USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 26 LYS NZ :NH3+ -159:sc= -0.432 (180deg=-0.879) USER MOD Set 1.2: A 72 GLN : amide:sc= -2.13 K(o=-2.6,f=-1.8) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 31 THR OG1 : rot -88:sc= 0.842 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.24) USER MOD Single : A 46 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 CYS SG : rot 72:sc= -0.516 USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.318 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= -0.0818 (180deg=-0.393) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -171:sc= -0.628 (180deg=-1) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.117 (180deg=-0.569) USER MOD Single : A 70 MET CE :methyl -169:sc= 0 (180deg=-0.242) USER MOD Single : A 71 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.2) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.555 K(o=0.55,f=-0.023) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= -3.26 K(o=-3.3,f=-7.4!) USER MOD Single : A 94 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -88:sc= -1.42 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 3.495 10.460 -6.718 1.00 0.00 N ATOM 127 CA PHE A 18 2.578 9.340 -6.886 1.00 0.00 C ATOM 128 C PHE A 18 3.236 8.209 -7.670 1.00 0.00 C ATOM 129 O PHE A 18 2.950 7.033 -7.445 1.00 0.00 O ATOM 130 CB PHE A 18 1.305 9.798 -7.601 1.00 0.00 C ATOM 131 CG PHE A 18 0.323 8.688 -7.848 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.196 7.957 -6.792 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.080 8.376 -9.136 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.100 6.936 -7.015 1.00 0.00 C ATOM 135 CE2 PHE A 18 -0.984 7.356 -9.365 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.494 6.634 -8.304 1.00 0.00 C ATOM 0 HA PHE A 18 2.316 8.967 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.823 10.573 -7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.576 10.251 -8.555 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.110 8.188 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.316 8.936 -9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.498 6.375 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.292 7.124 -10.374 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.199 5.835 -8.482 1.00 0.00 H new ATOM 146 N SER A 19 4.122 8.574 -8.592 1.00 0.00 N ATOM 147 CA SER A 19 4.819 7.592 -9.414 1.00 0.00 C ATOM 148 C SER A 19 5.618 6.625 -8.544 1.00 0.00 C ATOM 149 O SER A 19 5.632 5.419 -8.789 1.00 0.00 O ATOM 150 CB SER A 19 5.750 8.293 -10.405 1.00 0.00 C ATOM 151 OG SER A 19 5.074 9.332 -11.092 1.00 0.00 O ATOM 0 H SER A 19 4.374 9.543 -8.788 1.00 0.00 H new ATOM 0 HA SER A 19 4.073 7.023 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.609 8.703 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.135 7.568 -11.123 1.00 0.00 H new ATOM 0 HG SER A 19 5.691 9.766 -11.718 1.00 0.00 H new ATOM 157 N ASP A 20 6.283 7.165 -7.529 1.00 0.00 N ATOM 158 CA ASP A 20 7.084 6.352 -6.622 1.00 0.00 C ATOM 159 C ASP A 20 6.226 5.289 -5.943 1.00 0.00 C ATOM 160 O ASP A 20 6.598 4.116 -5.892 1.00 0.00 O ATOM 161 CB ASP A 20 7.752 7.235 -5.566 1.00 0.00 C ATOM 162 CG ASP A 20 8.912 6.540 -4.881 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.557 5.688 -5.525 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.175 6.850 -3.700 1.00 0.00 O ATOM 0 H ASP A 20 6.283 8.162 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 20 7.855 5.852 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.108 8.152 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.013 7.525 -4.819 1.00 0.00 H new ATOM 169 N VAL A 21 5.077 5.706 -5.423 1.00 0.00 N ATOM 170 CA VAL A 21 4.165 4.790 -4.749 1.00 0.00 C ATOM 171 C VAL A 21 3.727 3.665 -5.680 1.00 0.00 C ATOM 172 O VAL A 21 3.526 2.529 -5.249 1.00 0.00 O ATOM 173 CB VAL A 21 2.917 5.524 -4.225 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.011 4.564 -3.467 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.318 6.698 -3.346 1.00 0.00 C ATOM 0 H VAL A 21 4.755 6.673 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 21 4.709 4.367 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 21 2.361 5.913 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.134 5.101 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.695 3.760 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.554 4.143 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.423 7.205 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.897 6.336 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.922 7.397 -3.925 1.00 0.00 H new ATOM 185 N LYS A 22 3.581 3.988 -6.960 1.00 0.00 N ATOM 186 CA LYS A 22 3.168 3.005 -7.956 1.00 0.00 C ATOM 187 C LYS A 22 4.240 1.936 -8.142 1.00 0.00 C ATOM 188 O LYS A 22 3.960 0.739 -8.059 1.00 0.00 O ATOM 189 CB LYS A 22 2.881 3.692 -9.292 1.00 0.00 C ATOM 190 CG LYS A 22 1.516 4.354 -9.355 1.00 0.00 C ATOM 191 CD LYS A 22 1.078 4.596 -10.790 1.00 0.00 C ATOM 192 CE LYS A 22 1.933 5.660 -11.462 1.00 0.00 C ATOM 193 NZ LYS A 22 1.796 5.626 -12.945 1.00 0.00 N ATOM 0 H LYS A 22 3.743 4.923 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 22 2.258 2.524 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.649 4.443 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.956 2.956 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.782 3.725 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.546 5.302 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.144 3.665 -11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.033 4.905 -10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.645 6.644 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.978 5.511 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.394 6.366 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.095 4.695 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.803 5.793 -13.206 1.00 0.00 H new ATOM 207 N THR A 23 5.470 2.374 -8.392 1.00 0.00 N ATOM 208 CA THR A 23 6.584 1.456 -8.589 1.00 0.00 C ATOM 209 C THR A 23 6.794 0.575 -7.362 1.00 0.00 C ATOM 210 O THR A 23 7.008 -0.632 -7.480 1.00 0.00 O ATOM 211 CB THR A 23 7.889 2.213 -8.894 1.00 0.00 C ATOM 212 OG1 THR A 23 7.632 3.286 -9.805 1.00 0.00 O ATOM 213 CG2 THR A 23 8.933 1.276 -9.487 1.00 0.00 C ATOM 0 H THR A 23 5.720 3.360 -8.463 1.00 0.00 H new ATOM 0 HA THR A 23 6.329 0.829 -9.443 1.00 0.00 H new ATOM 0 HB THR A 23 8.276 2.617 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.467 3.763 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.846 1.834 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.149 0.476 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.552 0.846 -10.414 1.00 0.00 H new ATOM 221 N LEU A 24 6.733 1.187 -6.184 1.00 0.00 N ATOM 222 CA LEU A 24 6.916 0.458 -4.933 1.00 0.00 C ATOM 223 C LEU A 24 5.944 -0.712 -4.838 1.00 0.00 C ATOM 224 O LEU A 24 6.321 -1.817 -4.443 1.00 0.00 O ATOM 225 CB LEU A 24 6.722 1.396 -3.741 1.00 0.00 C ATOM 226 CG LEU A 24 7.226 0.881 -2.392 1.00 0.00 C ATOM 227 CD1 LEU A 24 7.511 2.040 -1.450 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.214 -0.075 -1.776 1.00 0.00 C ATOM 0 H LEU A 24 6.558 2.185 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 24 7.932 0.064 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.226 2.337 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.659 1.618 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 24 8.157 0.338 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.869 1.654 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.272 2.686 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.597 2.612 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.588 -0.432 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.268 0.444 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.061 -0.923 -2.444 1.00 0.00 H new ATOM 240 N LEU A 25 4.690 -0.465 -5.203 1.00 0.00 N ATOM 241 CA LEU A 25 3.663 -1.500 -5.161 1.00 0.00 C ATOM 242 C LEU A 25 3.872 -2.522 -6.274 1.00 0.00 C ATOM 243 O LEU A 25 3.868 -3.729 -6.032 1.00 0.00 O ATOM 244 CB LEU A 25 2.273 -0.872 -5.284 1.00 0.00 C ATOM 245 CG LEU A 25 1.637 -0.389 -3.981 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.628 0.715 -4.255 1.00 0.00 C ATOM 247 CD2 LEU A 25 0.976 -1.547 -3.247 1.00 0.00 C ATOM 0 H LEU A 25 4.360 0.443 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 25 3.740 -2.014 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.338 -0.026 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.606 -1.602 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 25 2.424 0.016 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.186 1.046 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.129 1.555 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.156 0.337 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.529 -1.184 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.201 -1.983 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.724 -2.305 -3.015 1.00 0.00 H new ATOM 259 N LYS A 26 4.058 -2.029 -7.494 1.00 0.00 N ATOM 260 CA LYS A 26 4.272 -2.897 -8.646 1.00 0.00 C ATOM 261 C LYS A 26 5.397 -3.892 -8.375 1.00 0.00 C ATOM 262 O LYS A 26 5.284 -5.073 -8.699 1.00 0.00 O ATOM 263 CB LYS A 26 4.602 -2.063 -9.885 1.00 0.00 C ATOM 264 CG LYS A 26 4.880 -2.897 -11.124 1.00 0.00 C ATOM 265 CD LYS A 26 3.600 -3.472 -11.707 1.00 0.00 C ATOM 266 CE LYS A 26 3.249 -4.809 -11.073 1.00 0.00 C ATOM 267 NZ LYS A 26 2.609 -5.735 -12.048 1.00 0.00 N ATOM 0 H LYS A 26 4.065 -1.032 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 26 3.353 -3.454 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.771 -1.388 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.472 -1.441 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.378 -2.282 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.563 -3.708 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.781 -2.769 -11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.714 -3.598 -12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.153 -5.270 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.576 -4.646 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.074 -6.464 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.963 -5.200 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.343 -6.189 -12.629 1.00 0.00 H new ATOM 281 N GLU A 27 6.480 -3.405 -7.777 1.00 0.00 N ATOM 282 CA GLU A 27 7.625 -4.251 -7.462 1.00 0.00 C ATOM 283 C GLU A 27 7.330 -5.138 -6.255 1.00 0.00 C ATOM 284 O GLU A 27 7.702 -6.311 -6.229 1.00 0.00 O ATOM 285 CB GLU A 27 8.862 -3.395 -7.191 1.00 0.00 C ATOM 286 CG GLU A 27 9.535 -2.880 -8.451 1.00 0.00 C ATOM 287 CD GLU A 27 10.793 -2.085 -8.158 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.673 -0.952 -7.646 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.897 -2.596 -8.441 1.00 0.00 O ATOM 0 H GLU A 27 6.588 -2.429 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 27 7.819 -4.891 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.577 -2.546 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.581 -3.982 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.784 -3.723 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.834 -2.253 -9.003 1.00 0.00 H new ATOM 296 N TRP A 28 6.662 -4.567 -5.260 1.00 0.00 N ATOM 297 CA TRP A 28 6.318 -5.304 -4.049 1.00 0.00 C ATOM 298 C TRP A 28 5.339 -6.432 -4.358 1.00 0.00 C ATOM 299 O TRP A 28 5.183 -7.364 -3.568 1.00 0.00 O ATOM 300 CB TRP A 28 5.715 -4.361 -3.007 1.00 0.00 C ATOM 301 CG TRP A 28 5.196 -5.070 -1.793 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.893 -5.918 -0.979 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.871 -4.995 -1.256 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.080 -6.374 0.031 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.835 -5.823 -0.117 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.712 -4.309 -1.628 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.686 -5.980 0.652 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.571 -4.467 -0.863 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.565 -5.297 0.265 1.00 0.00 C ATOM 0 H TRP A 28 6.348 -3.597 -5.267 1.00 0.00 H new ATOM 0 HA TRP A 28 7.232 -5.741 -3.648 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.471 -3.638 -2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.902 -3.797 -3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.930 -6.190 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.359 -7.018 0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.707 -3.667 -2.