 -4.186 7.651 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.419 -2.738 7.673 1.00 0.81 C ATOM 1053 C ASP A 67 -9.670 -2.168 6.279 1.00 0.69 C ATOM 1054 O ASP A 67 -9.202 -2.710 5.269 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.212 -2.044 8.302 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.826 -2.654 9.636 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -7.043 -3.628 9.639 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -8.306 -2.158 10.676 1.00 1.54 O ATOM 0 H ASP A 67 -8.260 -4.489 7.768 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.305 -2.546 8.278 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.365 -2.104 7.619 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.435 -0.986 8.440 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.408 -1.058 6.247 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.736 -0.369 5.004 1.00 0.78 C ATOM 1065 C ILE A 68 -9.968 0.933 4.908 1.00 0.99 C ATOM 1066 O ILE A 68 -9.789 1.633 5.903 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.239 -0.038 4.893 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.091 -1.031 5.687 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.658 -0.023 3.431 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.135 -2.403 5.063 1.00 1.10 C ATOM 0 H ILE A 68 -10.793 -0.614 7.081 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.463 -1.047 4.196 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.403 0.950 5.322 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.696 -1.111 6.700 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.106 -0.644 5.771 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.720 0.211 3.359 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.083 0.732 2.895 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.472 -1.002 2.989 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.755 -3.060 5.673 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.557 -2.333 4.061 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.125 -2.808 5.004 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.527 1.261 3.707 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.791 2.489 3.492 1.00 1.34 C ATOM 1084 C ALA A 69 -9.636 3.499 2.727 1.00 1.19 C ATOM 1085 O ALA A 69 -10.442 3.128 1.860 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.487 2.208 2.761 1.00 2.16 C ATOM 0 H ALA A 69 -9.666 0.695 2.870 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.551 2.920 4.464 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.947 3.142 2.608 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.876 1.529 3.355 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.702 1.751 1.795 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.436 4.772 3.059 1.00 1.18 N ATOM 1093 CA TYR A 70 -10.154 5.872 2.427 1.00 1.38 C ATOM 1094 C TYR A 70 -9.235 6.607 1.453 1.00 1.17 C ATOM 1095 O TYR A 70 -8.025 6.678 1.667 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.672 6.840 3.496 1.00 1.97 C ATOM 1097 CG TYR A 70 -11.824 7.710 3.041 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -11.639 8.695 2.080 1.00 3.17 C ATOM 1099 CD2 TYR A 70 -13.095 7.547 3.576 1.00 3.47 C ATOM 1100 CE1 TYR A 70 -12.687 9.493 1.665 1.00 4.07 C ATOM 1101 CE2 TYR A 70 -14.150 8.341 3.166 1.00 4.42 C ATOM 1102 CZ TYR A 70 -13.940 9.312 2.210 1.00 4.67 C ATOM 1103 OH TYR A 70 -14.987 10.106 1.799 1.00 5.65 O ATOM 0 H TYR A 70 -8.771 5.068 3.774 1.00 1.18 H new ATOM 0 HA TYR A 70 -11.002 5.470 1.873 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -10.987 6.266 4.367 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -9.852 7.482 3.817 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -10.659 8.840 1.650 1.00 3.17 H new ATOM 0 HD2 TYR A 70 -13.262 6.787 4.325 1.00 3.47 H new ATOM 0 HE1 TYR A 70 -12.526 10.255 0.917 1.00 4.07 H new ATOM 0 HE2 TYR A 70 -15.133 8.201 3.592 1.00 4.42 H new ATOM 0 HH TYR A 70 -15.801 9.849 2.280 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.809 7.143 0.383 1.00 1.69 N ATOM 1114 CA VAL A 71 -9.028 7.862 -0.619 1.00 2.02 C ATOM 1115 C VAL A 71 -8.712 9.286 -0.171 1.00 2.00 C ATOM 1116 O VAL A 71 -9.609 10.049 0.184 1.00 2.35 O ATOM 1117 CB VAL A 71 -9.765 7.918 -1.970 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -8.829 8.399 -3.068 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -10.351 6.558 -2.315 1.00 3.61 C ATOM 0 H VAL A 71 -10.809 7.095 0.186 1.00 1.69 H new ATOM 0 HA VAL A 71 -8.095 7.310 -0.738 1.00 2.02 H new ATOM 0 HB VAL A 71 -10.586 8.630 -1.887 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -9.367 8.432 -4.016 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -8.463 9.396 -2.823 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.986 7.714 -3.153 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.868 6.617 -3.273 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.549 5.822 -2.380 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -11.056 6.258 -1.540 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.431 9.644 -0.201 1.00 1.84 N ATOM 1130 CA GLY A 72 -7.030 10.983 0.195 1.00 1.87 C ATOM 1131 C GLY A 72 -6.043 11.000 1.350 1.00 1.57 C ATOM 1132 O GLY A 72 -5.715 12.067 1.870 1.00 1.63 O ATOM 0 H GLY A 72 -6.667 9.034 -0.491 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.585 11.489 -0.661 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.916 11.552 0.476 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.565 9.828 1.757 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.612 9.741 2.859 1.00 1.09 C ATOM 1138 C LYS A 73 -3.709 8.514 2.712 1.00 0.83 C ATOM 1139 O LYS A 73 -4.194 7.401 2.509 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.356 9.686 4.194 1.00 1.27 C ATOM 1141 CG LYS A 73 -5.086 10.882 5.093 1.00 1.59 C ATOM 1142 CD LYS A 73 -5.196 10.509 6.562 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.852 10.608 7.264 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.649 11.945 7.887 1.00 2.96 N ATOM 0 H LYS A 73 -5.820 8.931 1.344 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.983 10.631 2.834 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -6.427 9.622 4.001 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.072 8.775 4.721 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -4.090 11.274 4.890 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -5.795 11.678 4.864 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -5.913 11.167 7.053 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -5.581 9.493 6.653 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -3.785 9.836 8.031 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -3.053 10.416 6.548 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -2.721 11.972 8.356 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -3.688 12.680 7.152 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -4.397 12.118 8.589 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.379 8.701 2.812 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.410 7.604 2.687 1.00 0.64 C ATOM 1160 C PRO A 74 -1.793 6.379 3.510 1.00 0.53 C ATOM 1161 O PRO A 74 -2.662 6.447 4.380 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.119 8.226 3.212 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.250 9.666 2.867 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.707 9.994 3.051 1.00 0.91 C ATOM 0 HA PRO A 74 -1.341 7.234 1.664 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.014 8.081 4.287 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.759 7.781 2.743 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.375 10.282 3.513 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.068 9.854 1.842 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.910 10.374 4.052 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -2.040 10.757 2.347 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.145 5.256 3.217 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.421 4.005 3.915 1.00 0.49 C ATOM 1174 C LEU A 75 -0.174 3.474 4.617 1.00 0.46 C ATOM 1175 O LEU A 75 -0.217 3.126 5.797 1.00 0.62 O ATOM 1176 CB LEU A 75 -1.918 2.960 2.903 