USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 167 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 163 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= 0.0772 K(o=0.077,f=-6.4!) USER MOD Single : A 173 CYS SG : rot 180:sc= 0.12 USER MOD Single : A 176 THR OG1 : rot -160:sc= -1.22 USER MOD Single : A 180 SER OG : rot 80:sc= -2.39! USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 159:sc= -0.0584 (180deg=-0.369) USER MOD Single : A 186 MET CE :methyl 169:sc= -1.02 (180deg=-1.43) USER MOD Single : A 194 CYS SG : rot 180:sc= -0.992 USER MOD Single : A 195 CYS SG : rot 12:sc= -0.852! USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= -1.7! C(o=-1.7!,f=-5.5!) USER MOD Single : A 205 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.424) USER MOD Single : A 206 LYS NZ :NH3+ -151:sc= 1.18 (180deg=0.345) USER MOD Single : A 212 THR OG1 : rot 98:sc= 0.16 USER MOD Single : A 215 SER OG : rot -26:sc= 0.308 USER MOD Single : A 218 THR OG1 : rot 83:sc= 0.574 USER MOD Single : A 223 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 -14.696 -2.056 0.191 1.00 2.57 N ATOM 66 CA PRO A 155 -13.697 -0.999 0.041 1.00 2.35 C ATOM 67 C PRO A 155 -12.310 -1.558 -0.268 1.00 2.15 C ATOM 68 O PRO A 155 -11.835 -2.468 0.410 1.00 2.14 O ATOM 69 CB PRO A 155 -13.723 -0.327 1.413 1.00 2.38 C ATOM 70 CG PRO A 155 -14.040 -1.428 2.352 1.00 2.54 C ATOM 71 CD PRO A 155 -15.005 -2.317 1.613 1.00 2.69 C ATOM 0 HA PRO A 155 -13.913 -0.325 -0.788 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -12.764 0.134 1.649 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.474 0.462 1.456 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.140 -1.974 2.635 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -14.483 -1.045 3.271 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -14.860 -3.367 1.869 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.040 -2.071 1.851 1.00 2.69 H new ATOM 79 N ILE A 156 -11.672 -1.035 -1.306 1.00 2.02 N ATOM 80 CA ILE A 156 -10.341 -1.482 -1.684 1.00 1.83 C ATOM 81 C ILE A 156 -9.399 -0.304 -1.922 1.00 1.65 C ATOM 82 O ILE A 156 -9.841 0.835 -2.101 1.00 1.71 O ATOM 83 CB ILE A 156 -10.385 -2.391 -2.939 1.00 1.96 C ATOM 84 CG1 ILE A 156 -10.986 -1.672 -4.156 1.00 2.15 C ATOM 85 CG2 ILE A 156 -11.185 -3.644 -2.638 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.024 -0.780 -4.891 1.00 2.11 C ATOM 0 H ILE A 156 -12.056 -0.301 -1.901 1.00 2.02 H new ATOM 0 HA ILE A 156 -9.954 -2.065 -0.849 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.357 -2.655 -3.188 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.371 -2.419 -4.850 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -11.836 -1.075 -3.826 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -11.213 -4.279 -3.523 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -10.716 -4.186 -1.817 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -12.201 -3.368 -2.357 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.533 -0.313 -5.735 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -9.656 -0.007 -4.216 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.185 -1.372 -5.256 1.00 2.11 H new ATOM 98 N VAL A 157 -8.105 -0.590 -1.902 1.00 1.45 N ATOM 99 CA VAL A 157 -7.082 0.381 -2.242 1.00 1.29 C