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.679 -6.618 1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.669 -3.941 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.657 -5.400 0.841 1.00 0.00 H new ATOM 320 N ILE A 29 4.684 -6.343 -5.510 1.00 0.00 N ATOM 321 CA ILE A 29 3.722 -7.357 -5.922 1.00 0.00 C ATOM 322 C ILE A 29 4.364 -8.375 -6.859 1.00 0.00 C ATOM 323 O ILE A 29 3.942 -9.530 -6.924 1.00 0.00 O ATOM 324 CB ILE A 29 2.505 -6.727 -6.626 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.798 -5.746 -5.688 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.543 -7.809 -7.092 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.083 -4.626 -6.411 1.00 0.00 C ATOM 0 H ILE A 29 4.802 -5.579 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 29 3.387 -7.860 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 29 2.854 -6.178 -7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.078 -6.293 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.531 -5.317 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.689 -7.348 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.053 -8.473 -7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.197 -8.383 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.605 -3.970 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.802 -4.054 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.326 -5.046 -7.074 1.00 0.00 H new ATOM 339 N THR A 30 5.391 -7.940 -7.583 1.00 0.00 N ATOM 340 CA THR A 30 6.093 -8.813 -8.515 1.00 0.00 C ATOM 341 C THR A 30 7.266 -9.512 -7.837 1.00 0.00 C ATOM 342 O THR A 30 7.291 -10.737 -7.723 1.00 0.00 O ATOM 343 CB THR A 30 6.613 -8.030 -9.736 1.00 0.00 C ATOM 344 OG1 THR A 30 7.425 -6.933 -9.304 1.00 0.00 O ATOM 345 CG2 THR A 30 5.456 -7.510 -10.577 1.00 0.00 C ATOM 0 H THR A 30 5.755 -6.988 -7.541 1.00 0.00 H new ATOM 0 HA THR A 30 5.373 -9.560 -8.851 1.00 0.00 H new ATOM 0 HB THR A 30 7.211 -8.706 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.753 -6.441 -10.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.847 -6.960 -11.433 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.855 -8.349 -10.928 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.836 -6.847 -9.973 1.00 0.00 H new ATOM 353 N THR A 31 8.238 -8.724 -7.387 1.00 0.00 N ATOM 354 CA THR A 31 9.415 -9.267 -6.719 1.00 0.00 C ATOM 355 C THR A 31 9.019 -10.205 -5.585 1.00 0.00 C ATOM 356 O THR A 31 9.544 -11.314 -5.474 1.00 0.00 O ATOM 357 CB THR A 31 10.309 -8.146 -6.156 1.00 0.00 C ATOM 358 OG1 THR A 31 9.665 -7.521 -5.040 1.00 0.00 O ATOM 359 CG2 THR A 31 10.608 -7.104 -7.224 1.00 0.00 C ATOM 0 H THR A 31 8.233 -7.708 -7.473 1.00 0.00 H new ATOM 0 HA THR A 31 9.975 -9.825 -7.469 1.00 0.00 H new ATOM 0 HB THR A 31 11.250 -8.590 -5.831 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.093 -6.792 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.241 -6.323 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.123 -7.577 -8.060 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.674 -6.665 -7.575 1.00 0.00 H new ATOM 367 N ILE A 32 8.094 -9.754 -4.746 1.00 0.00 N ATOM 368 CA ILE A 32 7.627 -10.556 -3.621 1.00 0.00 C ATOM 369 C ILE A 32 6.424 -11.407 -4.014 1.00 0.00 C ATOM 370 O ILE A 32 5.544 -10.956 -4.747 1.00 0.00 O ATOM 371 CB ILE A 32 7.246 -9.671 -2.420 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.363 -8.669 -2.121 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.959 -10.532 -1.198 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.700 -9.321 -1.842 1.00 0.00 C ATOM 0 H ILE A 32 7.653 -8.838 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 32 8.452 -11.209 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 32 6.342 -9.115 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.468 -7.991 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.077 -8.063 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.691 -9.892 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.133 -11.210 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.847 -11.112 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.445 -8.551 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.611 -9.978 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.009 -9.904 -2.710 1.00 0.00 H new ATOM 386 N SER A 33 6.392 -12.640 -3.518 1.00 0.00 N ATOM 387 CA SER A 33 5.298 -13.556 -3.818 1.00 0.00 C ATOM 388 C SER A 33 4.528 -13.917 -2.550 1.00 0.00 C ATOM 389 O SER A 33 3.312 -14.103 -2.581 1.00 0.00 O ATOM 390 CB SER A 33 5.834 -14.825 -4.482 1.00 0.00 C ATOM 391 OG SER A 33 4.779 -15.602 -5.025 1.00 0.00 O ATOM 0 H SER A 33 7.111 -13.027 -2.907 1.00 0.00 H new ATOM 0 HA SER A 33 4.616 -13.056 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.536 -14.557 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.386 -15.416 -3.751 1.00 0.00 H new ATOM 0 HG SER A 33 5.148 -16.407 -5.445 1.00 0.00 H new ATOM 397 N ASP A 34 5.248 -14.015 -1.438 1.00 0.00 N ATOM 398 CA ASP A 34 4.635 -14.353 -0.159 1.00 0.00 C ATOM 399 C ASP A 34 4.709 -13.176 0.808 1.00 0.00 C ATOM 400 O ASP A 34 5.513 -13.156 1.741 1.00 0.00 O ATOM 401 CB ASP A 34 5.322 -15.575 0.453 1.00 0.00 C ATOM 402 CG ASP A 34 5.233 -16.797 -0.441 1.00 0.00 C ATOM 403 OD1 ASP A 34 4.113 -17.130 -0.882 1.00 0.00 O ATOM 404 OD2 ASP A 34 6.284 -17.419 -0.701 1.00 0.00 O ATOM 0 H ASP A 34 6.256 -13.865 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 34 3.586 -14.587 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.370 -15.342 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.866 -15.800 1.417 1.00 0.00 H new ATOM 409 N PRO A 35 3.853 -12.168 0.581 1.00 0.00 N ATOM 410 CA PRO A 35 3.803 -10.968 1.421 1.00 0.00 C ATOM 411 C PRO A 35 3.249 -11.257 2.812 1.00 0.00 C ATOM 412 O PRO A 35 2.140 -11.770 2.955 1.00 0.00 O ATOM 413 CB PRO A 35 2.862 -10.036 0.652 1.00 0.00 C ATOM 414 CG PRO A 35 2.002 -10.947 -0.153 1.00 0.00 C ATOM 415 CD PRO A 35 2.867 -12.124 -0.512 1.00 0.00 C ATOM 0 HA PRO A 35 4.794 -10.548 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.266 -9.427 1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.419 -9.350 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.129 -11.264 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.634 -10.446 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.288 -13.046 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.347 -11.989 -1.481 1.00 0.00 H new ATOM 423 N MET A 36 4.028 -10.922 3.835 1.00 0.00 N ATOM 424 CA MET A 36 3.614 -11.144 5.216 1.00 0.00 C ATOM 425 C MET A 36 2.913 -9.911 5.778 1.00 0.00 C ATOM 426 O MET A 36 2.847 -8.871 5.123 1.00 0.00 O ATOM 427 CB MET A 36 4.823 -11.499 6.083 1.00 0.00 C ATOM 428 CG MET A 36 5.188 -12.973 6.044 1.00 0.00 C ATOM 429 SD MET A 36 6.429 -13.415 7.275 1.00 0.00 S ATOM 430 CE MET A 36 7.002 -14.985 6.630 1.00 0.00 C ATOM 0 H MET A 36 4.949 -10.496 3.734 1.00 0.00 H new ATOM 0 HA MET A 36 2.911 -11.977 5.229 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.680 -10.912 5.754 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.617 -11.211 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.291 -13.570 6.208 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.561 -13.225 5.051 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.775 -15.387 7.285 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.168 -15.685 6.582 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.412 -14.840 5.631 1.00 0.00 H new ATOM 440 N GLU A 37 2.391 -10.036 6.994 1.00 0.00 N ATOM 441 CA GLU A 37 1.695 -8.930 7.643 1.00 0.00 C ATOM 442 C GLU A 37 2.643 -7.762 7.895 1.00 0.00 C ATOM 443 O GLU A 37 2.213 -6.618 8.029 1.00 0.00 O ATOM 444 CB GLU A 37 1.074 -9.393 8.963 1.00 0.00 C ATOM 445 CG GLU A 37 2.064 -10.074 9.894 1.00 0.00 C ATOM 446 CD GLU A 37 1.494 -10.309 11.279 1.00 0.00 C ATOM 447 OE1 GLU A 37 0.400 -10.904 11.376 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.141 -9.900 12.265 1.00 0.00 O ATOM 0 H GLU A 37 2.436 -10.890 7.549 1.00 0.00 H new ATOM 0 HA GLU A 37 0.902 -8.593 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.641 -8.532 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.256 -10.081 8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.366 -11.028 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.962 -9.462 9.974 1.00 0.00 H new ATOM 455 N GLU A 38 3.937 -8.062 7.959 1.00 0.00 N ATOM 456 CA GLU A 38 4.947 -7.037 8.197 1.00 0.00 C ATOM 457 C GLU A 38 4.972 -6.023 7.056 1.00 0.00 C ATOM 458 O GLU A 38 4.980 -4.814 7.287 1.00 0.00 O ATOM 459 CB GLU A 38 6.328 -7.677 8.355 1.00 0.00 C ATOM 460 CG GLU A 38 6.717 -8.580 7.197 1.00 0.00 C ATOM 461 CD GLU A 38 7.568 -9.756 7.634 1.00 0.00 C ATOM 462 OE1 GLU A 38 8.016 -9.765 8.799 1.00 0.00 O ATOM 463 OE2 GLU A 38 7.785 -10.669 6.810 1.00 0.00 O ATOM 0 H GLU A 38 4.310 -9.005 7.850 1.00 0.00 H new ATOM 0 HA GLU A 38 4.689 -6.516 9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.075 -6.889 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.347 -8.256 9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.814 -8.950 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.263 -7.998 6.455 1.00 0.00 H new ATOM 470 N ASP A 39 4.986 -6.525 5.827 1.00 0.00 N ATOM 471 CA ASP A 39 5.010 -5.665 4.650 1.00 0.00 C ATOM 472 C ASP A 39 3.617 -5.124 4.343 1.00 0.00 C ATOM 473 O ASP A 39 3.472 -4.030 3.796 1.00 0.00 O ATOM 474 CB ASP A 39 5.550 -6.432 3.441 1.00 0.00 C ATOM 475 CG ASP A 39 5.008 -7.846 3.364 1.00 0.00 C ATOM 476 OD1 ASP A 39 3.866 -8.017 2.887 1.00 0.00 O ATOM 477 OD2 ASP A 39 5.723 -8.780 3.780 1.00 0.00 O ATOM 0 H ASP A 39 4.981 -7.524 5.619 1.00 0.00 H new ATOM 0 HA ASP A 39 5.669 -4.823 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.290 -5.896 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.638 -6.465 3.492 1.00 0.00 H new ATOM 482 N ILE A 40 2.596 -5.897 4.698 1.00 0.00 N ATOM 483 CA ILE A 40 1.216 -5.495 4.461 1.00 0.00 C ATOM 484 C ILE A 40 0.790 -4.394 5.426 1.00 0.00 C ATOM 485 O ILE A 40 -0.039 -3.546 5.092 1.00 0.00 O ATOM 486 CB ILE A 40 0.250 -6.687 4.602 1.00 0.00 C ATOM 487 CG1 ILE A 40 0.580 -7.764 3.566 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.190 -6.222 4.450 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.198 -9.160 4.005 1.00 0.00 C ATOM 0 H ILE A 40 2.699 -6.805 5.151 1.00 0.00 H new ATOM 0 HA ILE A 40 1.169 -5.118 3.439 1.00 0.00 H new ATOM 0 HB ILE A 40 0.369 -7.117 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.065 -7.531 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.649 -7.738 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.861 -7.075 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.418 -5.487 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.325 -5.770 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.460 -9.872 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.733 -9.413 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.876 -9.203 4.189 1.00 0.00 H new ATOM 501 N LEU A 41 1.363 -4.412 6.625 1.00 0.00 N ATOM 502 CA LEU A 41 1.045 -3.413 7.640 1.00 0.00 C ATOM 503 C LEU A 41 1.712 -2.079 7.318 1.00 0.00 C ATOM 504 O LEU A 41 1.203 -1.018 7.678 1.00 0.00 O ATOM 505 CB LEU A 41 1.489 -3.900 9.019 1.00 0.00 C ATOM 506 CG LEU A 41 0.549 -4.881 9.720 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.183 -5.408 10.998 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.787 -4.217 10.020 1.00 0.00 C ATOM 0 H LEU A 41 2.050 -5.107 6.918 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.035 -3.266 7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.466 -4.373 8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.621 -3.031 9.664 1.00 0.00 H new ATOM 0 HG LEU A 41 0.372 -5.724 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.499 -6.105 11.483 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.114 -5.921 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.391 -4.576 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.444 -4.930 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.628 -3.355 10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.248 -3.890 9.088 1.00 0.00 H new ATOM 520 N GLN A 42 2.853 -2.142 6.639 1.00 0.00 N ATOM 521 CA GLN A 42 3.588 -0.939 6.269 1.00 0.00 C ATOM 522 C GLN A 42 2.821 -0.130 5.229 1.00 0.00 C ATOM 523 O GLN A 42 2.655 1.082 5.368 1.00 0.00 O ATOM 524 CB GLN A 42 4.971 -1.307 5.728 1.00 0.00 C ATOM 525 CG GLN A 42 5.971 -1.674 6.812 1.00 0.00 C ATOM 526 CD GLN A 42 6.179 -0.557 7.816 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.198 -0.789 9.026 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.336 0.664 7.319 1.00 0.00 N ATOM 0 H GLN A 42 3.288 -3.013 6.334 1.00 0.00 H new ATOM 0 HA GLN A 42 3.706 -0.327 7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.871 -2.146 5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.362 -0.467 5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.625 -2.566 7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.926 -1.925 6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.313 0.811 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.479 1.455 7.946 1.00 0.00 H new ATOM 537 N VAL A 43 2.354 -0.809 4.185 1.00 0.00 N ATOM 538 CA VAL A 43 1.603 -0.153 3.121 1.00 0.00 C ATOM 539 C VAL A 43 0.311 0.455 3.655 1.00 0.00 C ATOM 540 O VAL A 43 -0.143 1.495 3.176 1.00 0.00 O ATOM 541 CB VAL A 43 1.265 -1.137 1.985 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.529 -1.563 1.253 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.522 -2.346 2.532 1.00 0.00 C ATOM 0 H VAL A 43 2.483 -1.812 4.054 1.00 0.00 H new ATOM 0 HA VAL A 43 2.238 0.641 2.727 1.00 0.00 H new ATOM 0 HB VAL A 43 0.614 -0.632 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.270 -2.258 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.016 -0.686 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.208 -2.051 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.291 -3.031 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.146 -2.855 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.404 -2.020 3.006 1.00 0.00 H new ATOM 553 N VAL A 44 -0.279 -0.201 4.649 1.00 0.00 N ATOM 554 CA VAL A 44 -1.520 0.274 5.249 1.00 0.00 C ATOM 555 C VAL A 44 -1.276 1.512 6.106 1.00 0.00 C ATOM 556 O VAL A 44 -2.121 2.404 6.180 1.00 0.00 O ATOM 557 CB VAL A 44 -2.176 -0.815 6.117 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.423 -0.274 6.800 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.509 -2.038 5.276 1.00 0.00 C ATOM 0 H VAL A 44 0.083 -1.063 5.056 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.192 0.528 4.429 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.468 -1.115 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.873 -1.058 7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.153 0.569 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.138 0.055 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.972 -2.798 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.199 -1.756 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.595 -2.438 4.838 1.00 0.00 H new ATOM 569 N ARG A 45 -0.115 1.560 6.750 1.00 0.00 N ATOM 570 CA ARG A 45 0.241 2.689 7.603 1.00 0.00 C ATOM 571 C ARG A 45 0.436 3.955 6.774 1.00 0.00 C ATOM 572 O ARG A 45 0.133 5.059 7.228 1.00 0.00 O ATOM 573 CB ARG A 45 1.515 2.379 8.389 1.00 0.00 C ATOM 574 CG ARG A 45 2.088 3.584 9.118 1.00 0.00 C ATOM 575 CD ARG A 45 1.062 4.213 10.048 1.00 0.00 C ATOM 576 NE ARG A 45 0.642 3.293 11.101 1.00 0.00 N ATOM 577 CZ ARG A 45 -0.306 3.575 11.988 1.00 0.00 C ATOM 578 NH1 ARG A 45 -0.928 4.744 11.948 1.00 0.00 N ATOM 579 NH2 ARG A 45 -0.633 2.686 12.918 1.00 0.00 N ATOM 0 H ARG A 45 0.596 0.830 6.698 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.577 2.857 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.303 1.593 9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.268 1.987 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.963 3.281 9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.424 4.324 8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.484 5.111 10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.192 4.524 9.470 1.00 0.00 H new ATOM 0 HE ARG A 45 1.101 2.384 11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.679 5.430 11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.656 4.958 12.630 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.156 1.785 12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.361 2.904 13.598 1.00 0.00 H new ATOM 593 N TYR A 46 0.943 3.788 5.558 1.00 0.00 N ATOM 594 CA TYR A 46 1.182 4.917 4.668 1.00 0.00 C ATOM 595 C TYR A 46 -0.134 5.539 4.211 1.00 0.00 C ATOM 596 O TYR A 46 -0.248 6.758 4.088 1.00 0.00 O ATOM 597 CB TYR A 46 1.997 4.472 3.452 1.00 0.00 C ATOM 598 CG TYR A 46 2.060 5.508 2.352 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.790 6.678 2.515 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.390 5.315 1.151 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.849 7.627 1.513 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.445 6.258 0.143 1.00 0.00 C ATOM 603 CZ TYR A 46 2.175 7.413 0.329 1.00 0.00 C ATOM 604 OH TYR A 46 2.233 8.356 -0.672 1.00 0.00 O ATOM 0 H TYR A 46 1.196 2.881 5.166 1.00 0.00 H new ATOM 0 HA TYR A 46 1.746 5.668 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.011 4.233 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.565 3.555 3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.320 6.849 3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.816 4.412 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.420 8.532 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.919 6.092 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 46 3.090 8.830 -0.626 1.00 0.00 H new ATOM 614 N CYS A 47 -1.125 4.690 3.962 1.00 0.00 N ATOM 615 CA CYS A 47 -2.435 5.155 3.518 1.00 0.00 C ATOM 616 C CYS A 47 -3.186 5.834 4.659 1.00 0.00 C ATOM 617 O CYS A 47 -3.889 6.824 4.452 1.00 0.00 O ATOM 618 CB CYS A 47 -3.258 3.985 2.976 1.00 0.00 C ATOM 619 SG CYS A 47 -2.442 3.060 1.653 1.00 0.00 S ATOM 0 H CYS A 47 -1.047 3.678 4.060 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.284 5.884 2.721 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.484 3.303 3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.210 4.365 2.606 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.462 2.366 2.150 1.00 0.00 H new ATOM 625 N THR A 48 -3.035 5.294 5.864 1.00 0.00 N ATOM 626 CA THR A 48 -3.699 5.846 7.038 1.00 0.00 C ATOM 627 C THR A 48 -3.052 7.155 7.473 1.00 0.00 C ATOM 628 O THR A 48 -3.729 8.067 7.946 1.00 0.00 O ATOM 629 CB THR A 48 -3.671 4.856 8.217 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.338 3.642 7.853 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.336 5.457 9.446 1.00 0.00 C ATOM 0 H THR A 48 -2.458 4.474 6.053 1.00 0.00 H new ATOM 0 HA THR A 48 -4.735 6.033 6.755 1.00 0.00 H new ATOM 0 HB THR A 48 -2.630 4.641 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.753 3.108 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.304 4.739 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.808 6.365 9.738 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.374 5.699 9.216 1.00 0.00 H new ATOM 639 N ASP A 49 -1.736 7.241 7.311 1.00 0.00 N ATOM 640 CA ASP A 49 -0.996 8.440 7.685 1.00 0.00 C ATOM 641 C ASP A 49 -1.421 9.631 6.832 1.00 0.00 C ATOM 642 O ASP A 49 -1.352 10.779 7.271 1.00 0.00 O ATOM 643 CB ASP A 49 0.509 8.204 7.539 1.00 0.00 C ATOM 644 CG ASP A 49 1.095 7.460 8.722 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.385 7.306 9.738 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.266 7.032 8.634 1.00 0.00 O ATOM 0 H ASP A 49 -1.160 6.494 6.923 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.222 8.664 8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.698 7.638 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.015 9.163 7.429 1.00 0.00 H new ATOM 651 N LEU A 50 -1.861 9.349 5.610 1.00 0.00 N ATOM 652 CA LEU A 50 -2.297 10.396 4.693 1.00 0.00 C ATOM 653 C LEU A 50 -3.609 11.017 5.162 1.00 0.00 C ATOM 654 O LEU A 50 -3.752 12.240 5.192 1.00 0.00 O ATOM 655 CB LEU A 50 -2.463 9.830 3.282 1.00 0.00 C ATOM 656 CG LEU A 50 -1.171 9.471 2.547 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.477 8.666 1.293 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.389 10.729 2.199 1.00 0.00 C ATOM 0 H LEU A 50 -1.925 8.404 5.232 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.533 11.173 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.084 8.936 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.009 10.558 2.682 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.558 8.857 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.546 8.419 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.995 7.747 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.110 