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.499 1.644 3.463 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -2.228 1.467 4.953 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -3.990 1.576 3.179 1.00 1.32 C ATOM 0 H LEU A 75 -0.424 5.187 2.499 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.183 4.195 4.671 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.683 3.429 2.284 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -1.087 2.707 2.245 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.992 0.823 2.956 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -2.659 0.525 5.292 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -1.152 1.458 5.129 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.679 2.292 5.505 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -4.394 0.645 3.577 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -4.490 2.420 3.654 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -4.157 1.614 2.103 1.00 1.32 H new ATOM 1191 N VAL A 76 0.929 3.401 3.882 1.00 0.32 N ATOM 1192 CA VAL A 76 2.181 2.894 4.442 1.00 0.29 C ATOM 1193 C VAL A 76 3.383 3.673 3.922 1.00 0.27 C ATOM 1194 O VAL A 76 3.308 4.302 2.874 1.00 0.35 O ATOM 1195 CB VAL A 76 2.371 1.400 4.110 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.302 1.177 2.607 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.690 0.883 4.672 1.00 0.47 C ATOM 0 H VAL A 76 0.985 3.684 2.904 1.00 0.32 H new ATOM 0 HA VAL A 76 2.117 3.021 5.523 1.00 0.29 H new ATOM 0 HB VAL A 76 1.562 0.840 4.579 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.438 0.118 2.390 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.330 1.502 2.235 1.00 0.37 H new ATOM 0 HG13 VAL A 76 3.088 1.752 2.117 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.802 -0.173 4.425 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.516 1.446 4.238 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.697 1.005 5.755 1.00 0.47 H new ATOM 1207 N ASP A 77 4.493 3.611 4.655 1.00 0.30 N ATOM 1208 CA ASP A 77 5.716 4.296 4.253 1.00 0.41 C ATOM 1209 C ASP A 77 6.838 3.286 4.037 1.00 0.38 C ATOM 1210 O ASP A 77 7.212 2.548 4.954 1.00 0.41 O ATOM 1211 CB ASP A 77 6.136 5.320 5.306 1.00 0.58 C ATOM 1212 CG ASP A 77 4.952 5.995 5.974 1.00 0.78 C ATOM 1213 OD1 ASP A 77 4.080 5.276 6.506 1.00 0.87 O ATOM 1214 OD2 ASP A 77 4.897 7.242 5.965 1.00 1.10 O ATOM 0 H ASP A 77 4.569 3.093 5.530 1.00 0.30 H new ATOM 0 HA ASP A 77 5.521 4.821 3.318 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.743 4.826 6.065 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.765 6.078 4.839 1.00 0.58 H new ATOM 1219 N ILE A 78 7.362 3.250 2.819 1.00 0.44 N ATOM 1220 CA ILE A 78 8.432 2.322 2.471 1.00 0.42 C ATOM 1221 C ILE A 78 9.553 3.039 1.737 1.00 0.41 C ATOM 1222 O ILE A 78 9.309 4.005 1.019 1.00 0.51 O ATOM 1223 CB ILE A 78 7.919 1.175 1.575 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.473 0.817 1.929 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.821 -0.042 1.704 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.452 1.650 1.188 1.00 0.86 C ATOM 0 H ILE A 78 7.063 3.854 2.053 1.00 0.44 H new ATOM 0 HA ILE A 78 8.805 1.908 3.408 1.00 0.42 H new ATOM 0 HB ILE A 78 7.941 1.511 0.538 1.00 0.42 H new ATOM 0 HG12 ILE A 78 6.302 -0.236 1.707 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.327 0.945 3.002 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.446 -0.842 1.066 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.833 0.221 1.398 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.831 -0.379 2.741 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.449 1.345 1.485 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.597 2.703 1.429 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.573 1.503 0.115 1.00 0.86 H new ATOM 1238 N GLU A 79 10.782 2.564 1.900 1.00 0.29 N ATOM 1239 CA GLU A 79 11.910 3.184 1.221 1.00 0.29 C ATOM 1240 C GLU A 79 12.275 2.393 -0.027 1.00 0.47 C ATOM 1241 O GLU A 79 12.731 1.255 0.060 1.00 0.79 O ATOM 1242 CB GLU A 79 13.117 3.270 2.157 