9.254 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.527 10.455 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.995 11.368 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.138 11.266 3.114 1.00 0.00 H new ATOM 670 N ILE A 51 -4.563 10.168 5.528 1.00 0.00 N ATOM 671 CA ILE A 51 -5.861 10.634 5.998 1.00 0.00 C ATOM 672 C ILE A 51 -5.714 11.519 7.230 1.00 0.00 C ATOM 673 O ILE A 51 -6.563 12.368 7.502 1.00 0.00 O ATOM 674 CB ILE A 51 -6.795 9.456 6.334 1.00 0.00 C ATOM 675 CG1 ILE A 51 -7.008 8.578 5.099 1.00 0.00 C ATOM 676 CG2 ILE A 51 -8.126 9.969 6.862 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.025 7.097 5.407 1.00 0.00 C ATOM 0 H ILE A 51 -4.461 9.153 5.508 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.300 11.215 5.187 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.328 8.851 7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.950 8.853 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.217 8.782 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.775 9.125 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.957 10.557 7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.601 10.594 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.180 6.536 4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.074 6.807 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.834 6.880 6.105 1.00 0.00 H new ATOM 689 N GLU A 52 -4.631 11.316 7.973 1.00 0.00 N ATOM 690 CA GLU A 52 -4.372 12.097 9.176 1.00 0.00 C ATOM 691 C GLU A 52 -3.951 13.520 8.822 1.00 0.00 C ATOM 692 O GLU A 52 -4.143 14.448 9.607 1.00 0.00 O ATOM 693 CB GLU A 52 -3.286 11.428 10.022 1.00 0.00 C ATOM 694 CG GLU A 52 -3.674 10.051 10.533 1.00 0.00 C ATOM 695 CD GLU A 52 -3.162 9.784 11.935 1.00 0.00 C ATOM 696 OE1 GLU A 52 -1.955 9.502 12.082 1.00 0.00 O ATOM 697 OE2 GLU A 52 -3.969 9.856 12.886 1.00 0.00 O ATOM 0 H GLU A 52 -3.919 10.617 7.763 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.296 12.143 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.376 11.343 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.053 12.069 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.760 9.956 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.281 9.292 9.856 1.00 0.00 H new ATOM 704 N GLU A 53 -3.378 13.683 7.634 1.00 0.00 N ATOM 705 CA GLU A 53 -2.929 14.993 7.175 1.00 0.00 C ATOM 706 C GLU A 53 -3.794 15.492 6.022 1.00 0.00 C ATOM 707 O GLU A 53 -3.441 16.450 5.335 1.00 0.00 O ATOM 708 CB GLU A 53 -1.464 14.931 6.740 1.00 0.00 C ATOM 709 CG GLU A 53 -1.166 13.798 5.771 1.00 0.00 C ATOM 710 CD GLU A 53 0.231 13.883 5.187 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.461 14.759 4.325 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.094 13.076 5.590 1.00 0.00 O ATOM 0 H GLU A 53 -3.214 12.925 6.972 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.024 15.693 8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.191 15.878 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.836 14.818 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.283 12.844 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.896 13.815 4.962 1.00 0.00 H new ATOM 719 N LYS A 54 -4.931 14.835 5.815 1.00 0.00 N ATOM 720 CA LYS A 54 -5.849 15.209 4.746 1.00 0.00 C ATOM 721 C LYS A 54 -5.197 15.023 3.379 1.00 0.00 C ATOM 722 O LYS A 54 -5.681 15.544 2.374 1.00 0.00 O ATOM 723 CB LYS A 54 -6.295 16.664 4.916 1.00 0.00 C ATOM 724 CG LYS A 54 -6.681 17.018 6.341 1.00 0.00 C ATOM 725 CD LYS A 54 -8.041 17.695 6.398 1.00 0.00 C ATOM 726 CE LYS A 54 -9.172 16.679 6.363 1.00 0.00 C ATOM 727 NZ LYS A 54 -10.448 17.251 6.877 1.00 0.00 N ATOM 0 H LYS A 54 -5.239 14.040 6.375 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.721 14.558 4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.489 17.323 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.145 16.854 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.698 16.114 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.927 17.678 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.114 18.291 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.142 18.382 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.316 16.331 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.897 15.809 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.194 16.527 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.318 17.560 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.724 18.065 6.292 1.00 0.00 H new ATOM 741 N ASP A 55 -4.099 14.276 3.349 1.00 0.00 N ATOM 742 CA ASP A 55 -3.383 14.020 2.106 1.00 0.00 C ATOM 743 C ASP A 55 -3.799 12.680 1.505 1.00 0.00 C ATOM 744 O ASP A 55 -3.005 12.012 0.842 1.00 0.00 O ATOM 745 CB ASP A 55 -1.872 14.036 2.348 1.00 0.00 C ATOM 746 CG ASP A 55 -1.096 14.512 1.137 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.726 14.758 0.087 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.142 14.642 1.239 1.00 0.00 O ATOM 0 H ASP A 55 -3.686 13.837 4.172 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.638 14.811 1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.650 14.684 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.540 13.033 2.618 1.00 0.00 H new ATOM 753 N LEU A 56 -5.048 12.295 1.744 1.00 0.00 N ATOM 754 CA LEU A 56 -5.570 11.034 1.227 1.00 0.00 C ATOM 755 C LEU A 56 -5.910 11.152 -0.255 1.00 0.00 C ATOM 756 O LEU A 56 -6.292 10.171 -0.893 1.00 0.00 O ATOM 757 CB LEU A 56 -6.812 10.613 2.015 1.00 0.00 C ATOM 758 CG LEU A 56 -7.767 11.738 2.413 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.131 12.582 1.201 1.00 0.00 C ATOM 760 CD2 LEU A 56 -9.020 11.169 3.063 1.00 0.00 C ATOM 0 H LEU A 56 -5.717 12.836 2.291 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.798 10.274 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.366 9.887 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.487 10.102 2.921 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.263 12.377 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.812 13.378 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.227 13.019 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.616 11.955 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.688 11.984 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.526 10.507 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.744 10.607 3.955 1.00 0.00 H new ATOM 772 N GLU A 57 -5.767 12.357 -0.795 1.00 0.00 N ATOM 773 CA GLU A 57 -6.058 12.602 -2.203 1.00 0.00 C ATOM 774 C GLU A 57 -5.314 11.611 -3.093 1.00 0.00 C ATOM 775 O GLU A 57 -5.899 11.003 -3.991 1.00 0.00 O ATOM 776 CB GLU A 57 -5.676 14.033 -2.586 1.00 0.00 C ATOM 777 CG GLU A 57 -6.747 15.059 -2.255 1.00 0.00 C ATOM 778 CD GLU A 57 -6.666 16.292 -3.133 1.00 0.00 C ATOM 779 OE1 GLU A 57 -5.551 16.620 -3.594 1.00 0.00 O ATOM 780 OE2 GLU A 57 -7.715 16.930 -3.359 1.00 0.00 O ATOM 0 H GLU A 57 -5.452 13.179 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.129 12.467 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.754 14.304 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.467 14.070 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.730 14.602 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.651 15.355 -1.210 1.00 0.00 H new ATOM 787 N LYS A 58 -4.020 11.452 -2.838 1.00 0.00 N ATOM 788 CA LYS A 58 -3.194 10.534 -3.614 1.00 0.00 C ATOM 789 C LYS A 58 -3.546 9.084 -3.297 1.00 0.00 C ATOM 790 O LYS A 58 -3.533 8.225 -4.179 1.00 0.00 O ATOM 791 CB LYS A 58 -1.711 10.784 -3.327 1.00 0.00 C ATOM 792 CG LYS A 58 -1.087 11.838 -4.225 1.00 0.00 C ATOM 793 CD LYS A 58 -0.907 13.158 -3.494 1.00 0.00 C ATOM 794 CE LYS A 58 -2.230 13.889 -3.329 1.00 0.00 C ATOM 795 NZ LYS A 58 -2.067 15.364 -3.446 1.00 0.00 N ATOM 0 H LYS A 58 -3.520 11.947 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.390 10.714 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.598 11.091 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.164 9.849 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.120 11.485 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.717 11.989 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.467 12.975 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.208 13.788 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.934 13.540 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.660 13.647 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.991 15.826 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.415 15.701 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.681 15.597 -4.383 1.00 0.00 H new ATOM 809 N LEU A 59 -3.863 8.819 -2.035 1.00 0.00 N ATOM 810 CA LEU A 59 -4.221 7.473 -1.602 1.00 0.00 C ATOM 811 C LEU A 59 -5.352 6.909 -2.456 1.00 0.00 C ATOM 812 O LEU A 59 -5.286 5.771 -2.919 1.00 0.00 O ATOM 813 CB LEU A 59 -4.635 7.483 -0.129 1.00 0.00 C ATOM 814 CG LEU A 59 -5.463 6.287 0.343 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.737 4.984 0.045 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.767 6.403 1.830 1.00 0.00 C ATOM 0 H LEU A 59 -3.879 9.519 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.346 6.834 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.733 7.539 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.205 8.392 0.061 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.407 6.285 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.341 4.144 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.571 4.897 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.778 4.976 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.357 5.544 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.833 6.430 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.329 7.318 2.016 1.00 0.00 H new ATOM 828 N ASP A 60 -6.388 7.715 -2.663 1.00 0.00 N ATOM 829 CA ASP A 60 -7.532 7.298 -3.464 1.00 0.00 C ATOM 830 C ASP A 60 -7.080 6.745 -4.812 1.00 0.00 C ATOM 831 O ASP A 60 -7.693 5.825 -5.355 1.00 0.00 O ATOM 832 CB ASP A 60 -8.489 8.473 -3.677 1.00 0.00 C ATOM 833 CG ASP A 60 -9.449 8.237 -4.826 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.287 7.318 -4.721 1.00 0.00 O ATOM 835 OD2 ASP A 60 -9.362 8.973 -5.831 1.00 0.00 O ATOM 0 H ASP A 60 -6.459 8.661 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.053 6.508 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.057 8.646 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.912 9.377 -3.869 1.00 0.00 H new ATOM 840 N LEU A 61 -6.003 7.310 -5.346 1.00 0.00 N ATOM 841 CA LEU A 61 -5.468 6.875 -6.631 1.00 0.00 C ATOM 842 C LEU A 61 -4.688 5.573 -6.483 1.00 0.00 C ATOM 843 O LEU A 61 -4.677 4.737 -7.386 1.00 0.00 O ATOM 844 CB LEU A 61 -4.566 7.959 -7.224 1.00 0.00 C ATOM 845 CG LEU A 61 -5.076 9.395 -7.106 1.00 0.00 C ATOM 846 CD1 LEU A 61 -3.976 10.383 -7.462 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.292 9.604 -7.998 1.00 0.00 C ATOM 0 H LEU A 61 -5.483 8.071 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.306 6.700 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.592 7.899 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.409 7.736 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.374 9.571 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.358 11.400 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.134 10.250 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.647 10.208 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.642 10.632 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.020 9.409 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.086 8.921 -7.697 1.00 0.00 H new ATOM 859 N VAL A 62 -4.036 5.406 -5.336 1.00 0.00 N ATOM 860 CA VAL A 62 -3.256 4.205 -5.067 1.00 0.00 C ATOM 861 C VAL A 62 -4.144 2.967 -5.040 1.00 0.00 C ATOM 862 O VAL A 62 -3.762 1.904 -5.530 1.00 0.00 O ATOM 863 CB VAL A 62 -2.503 4.312 -3.728 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.714 3.041 -3.455 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.588 5.528 -3.727 1.00 0.00 C ATOM 0 H VAL A 62 -4.033 6.089 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.532 4.111 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.234 4.435 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.189 3.136 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.396 2.192 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.991 2.883 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.064 5.588 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.862 5.438 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.182 6.430 -3.872 1.00 0.00 H new ATOM 875 N ILE A 63 -5.333 3.111 -4.464 1.00 0.00 N ATOM 876 CA ILE A 63 -6.278 2.005 -4.374 1.00 0.00 C ATOM 877 C ILE A 63 -6.620 1.460 -5.757 1.00 0.00 C ATOM 878 O ILE A 63 -6.859 0.264 -5.924 1.00 0.00 O ATOM 879 CB ILE A 63 -7.578 2.430 -3.666 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.262 3.055 -2.305 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.507 1.237 -3.504 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.502 2.133 -1.378 1.00 0.00 C ATOM 0 H ILE A 63 -5.665 3.983 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.794 1.224 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.082 3.177 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.680 3.964 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.195 3.351 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.421 1.553 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.753 0.832 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.013 0.469 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.313 2.642 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.091 1.235 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.553 1.857 -1.837 1.00 0.00 H new ATOM 894 N LYS A 64 -6.639 2.347 -6.747 1.00 0.00 N ATOM 895 CA LYS A 64 -6.949 1.957 -8.118 1.00 0.00 C ATOM 896 C LYS A 64 -5.788 1.185 -8.739 1.00 0.00 C ATOM 897 O LYS A 64 -5.988 0.349 -9.619 1.00 0.00 O ATOM 898 CB LYS A 64 -7.264 3.192 -8.963 1.00 0.00 C ATOM 899 CG LYS A 64 -8.221 4.161 -8.291 1.00 0.00 C ATOM 900 CD LYS A 64 -9.603 3.552 -8.122 1.00 0.00 C ATOM 901 CE LYS A 64 -10.336 3.454 -9.450 1.00 0.00 C ATOM 902 NZ LYS A 64 -10.588 4.797 -10.044 1.00 0.00 N ATOM 0 H LYS A 64 -6.443 3.341 -6.625 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.824 1.308 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.334 3.713 -9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.692 2.872 -9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.826 4.446 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.294 5.072 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.513 2.559 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.186 4.157 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.750 2.853 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.285 2.937 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.357 4.730 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.859 5.463 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.724 5.137 -10.513 1.00 0.00 H new ATOM 916 N TYR A 65 -4.577 1.471 -8.274 1.00 0.00 N ATOM 917 CA TYR A 65 -3.385 0.805 -8.785 1.00 0.00 C ATOM 918 C TYR A 65 -3.214 -0.571 -8.147 1.00 0.00 C ATOM 919 O TYR A 65 -2.761 -1.515 -8.793 1.00 0.00 O ATOM 920 CB TYR A 65 -2.145 1.660 -8.519 1.00 0.00 C ATOM 921 CG TYR A 65 -1.034 1.443 -9.523 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.275 1.547 -10.888 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.254 1.132 -9.106 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.264 1.349 -11.808 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.272 0.934 -10.020 1.00 0.00 C ATOM 926 CZ TYR A 65 1.008 1.043 -11.369 1.00 0.00 C ATOM 927 OH TYR A 65 2.017 0.845 -12.282 1.00 0.00 O ATOM 0 H TYR A 65 -4.395 2.160 -7.544 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.505 0.675 -9.860 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.430 2.712 -8.527 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.769 1.439 -7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.269 1.787 -11.235 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.464 1.043 -8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.468 1.433 -12.865 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.269 0.695 -9.679 1.00 0.00 H new ATOM 0 HH TYR A 65 2.850 0.639 -11.809 1.00 0.00 H new ATOM 937 N MET A 66 -3.582 -0.676 -6.874 1.00 0.00 N ATOM 938 CA MET A 66 -3.472 -1.936 -6.148 1.00 0.00 C ATOM 939 C MET A 66 -4.564 -2.909 -6.580 1.00 0.00 C ATOM 940 O MET A 66 -4.329 -4.113 -6.691 1.00 0.00 O ATOM 941 CB MET A 66 -3.559 -1.690 -4.640 1.00 0.00 C ATOM 942 CG MET A 66 -2.385 -2.264 -3.863 1.00 0.00 C ATOM 943 SD MET A 66 -2.543 -2.013 -2.084 1.00 0.00 S ATOM 944 CE MET A 66 -2.749 -0.235 -2.009 1.00 0.00 C ATOM 0 H MET A 66 -3.959 0.096 -6.324 1.00 0.00 H new ATOM 0 HA MET A 66 -2.503 -2.378 -6.381 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.615 -0.617 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.483 -2.127 -4.261 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.304 -3.331 -4.070 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.462 -1.801 -4.211 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.699 0.094 -0.971 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.956 0.248 -2.581 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.717 0.037 -2.430 1.00 0.00 H new ATOM 954 N LYS A 67 -5.759 -2.381 -6.821 1.00 0.00 N ATOM 955 CA LYS A 67 -6.888 -3.203 -7.243 1.00 0.00 C ATOM 956 C LYS A 67 -6.679 -3.729 -8.659 1.00 0.00 C ATOM 957 O LYS A 67 -7.072 -4.851 -8.979 1.00 0.00 O ATOM 958 CB LYS A 67 -8.186 -2.396 -7.173 1.00 0.00 C ATOM 959 CG LYS A 67 -8.301 -1.334 -8.252 1.00 0.00 C ATOM 960 CD LYS A 67 -9.605 -0.563 -8.139 1.00 0.00 C ATOM 961 CE LYS A 67 -10.801 -1.437 -8.483 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.684 -2.024 -9.847 1.00 0.00 N ATOM 0 H LYS A 67 -5.971 -1.387 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.959 -4.054 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.033 -3.078 -7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.254 -1.918 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.461 -0.643 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.239 -1.803 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.714 -0.178 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.579 0.298 -8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.889 -2.238 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.714 -0.845 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.624 -2.319 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.293 -1.314 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.053 -2.850 -9.817 1.00 0.00 H new ATOM 976 N ARG A 68 -6.058 -2.912 -9.503 1.00 0.00 N ATOM 977 CA ARG A 68 -5.797 -3.296 -10.885 1.00 0.00 C ATOM 978 C ARG A 68 -4.568 -4.195 -10.978 1.00 0.00 C ATOM 979 O ARG A 68 -4.398 -4.938 -11.946 1.00 0.00 O ATOM 980 CB ARG A 68 -5.600 -2.053 -11.754 1.00 0.00 C ATOM 981 CG ARG A 68 -4.245 -1.388 -11.568 1.00 0.00 C ATOM 982 CD ARG A 68 -4.084 -0.187 -12.485 1.00 0.00 C ATOM 983 NE ARG A 68 -4.978 0.908 -12.118 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.904 2.125 -12.642 1.00 0.00 C ATOM 985 NH1 ARG A 68 -3.981 2.404 -13.553 1.00 0.00 N ATOM 986 NH2 ARG A 68 -5.755 3.069 -12.256 1.00 0.00 N ATOM 0 H ARG A 68 -5.726 -1.980 -9.254 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.660 -3.853 -11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.719 -2.330 -12.802 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.384 -1.331 -11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.132 -1.073 -10.531 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.453 -2.110 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.052 0.161 -12.448 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.283 -0.488 -13.514 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.699 0.727 -11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.326 1.682 -13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.927 3.340 -13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.467 2.859 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.697 4.004 -12.660 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.712 -4.122 -9.965 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.496 -4.928 -9.931 1.00 0.00 C ATOM 1002 C LEU A 69 -2.758 -6.281 -9.277 1.00 0.00 C ATOM 1003 O LEU A 69 -2.504 -7.328 -9.871 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.390 -4.188 -9.175 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.557 -3.206 -9.998 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.462 -2.500 -9.116 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.136 -3.925 -11.146 1.00 0.00 C ATOM 0 H LEU A 69 -3.837 -3.513 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.173 -5.098 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.845 -3.643 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.718 -4.927 -8.739 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.226 -2.455 -10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.046 -1.805 -9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.056 -1.951 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.127 -3.237 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.724 -3.210 -11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.793 -4.698 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.612 -4.383 -11.793 1.00 0.00 H new ATOM 1019 N MET A 70 -3.269 -6.250 -8.050 1.00 0.00 N ATOM 1020 CA MET A 70 -3.568 -7.474 -7.316 1.00 0.00 C ATOM 1021 C MET A 70 -4.552 -8.345 -8.091 1.00 0.00 C ATOM 1022 O MET A 70 -4.588 -9.563 -7.915 1.00 0.00 O ATOM 1023 CB MET A 70 -4.141 -7.140 -5.938 1.00 0.00 C ATOM 1024 CG MET A 70 -3.159 -6.418 -5.030 1.00 0.00 C ATOM 1025 SD MET A 70 -3.157 -7.070 -3.349 1.00 0.00 S ATOM 1026 CE MET A 70 -1.942 -6.007 -2.574 1.00 0.00 C ATOM 0 H MET A 70 -3.484 -5.391 -7.544 1.00 0.00 H new ATOM 0 HA MET A 70 -2.639 -8.029 -7.190 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.030 -6.521 -6.063 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.461 -8.062 -5.453 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.156 -6.500 -5.448 