1.00 0.62 C ATOM 1243 CG GLU A 79 13.578 4.693 2.420 1.00 0.92 C ATOM 1244 CD GLU A 79 14.457 4.805 3.650 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.951 3.760 4.124 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.652 5.938 4.140 1.00 1.09 O ATOM 0 H GLU A 79 11.020 1.764 2.487 1.00 0.29 H new ATOM 0 HA GLU A 79 11.622 4.194 0.928 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.866 2.796 3.106 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.942 2.703 1.726 1.00 0.62 H new ATOM 0 HG2 GLU A 79 14.126 5.059 1.552 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.707 5.336 2.541 1.00 0.92 H new ATOM 1253 N THR A 80 12.070 3.018 -1.182 1.00 0.64 N ATOM 1254 CA THR A 80 12.370 2.402 -2.469 1.00 1.05 C ATOM 1255 C THR A 80 12.914 3.438 -3.443 1.00 1.00 C ATOM 1256 O THR A 80 12.663 4.633 -3.288 1.00 1.22 O ATOM 1257 CB THR A 80 11.126 1.737 -3.089 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.951 2.481 -2.749 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.981 0.301 -2.608 1.00 1.18 C ATOM 0 H THR A 80 11.692 3.963 -1.252 1.00 0.64 H new ATOM 0 HA THR A 80 13.121 1.633 -2.286 1.00 1.05 H new ATOM 0 HB THR A 80 11.249 1.729 -4.172 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.463 2.015 -2.038 1.00 2.39 H new ATOM 0 HG21 THR A 80 10.096 -0.146 -3.060 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.863 -0.270 -2.896 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.880 0.289 -1.523 1.00 1.18 H new ATOM 1267 N GLU A 81 13.644 2.984 -4.454 1.00 1.27 N ATOM 1268 CA GLU A 81 14.196 3.895 -5.448 1.00 1.30 C ATOM 1269 C GLU A 81 13.073 4.703 -6.092 1.00 1.99 C ATOM 1270 O GLU A 81 11.923 4.264 -6.120 1.00 2.56 O ATOM 1271 CB GLU A 81 14.966 3.117 -6.517 1.00 1.53 C ATOM 1272 CG GLU A 81 16.402 3.584 -6.693 1.00 1.62 C ATOM 1273 CD GLU A 81 17.362 2.437 -6.944 1.00 2.40 C ATOM 1274 OE1 GLU A 81 16.907 1.274 -6.951 1.00 3.13 O ATOM 1275 OE2 GLU A 81 18.568 2.703 -7.132 1.00 2.85 O ATOM 0 H GLU A 81 13.866 2.000 -4.607 1.00 1.27 H new ATOM 0 HA GLU A 81 14.887 4.578 -4.953 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.966 2.059 -6.255 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.443 3.209 -7.469 1.00 1.53 H new ATOM 0 HG2 GLU A 81 16.453 4.284 -7.527 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.715 4.127 -5.801 1.00 1.62 H new ATOM 1282 N ALA A 82 13.408 5.893 -6.594 1.00 2.01 N ATOM 1283 CA ALA A 82 12.425 6.781 -7.226 1.00 2.67 C ATOM 1284 C ALA A 82 11.401 6.008 -8.058 1.00 3.02 C ATOM 1285 O ALA A 82 11.744 5.378 -9.058 1.00 3.10 O ATOM 1286 CB ALA A 82 13.133 7.814 -8.091 1.00 2.85 C ATOM 0 H ALA A 82 14.357 6.267 -6.576 1.00 2.01 H new ATOM 0 HA ALA A 82 11.881 7.286 -6.428 1.00 2.67 H new ATOM 0 HB1 ALA A 82 12.394 8.468 -8.555 1.00 2.85 H new ATOM 0 HB2 ALA A 82 13.805 8.408 -7.472 1.00 2.85 H new ATOM 0 HB3 ALA A 82 13.707 7.307 -8.867 1.00 2.85 H new ATOM 1292 N LEU A 83 10.141 6.061 -7.631 1.00 3.31 N ATOM 1293 CA LEU A 83 9.065 5.365 -8.330 1.00 3.73 C ATOM 1294 C LEU A 83 8.033 6.350 -8.876 1.00 4.31 C ATOM 1295 O LEU A 83 7.765 7.387 -8.270 1.00 4.31 O ATOM 1296 CB LEU A 83 8.388 4.358 -7.399 1.00 3.56 C ATOM 1297 CG LEU A 83 8.733 2.894 -7.679 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.208 2.635 -7.414 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.868 1.970 -6.835 1.00 3.60 C ATOM 0 H LEU A 83 9.841 6.579 -6.805 1.00 3.31 H new ATOM 0 HA LEU A 83 9.505 4.831 -9.172 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.665 4.592 -6.371 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.308 4.483 -7.475 1.00 3.56 H new ATOM 0 HG LEU A 83 8.530 2.687 -8.730 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.436 1.589 -7.618 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.811 3.271 -8.062 1.00 3.49 H new ATOM 0 HD13 LEU A 83 10.435 2.859 -6.372 1.00 3.49 H new ATOM 0 HD21 LEU A 83 8.128 0.933 -7.048 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.038 2.177 -5.778 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.817 2.137 -7.073 1.00 3.60 H new