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.407 -5.357 -5.004 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.684 -6.404 -1.592 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.047 -5.965 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.354 -5.004 -2.463 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.347 -7.714 -8.949 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.331 -8.433 -9.749 1.00 0.00 C ATOM 1038 C GLN A 71 -5.653 -9.447 -10.664 1.00 0.00 C ATOM 1039 O GLN A 71 -6.098 -10.589 -10.777 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.158 -7.452 -10.581 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.528 -7.156 -9.990 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.567 -8.185 -10.385 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -9.248 -9.205 -10.997 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.822 -7.924 -10.036 1.00 0.00 N ATOM 0 H GLN A 71 -5.329 -6.707 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.992 -8.970 -9.069 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.605 -6.518 -10.681 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.285 -7.857 -11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.451 -7.121 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.856 -6.170 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.043 -7.067 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.565 -8.581 -10.275 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.574 -9.022 -11.313 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.836 -9.895 -12.219 1.00 0.00 C ATOM 1055 C GLN A 72 -3.292 -11.113 -11.478 1.00 0.00 C ATOM 1056 O GLN A 72 -3.123 -12.182 -12.064 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.687 -9.128 -12.876 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.398 -9.154 -12.071 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.473 -8.002 -12.411 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.706 -8.204 -12.705 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -1.004 -6.786 -12.373 1.00 0.00 N ATOM 0 H GLN A 72 -4.192 -8.080 -11.229 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.523 -10.239 -12.992 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.497 -9.550 -13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.991 -8.092 -13.025 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.637 -9.121 -11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.880 -10.096 -12.252 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.986 -6.666 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.430 -5.972 -12.593 1.00 0.00 H new ATOM 1070 N SER A 73 -3.019 -10.942 -10.189 1.00 0.00 N ATOM 1071 CA SER A 73 -2.491 -12.026 -9.370 1.00 0.00 C ATOM 1072 C SER A 73 -3.571 -13.063 -9.078 1.00 0.00 C ATOM 1073 O SER A 73 -4.749 -12.729 -8.946 1.00 0.00 O ATOM 1074 CB SER A 73 -1.929 -11.474 -8.058 1.00 0.00 C ATOM 1075 OG SER A 73 -0.843 -10.596 -8.298 1.00 0.00 O ATOM 0 H SER A 73 -3.155 -10.063 -9.689 1.00 0.00 H new ATOM 0 HA SER A 73 -1.688 -12.511 -9.926 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.714 -10.947 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.601 -12.298 -7.424 1.00 0.00 H new ATOM 0 HG SER A 73 -0.503 -10.256 -7.444 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.161 -14.323 -8.976 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.093 -15.410 -8.698 1.00 0.00 C ATOM 1083 C VAL A 74 -3.919 -15.933 -7.277 1.00 0.00 C ATOM 1084 O VAL A 74 -4.843 -16.501 -6.697 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.907 -16.575 -9.688 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -2.634 -17.345 -9.374 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -5.117 -17.496 -9.659 1.00 0.00 C ATOM 0 H VAL A 74 -2.190 -14.617 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.098 -15.003 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.815 -16.163 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.520 -18.164 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.776 -16.677 -9.450 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.692 -17.747 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.969 -18.314 -10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.242 -17.901 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.009 -16.934 -9.937 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.727 -15.736 -6.721 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.432 -16.188 -5.366 1.00 0.00 C ATOM 1099 C GLU A 75 -3.441 -15.621 -4.372 1.00 0.00 C ATOM 1100 O GLU A 75 -3.652 -14.411 -4.308 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.015 -15.775 -4.964 1.00 0.00 C ATOM 1102 CG GLU A 75 0.056 -16.255 -5.928 1.00 0.00 C ATOM 1103 CD GLU A 75 0.437 -17.706 -5.702 1.00 0.00 C ATOM 1104 OE1 GLU A 75 1.176 -17.981 -4.734 1.00 0.00 O ATOM 1105 OE2 GLU A 75 -0.004 -18.565 -6.493 1.00 0.00 O ATOM 0 H GLU A 75 -1.951 -15.267 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.504 -17.276 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.968 -14.688 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.800 -16.167 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.300 -16.132 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.942 -15.630 -5.821 1.00 0.00 H new ATOM 1112 N SER A 76 -4.062 -16.507 -3.598 1.00 0.00 N ATOM 1113 CA SER A 76 -5.052 -16.096 -2.610 1.00 0.00 C ATOM 1114 C SER A 76 -4.455 -15.091 -1.628 1.00 0.00 C ATOM 1115 O SER A 76 -5.167 -14.261 -1.062 1.00 0.00 O ATOM 1116 CB SER A 76 -5.581 -17.315 -1.851 1.00 0.00 C ATOM 1117 OG SER A 76 -6.322 -18.166 -2.707 1.00 0.00 O ATOM 0 H SER A 76 -3.897 -17.513 -3.637 1.00 0.00 H new ATOM 0 HA SER A 76 -5.878 -15.617 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.747 -17.867 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.211 -16.987 -1.024 1.00 0.00 H new ATOM 0 HG SER A 76 -6.648 -18.938 -2.199 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.143 -15.173 -1.431 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.449 -14.271 -0.520 1.00 0.00 C ATOM 1125 C VAL A 77 -2.614 -12.819 -0.953 1.00 0.00 C ATOM 1126 O VAL A 77 -2.838 -11.936 -0.124 1.00 0.00 O ATOM 1127 CB VAL A 77 -0.947 -14.603 -0.438 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.318 -14.580 -1.822 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.238 -13.632 0.495 1.00 0.00 C ATOM 0 H VAL A 77 -2.539 -15.855 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.898 -14.407 0.464 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.836 -15.609 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.743 -14.817 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.808 -15.318 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.437 -13.589 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.822 -13.881 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.356 -12.615 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.672 -13.704 1.492 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.503 -12.579 -2.254 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.640 -11.232 -2.797 1.00 0.00 C ATOM 1141 C TRP A 78 -4.105 -10.811 -2.844 1.00 0.00 C ATOM 1142 O TRP A 78 -4.459 -9.716 -2.408 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.031 -11.161 -4.198 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.533 -11.147 -4.195 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.297 -12.081 -4.746 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.314 -10.152 -3.610 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.608 -11.727 -4.539 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.646 -10.546 -3.845 1.00 0.00 C ATOM 1149 CE3 TRP A 78 0.077 -8.964 -2.912 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.733 -9.796 -3.406 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 1.158 -8.220 -2.477 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.472 -8.638 -2.726 1.00 0.00 C ATOM 0 H TRP A 78 -2.319 -13.299 -2.953 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.105 -10.546 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.378 -12.014 -4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.394 -10.264 -4.699 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.030 -12.968 -5.268 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.421 -12.257 -4.851 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.932 -8.633 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.747 -10.117 -3.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.987 -7.301 -1.936 1.00 0.00 H new ATOM 0 HH2 TRP A 78 3.295 -8.034 -2.374 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.951 -11.686 -3.376 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.378 -11.404 -3.480 1.00 0.00 C ATOM 1165 C ASN A 79 -6.975 -11.106 -2.107 1.00 0.00 C ATOM 1166 O ASN A 79 -7.678 -10.113 -1.927 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.108 -12.586 -4.120 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.744 -12.767 -5.582 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.298 -12.102 -6.457 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.809 -13.670 -5.850 1.00 0.00 N ATOM 0 H ASN A 79 -4.673 -12.597 -3.742 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.504 -10.524 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.868 -13.498 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.184 -12.436 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.522 -13.836 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.377 -14.198 -5.091 1.00 0.00 H new ATOM 1177 N MET A 80 -6.688 -11.975 -1.143 1.00 0.00 N ATOM 1178 CA MET A 80 -7.195 -11.804 0.214 1.00 0.00 C ATOM 1179 C MET A 80 -6.521 -10.621 0.901 1.00 0.00 C ATOM 1180 O MET A 80 -7.068 -10.043 1.840 1.00 0.00 O ATOM 1181 CB MET A 80 -6.969 -13.078 1.030 1.00 0.00 C ATOM 1182 CG MET A 80 -7.791 -14.262 0.547 1.00 0.00 C ATOM 1183 SD MET A 80 -8.201 -15.411 1.876 1.00 0.00 S ATOM 1184 CE MET A 80 -9.057 -16.692 0.963 1.00 0.00 C ATOM 0 H MET A 80 -6.108 -12.803 -1.276 1.00 0.00 H new ATOM 0 HA MET A 80 -8.265 -11.605 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.912 -13.341 0.993 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.212 -12.879 2.074 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.711 -13.898 0.090 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.237 -14.792 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.374 -17.477 1.649 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.931 -16.266 0.470 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.388 -17.114 0.213 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.331 -10.266 0.428 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.584 -9.150 0.995 1.00 0.00 C ATOM 1196 C ALA A 81 -5.294 -7.826 0.735 1.00 0.00 C ATOM 1197 O ALA A 81 -5.504 -7.031 1.652 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.173 -9.117 0.428 1.00 0.00 C ATOM 0 H ALA A 81 -4.863 -10.736 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.526 -9.294 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.627 -8.279 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.661 -10.048 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.219 -9.001 -0.655 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.659 -7.593 -0.521 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.344 -6.363 -0.903 1.00 0.00 C ATOM 1206 C PHE A 82 -7.581 -6.138 -0.038 1.00 0.00 C ATOM 1207 O PHE A 82 -7.820 -5.031 0.446 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.743 -6.413 -2.379 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.577 -5.243 -2.815 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -7.147 -3.945 -2.584 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.789 -5.438 -3.457 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.913 -2.867 -2.983 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.559 -4.363 -3.859 1.00 0.00 C ATOM 1214 CZ PHE A 82 -9.120 -3.076 -3.623 1.00 0.00 C ATOM 0 H PHE A 82 -5.492 -8.240 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.657 -5.531 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.841 -6.453 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.296 -7.333 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.203 -3.775 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.137 -6.443 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.569 -1.861 -2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.503 -4.530 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.718 -2.234 -3.938 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.363 -7.195 0.151 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.576 -7.114 0.958 1.00 0.00 C ATOM 1226 C ASP A 83 -9.278 -6.512 2.328 1.00 0.00 C ATOM 1227 O ASP A 83 -10.015 -5.656 2.815 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.198 -8.501 1.121 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.702 -8.442 1.306 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.390 -7.909 0.412 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.191 -8.928 2.348 1.00 0.00 O ATOM 0 H ASP A 83 -8.179 -8.118 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.284 -6.465 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.966 -9.106 0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.748 -8.999 1.980 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.192 -6.969 2.945 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.798 -6.477 4.260 1.00 0.00 C ATOM 1238 C PHE A 84 -7.198 -5.078 4.160 1.00 0.00 C ATOM 1239 O PHE A 84 -7.622 -4.159 4.863 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.789 -7.432 4.903 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.354 -7.007 6.277 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.151 -7.264 7.380 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.147 -6.353 6.464 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -6.753 -6.874 8.645 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -4.744 -5.961 7.726 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.547 -6.223 8.818 1.00 0.00 C ATOM 0 H PHE A 84 -7.571 -7.678 2.556 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.690 -6.427 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.229 -8.428 4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.912 -7.508 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.094 -7.775 7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.514 -6.147 5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.384 -7.078 9.497 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.802 -5.450 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.233 -5.920 9.806 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.211 -4.924 3.285 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.554 -3.638 3.092 1.00 0.00 C ATOM 1258 C ILE A 85 -6.574 -2.530 2.852 1.00 0.00 C ATOM 1259 O ILE A 85 -6.615 -1.539 3.582 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.569 -3.680 1.909 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.496 -4.743 2.148 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.933 -2.314 1.701 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.787 -5.181 0.885 1.00 0.00 C ATOM 0 H ILE A 85 -5.848 -5.675 2.698 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.000 -3.426 4.007 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.119 -3.944 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.760 -4.353 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.956 -5.613 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.239 -2.360 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.710 -1.579 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.393 -2.023 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.040 -5.936 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.512 -5.601 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.298 -4.322 0.426 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.398 -2.705 1.825 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.420 -1.721 1.488 1.00 0.00 C ATOM 1277 C LEU A 86 -9.398 -1.534 2.644 1.00 0.00 C ATOM 1278 O LEU A 86 -9.905 -0.435 2.870 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.176 -2.151 0.230 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.283 -3.187 0.434 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.607 -2.501 0.731 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.408 -4.082 -0.791 1.00 0.00 C ATOM 0 H LEU A 86 -7.378 -3.519 1.211 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.924 -0.769 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.615 -1.264 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.456 -2.553 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.019 -3.809 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.383 -3.253 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.512 -1.903 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.877 -1.855 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.200 -4.813 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.649 -3.474 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.465 -4.601 -0.960 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.657 -2.614 3.372 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.572 -2.569 4.508 1.00 0.00 C ATOM 1296 C ASP A 87 -10.003 -1.705 5.629 1.00 0.00 C ATOM 1297 O ASP A 87 -10.747 -1.060 6.366 1.00 0.00 O ATOM 1298 CB ASP A 87 -10.846 -3.982 5.024 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.642 -3.982 6.316 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.863 -3.724 6.259 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.044 -4.238 7.381 1.00 0.00 O ATOM 0 H ASP A 87 -9.247 -3.531 3.197 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.509 -2.125 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.390 -4.544 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.899 -4.497 5.184 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.680 -1.699 5.753 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.012 -0.916 6.786 1.00 0.00 C ATOM 1308 C ASN A 88 -8.093 0.576 6.475 1.00 0.00 C ATOM 1309 O ASN A 88 -8.415 1.385 7.345 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.548 -1.342 6.912 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.366 -2.506 7.867 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.465 -2.499 8.708 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.222 -3.514 7.743 1.00 0.00 N ATOM 0 H ASN A 88 -8.049 -2.228 5.151 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.520 -1.101 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.167 -1.619 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.954 -0.496 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.148 -4.324 8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.953 -3.478 7.033 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.800 0.932 5.228 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.841 2.325 4.802 1.00 0.00 C ATOM 1322 C VAL A 89 -9.278 2.826 4.697 1.00 0.00 C ATOM 1323 O VAL A 89 -9.549 4.008 4.904 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.141 2.518 3.444 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.713 1.998 3.500 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.925 1.826 2.338 1.00 0.00 C ATOM 0 H VAL A 89 -7.532 0.275 4.496 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.312 2.903 5.560 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.106 3.585 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.235 2.143 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.157 2.542 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.722 0.936 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.416 1.972 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.993 0.760 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.928 2.250 2.283 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.192 1.917 4.375 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.602 2.267 4.242 1.00 0.00 C ATOM 1338 C GLN A 90 -12.246 2.462 5.610 1.00 0.00 C ATOM 1339 O GLN A 90 -13.163 3.267 5.768 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.347 1.182 3.464 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.087 1.219 1.966 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.828 2.348 1.274 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.947 2.170 0.796 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.202 3.519 1.217 1.00 0.00 N ATOM 0 H GLN A 90 -9.983 0.934 4.201 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.667 3.207 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.056 0.205 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.417 1.290 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.017 1.329 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.387 0.268 1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.274 3.622 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.650 4.315 0.763 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.760 1.716 6.598 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.287 1.807 7.955 1.00 0.00 C ATOM 1355 C VAL A 91 -11.774 3.057 8.662 1.00 0.00 C ATOM 1356 O VAL A 91 -12.550 3.816 9.244 1.00 0.00 O ATOM 1357 CB VAL A 91 -11.909 0.568 8.788 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.079 0.851 10.273 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.743 -0.632 8.367 1.00 0.00 C ATOM 0 H VAL A 91 -11.003 1.042 6.484 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.372 1.861 7.870 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.860 0.335 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.807 -0.036 10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.434 1.681 10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.118 1.111 10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.462 -1.498 8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.800 -0.412 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.566 -0.847 7.313 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.463 3.266 8.606 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.845 4.425 9.239 1.00 0.00 C ATOM 1371 C VAL A 92 -10.514 5.718 8.787 1.00 0.00 C ATOM 1372 O VAL A 92 -10.802 6.599 9.599 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.340 4.501 8.926 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.105 4.455 7.424 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.733 5.758 9.531 1.00 0.00 C ATOM 0 H VAL A 92 -9.808 2.647 8.128 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.978 4.307 10.314 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.849 3.637 9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.035 4.510 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.503 3.524 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.608 5.299 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.668 5.795 9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.226 6.637 9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.869 5.744 10.612 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.759 5.828 7.486 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.394 7.015 6.924 1.00 0.00 C ATOM 1387 C LEU A 93 -12.885 7.040 7.248 1.00 0.00 C ATOM 1388 O LEU A 93 -13.498 8.105 7.309 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.190 7.058 5.409 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.308 6.445 4.563 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.369 7.487 4.246 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.741 5.851 3.282 1.00 0.00 C ATOM 0 H LEU A 93 -10.527 5.109 6.800 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.928 7.892 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.063 8.098 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.259 6.543 5.173 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.775 5.644 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.156 7.033 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.796 7.866 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.917 8.310 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.550 5.419 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.249 6.634 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.018 5.074 3.530 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.460 5.860 7.459 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.877 5.748 7.779 1.00 0.00 C ATOM 1406 C GLN A 94 -15.169 6.310 9.166 1.00 0.00 C ATOM 1407 O GLN A 94 -16.292 6.720 9.457 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.324 4.287 7.704 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.702 4.040 8.299 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.150 2.599 8.157 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.269 2.326 7.722 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.276 1.668 8.522 1.00 0.00 N ATOM 0 H GLN A 94 -12.966 4.969 7.414 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.436 6.330 7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.326 3.969 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.596 3.666 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.691 4.311 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.427 4.691 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.359 1.940 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.521 0.681 8.447 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.149 6.326 10.019 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.297 6.837 11.376 1.00 0.00 C ATOM 1423 C GLN A 95 -14.240 8.360 11.393 1.00 0.00 C ATOM 1424 O GLN A 95 -14.916 9.009 12.193 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.205 6.264 12.282 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.113 4.747 12.239 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.601 4.156 13.538 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.381 3.781 14.413 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.282 4.071 13.670 1.00 0.00 N ATOM 0 H GLN A 95 -13.212 5.991 9.794 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.271 6.524 11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.244 6.686 11.990 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.393 6.579 13.308 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.097 4.333 12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.453 4.450 11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.672 4.394 12.919 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.879 3.683 14.523 1.00 0.00 H new ATOM 1438 N THR A 96 -13.430 8.928 10.506 1.00 0.00 N ATOM 1439 CA THR A 96 -13.284 10.375 10.419 1.00 0.00 C ATOM 1440 C THR A 96 -14.344 10.982 9.507 1.00 0.00 C ATOM 1441 O THR A 96 -14.795 12.106 9.725 1.00 0.00 O ATOM 1442 CB THR A 96 -11.889 10.769 9.899 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.665 12.168 10.107 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.751 10.442 8.420 1.00 0.00 C ATOM 0 H THR A 96 -12.864 8.407 9.836 1.00 0.00 H new ATOM 0 HA THR A 96 -13.411 10.766 11.429 1.00 0.00 H new ATOM 0 HB THR A 96 -11.144 10.197 10.452 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.775 12.410 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.758 10.729 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.892 9.372 8.269 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.504 10.991 7.854 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.737 10.230 8.484 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.744 10.695 7.537 1.00 0.00 C ATOM 1454 C TYR A 97 -17.122 10.150 7.896 1.00 0.00 C ATOM 1455 O TYR A 97 -18.082 10.906 8.043 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.370 10.271 6.116 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.268 11.107 5.504 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.524 12.388 5.030 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.974 10.616 5.399 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.521 13.155 4.469 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.964 11.377 4.841 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.243 12.645 4.378 1.00 0.00 C ATOM 1463 OH TYR A 97 -11.241 13.406 3.821 1.00 0.00 O ATOM 0 H TYR A 97 -14.374 9.297 8.290 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.780 11.783 7.588 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -15.058 9.227 6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.255 10.332 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.524 12.791 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.752 9.622 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.737 14.148 4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.962 10.980 4.768 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.221 13.262 2.852 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.213 8.831 8.037 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.477 8.206 8.379 1.00 0.00 C ATOM 1475 C GLY A 98 -18.906 7.170 7.359 1.00 0.00 C ATOM 1476 O GLY A 98 -19.754 6.324 7.643 1.00 0.00 O ATOM 0 H GLY A 98 -16.433 8.184 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.392 7.734 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.248 8.973 8.460 1.00 0.00 H new ATOM 1480 N SER A 99 -18.321 7.237 6.167 1.00 0.00 N ATOM 1481 CA SER A 99 -18.652 6.301 5.100 1.00 0.00 C ATOM 1482 C SER A 99 -17.386 5.723 4.472 1.00 0.00 C ATOM 1483 O SER A 99 -16.277 5.961 4.951 1.00 0.00 O ATOM 1484 CB SER A 99 -19.494 6.994 4.027 1.00 0.00 C ATOM 1485 OG SER A 99 -18.722 7.933 3.300 1.00 0.00 O ATOM 0 H SER A 99 -17.616 7.930 5.917 1.00 0.00 H new ATOM 0 HA SER A 99 -19.229 5.484 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.903 6.249 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.340 7.498 4.494 1.00 0.00 H new ATOM 0 HG SER A 99 -19.283 8.361 2.620 1.00 0.00 H new ATOM 1491 N THR A 100 -17.561 4.961 3.397 1.00 0.00 N ATOM 1492 CA THR A 100 -16.435 4.348 2.705 1.00 0.00 C ATOM 1493 C THR A 100 -16.523 4.578 1.200 1.00 0.00 C ATOM 1494 O THR A 100 -17.604 4.825 0.661 1.00 0.00 O ATOM 1495 CB THR A 100 -16.367 2.832 2.976 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.465 2.170 2.338 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.395 2.549 4.471 1.00 0.00 C ATOM 0 H THR A 100 -18.472 4.754 2.987 1.00 0.00 H new ATOM 0 HA THR A 100 -15.532 4.821 3.091 1.00 0.00 H new ATOM 0 HB THR A 100 -15.430 2.453 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.413 1.207 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.346 1.473 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.541 3.030 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.318 2.941 4.898 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.381 4.498 0.526 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.329 4.698 -0.918 1.00 0.00 C ATOM 1507 C LEU A 101 -15.866 3.476 -1.656 1.00 0.00 C ATOM 1508 O LEU A 101 -15.882 2.369 -1.119 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.894 4.986 -1.361 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.238 6.224 -0.748 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.730 6.184 -0.950 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.825 7.492 -1.349 1.00 0.00 C ATOM 0 H LEU A 101 -14.479 4.296 0.956 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.957 5.554 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.280 4.118 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.885 5.094 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.441 6.227 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.280 7.073 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.322 5.294 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.506 6.157 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.346 8.363 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.654 7.498 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.897 7.526 -1.152 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.304 3.684 -2.893 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.839 2.600 -3.709 1.00 0.00 C ATOM 1526 C LYS A 102 -15.723 1.881 -4.458 1.00 0.00 C ATOM 1527 O LYS A 102 -14.818 2.515 -5.003 1.00 0.00 O ATOM 1528 CB LYS A 102 -17.868 3.142 -4.703 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.586 2.058 -5.488 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.266 1.060 -4.566 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.018 -0.003 -5.352 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.340 0.490 -5.828 1.00 0.00 N ATOM 0 H LYS A 102 -16.299 4.594 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.326 1.886 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.605 3.736 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.368 3.813 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.328 2.513 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.873 1.537 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.520 0.584 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.958 1.585 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.418 -0.315 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.163 -0.883 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.821 -0.264 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.923 0.764 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.201 1.314 -6.446 1.00 0.00 H new