ATOM 100 C VAL A 157 -6.096 -0.259 -3.213 1.00 1.25 C ATOM 101 O VAL A 157 -5.549 -1.328 -2.938 1.00 1.18 O ATOM 102 CB VAL A 157 -6.312 0.884 -0.997 1.00 1.14 C ATOM 103 CG1 VAL A 157 -5.302 1.956 -1.381 1.00 1.44 C ATOM 104 CG2 VAL A 157 -7.263 1.402 0.072 1.00 1.67 C ATOM 0 H VAL A 157 -7.737 -1.507 -1.648 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.576 1.241 -2.694 1.00 1.29 H new ATOM 0 HB VAL A 157 -5.771 0.035 -0.579 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -4.773 2.294 -0.490 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -4.587 1.544 -2.093 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.822 2.799 -1.836 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -6.690 1.747 0.932 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -7.847 2.229 -0.331 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -7.934 0.601 0.381 1.00 1.67 H new ATOM 114 N ARG A 158 -5.896 0.374 -4.353 1.00 1.38 N ATOM 115 CA ARG A 158 -4.986 -0.147 -5.364 1.00 1.47 C ATOM 116 C ARG A 158 -3.569 0.340 -5.103 1.00 1.29 C ATOM 117 O ARG A 158 -3.237 1.497 -5.346 1.00 1.32 O ATOM 118 CB ARG A 158 -5.450 0.254 -6.763 1.00 1.78 C ATOM 119 CG ARG A 158 -6.769 -0.395 -7.159 1.00 2.00 C ATOM 120 CD ARG A 158 -7.197 -0.021 -8.570 1.00 2.31 C ATOM 121 NE ARG A 158 -7.417 1.414 -8.725 1.00 2.65 N ATOM 122 CZ ARG A 158 -8.620 1.990 -8.771 1.00 2.95 C ATOM 123 NH1 ARG A 158 -9.724 1.255 -8.665 1.00 3.05 N ATOM 124 NH2 ARG A 158 -8.719 3.304 -8.933 1.00 3.61 N ATOM 0 H ARG A 158 -6.351 1.251 -4.606 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.990 -1.235 -5.306 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.556 1.338 -6.808 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.683 -0.022 -7.487 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.674 -1.478 -7.086 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.545 -0.094 -6.455 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -6.433 -0.347 -9.276 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -8.113 -0.555 -8.822 1.00 2.31 H new ATOM 0 HE ARG A 158 -6.597 2.016 -8.803 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -9.654 0.244 -8.548 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -10.640 1.702 -8.701 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -7.876 3.872 -9.022 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -9.638 3.746 -8.968 1.00 3.61 H new ATOM 138 N VAL A 159 -2.749 -0.558 -4.600 1.00 1.17 N ATOM 139 CA VAL A 159 -1.389 -0.241 -4.206 1.00 1.00 C ATOM 140 C VAL A 159 -0.404 -0.514 -5.334 1.00 1.24 C ATOM 141 O VAL A 159 -0.217 -1.656 -5.743 1.00 1.40 O ATOM 142 CB VAL A 159 -0.986 -1.078 -2.976 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.491 -0.926 -2.670 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.821 -0.681 -1.771 1.00 0.68 C ATOM 0 H VAL A 159 -3.006 -1.534 -4.451 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.357 0.821 -3.964 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.175 -2.127 -3.205 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.746 -1.528 -1.798 1.00 0.79 H new ATOM 0 HG12 VAL A 159 1.076 -1.262 -3.526 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.714 0.121 -2.466 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.525 -1.280 -0.910 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.662 0.375 -1.550 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.876 -0.852 -1.987 1.00 0.68 H new ATOM 154 N PHE A 160 0.224 0.533 -5.838 1.00 1.35 N ATOM 155 CA PHE A 160 1.257 0.372 -6.846 1.00 1.60 C ATOM 156 C PHE A 160 2.543 -0.084 -6.187 1.00 1.50 C ATOM 157 O PHE A 160 3.247 0.691 -5.552 1.00 1.42 O ATOM 158 CB PHE A 160 1.469 1.665 -7.636 1.00 1.81 C ATOM 159 CG PHE A 160 0.333 1.977 -8.572 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.974 1.975 -8.117 1.00 1.91 C ATOM 161 CD2 PHE A 160 0.573 2.274 -9.903 1.00 2.34 C ATOM 162 CE1 PHE A 160 -2.025 2.259 -8.969 1.00 2.13 C ATOM 163 CE2 PHE A 160 -0.472 2.560 -10.760 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.773 2.551 -10.292 1.00 2.44 C ATOM 0 H PHE A 160 0.039 1.499 -5.568 1.00 1.35 H new ATOM 0 HA PHE A 160 0.936 -0.389 -7.558 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.596 2.493 -6.939 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.393 1.587 -8.209 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -1.176 1.748 -7.081 1.00 1.91 H new ATOM 0 HD2 PHE A 160 1.587 2.282 -10.275 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -3.040 2.252 -8.599 1.00 2.13 H new ATOM 0 HE2 PHE A 160 -0.273 2.791 -11.796 1.00 2.54 H new ATOM 0 HZ PHE A 160 -2.590 2.772 -10.962 1.00 2.44 H new ATOM 174 N LEU A 161 2.817 -1.358 -6.348 1.00 1.56 N ATOM 175 CA LEU A 161 3.946 -2.018 -5.719 1.00 1.52 C ATOM 176 C LEU A 161 5.259 -1.587 -6.364 1.00 1.73 C ATOM 177 O LEU A 161 5.259 -0.942 -7.418 1.00 1.95 O ATOM 178 CB LEU A 161 3.782 -3.527 -5.886 1.00 1.63 C ATOM 179 CG LEU A 161 2.368 -4.046 -5.649 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.124 -5.281 -6.492 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.156 -4.351 -4.174 1.00 1.85 C ATOM 0 H LEU A 161 2.254 -1.979 -6.929 1.00 1.56 H new ATOM 0 HA LEU A 161 3.973 -1.744 -4.664 1.00 1.52 H new ATOM 0 HB2 LEU A 161 4.091 -3.803 -6.894 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.459 -4.031 -5.196 1.00 1.63 H new ATOM 0 HG LEU A 161 1.654 -3.277 -5.943 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.112 -5.646 -6.318 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.243 -5.031 -7.546 1.00 2.07 H new ATOM 0 HD13 LEU A 161 2.841 -6.055 -6.219 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.142 -4.720 -4.021 1.00 1.85 H new ATOM 0 HD22 LEU A 161 2.871 -5.109 -3.853 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.303 -3.443 -3.590 1.00 1.85 H new ATOM 193 N PRO A 162 6.397 -1.925 -5.735 1.00 1.72 N ATOM 194 CA PRO A 162 7.713 -1.769 -6.357 1.00 1.96 C ATOM 195 C PRO A 162 7.762 -2.442 -7.730 1.00 2.24 C ATOM 196 O PRO A 162 6.975 -3.354 -8.009 1.00 2.27 O ATOM 197 CB PRO A 162 8.652 -2.469 -5.369 1.00 1.92 C ATOM 198 CG PRO A 162 7.964 -2.339 -4.056 1.00 1.65 C ATOM 199 CD PRO A 162 6.498 -2.456 -4.360 1.00 1.51 C ATOM 0 HA PRO A 162 7.977 -0.727 -6.536 1.00 1.96 H new ATOM 0 HB2 PRO A 162 8.804 -3.515 -5.637 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.635 -1.998 -5.352 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.285 -3.119 -3.365 1.00 1.65 H new ATOM 0 HG3 PRO A 162 8.193 -1.383 -3.586 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.155 -3.489 -4.301 1.00 1.51 H new ATOM 0 HD3 PRO A 162 5.894 -1.879 -3.660 1.00 1.51 H new ATOM 207 N ASN A 163 8.675 -1.976 -8.581 1.00 2.48 N ATOM 208 CA ASN A 163 8.783 -2.443 -9.968 1.00 2.78 C ATOM 209 C ASN A 163 7.598 -1.951 -10.790 1.00 2.84 C ATOM 210 O ASN A 163 7.283 -2.501 -11.846 1.00 3.05 O ATOM 211 CB ASN A 163 8.890 -3.973 -10.053 1.00 2.88 C ATOM 212 CG ASN A 163 10.188 -4.503 -9.477 1.00 3.09 C ATOM 213 OD1 ASN A 163 10.279 -4.802 -8.286 1.00 3.40 O ATOM 214 ND2 ASN A 163 11.201 -4.628 -10.317 1.00 3.47 N ATOM 0 H ASN A 163 9.362 -1.264 -8.331 1.00 2.48 H new ATOM 0 HA ASN A 163 9.702 -2.026 -10.380 1.00 2.78 H new ATOM 0 HB2 ASN A 163 8.051 -4.422 -9.521 1.00 2.88 H new ATOM 0 HB3 ASN A 163 8.807 -4.281 -11.095 1.00 2.88 H new ATOM 0 HD21 ASN A 163 12.098 -4.983 -9.985 1.00 3.47 H new ATOM 0 HD22 ASN A 163 11.086 -4.369 -11.297 1.00 3.47 H new ATOM 221 N LYS A 164 6.945 -0.907 -10.278 1.00 2.69 N ATOM 222 CA LYS A 164 5.829 -0.244 -10.951 1.00 2.78 C ATOM 223 C LYS A 164 4.673 -1.194 -11.236 1.00 2.78 C ATOM 224 O LYS A 164 3.946 -1.036 -12.217 1.00 3.01 O ATOM 225 CB LYS A 164 6.300 0.431 -12.237 1.00 3.11 C ATOM 226 CG LYS A 164 7.265 1.573 -11.980 1.00 3.16 C ATOM 227 CD LYS A 164 6.619 2.686 -11.168 1.00 3.36 C ATOM 228 CE LYS A 164 5.445 3.312 -11.902 1.00 3.97 C ATOM 229 NZ LYS A 164 4.864 4.450 -11.146 1.00 4.66 N ATOM 0 H LYS A 164 7.179 -0.494 -9.375 1.00 2.69 H new ATOM 0 HA LYS A 164 5.454 0.518 -10.268 1.00 2.78 H new ATOM 0 HB2 LYS A 164 6.782 -0.309 -12.876 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.435 0.808 -12.783 1.00 3.11 H new ATOM 0 HG2 LYS A 164 8.140 1.197 -11.450 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.616 1.973 -12.931 1.00 3.16 H new ATOM 0 HD2 LYS A 164 6.279 2.288 -10.212 1.00 3.36 H new ATOM 0 HD3 LYS A 164 7.361 3.453 -10.948 1.00 3.36 H new ATOM 0 HE2 LYS A 164 5.772 3.657 -12.883 1.00 3.97 H new ATOM 0 HE3 LYS A 164 4.677 2.557 -12.069 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 4.066 4.850 -11.680 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 4.529 4.116 -10.220 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 5.590 5.182 -11.008 1.00 4.66 H new ATOM 243 N GLN A 165 4.508 -2.175 -10.370 1.00 2.56 N ATOM 244 CA GLN A 165 3.397 -3.088 -10.438 1.00 2.56 C ATOM 245 C GLN A 165 2.260 -2.542 -9.589 1.00 2.31 C ATOM 246 O GLN A 165 2.392 -1.464 -9.023 1.00 2.15 O ATOM 247 CB GLN A 165 3.874 -4.442 -9.934 1.00 2.53 C ATOM 248 CG GLN A 165 4.485 -5.300 -11.029 1.00 2.86 C ATOM 249 CD GLN A 165 5.475 -6.314 -10.499 1.00 3.08 C ATOM 250 OE1 GLN A 165 5.372 -6.773 -9.361 1.00 3.33 O ATOM 251 NE2 GLN A 165 6.439 -6.681 -11.326 1.00 3.57 N ATOM 0 H GLN A 165 5.148 -2.357 -9.597 1.00 2.56 H new ATOM 0 HA GLN A 165 3.030 -3.201 -11.458 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.610 -4.291 -9.145 1.00 2.53 H new ATOM 0 HB3 GLN A 165 3.034 -4.975 -9.489 1.00 2.53 H new ATOM 0 HG2 GLN A 165 3.689 -5.821 -11.562 1.00 2.86 H new ATOM 0 HG3 GLN A 165 4.985 -4.656 -11.752 1.00 2.86 H new ATOM 0 HE21 GLN A 165 6.490 -6.277 -12.261 1.00 3.57 H new ATOM 0 HE22 GLN A 165 7.132 -7.368 -11.029 1.00 3.57 H new ATOM 260 N ARG A 166 1.132 -3.230 -9.530 1.00 2.31 N ATOM 261 CA ARG A 166 0.071 -2.824 -8.634 1.00 2.09 C ATOM 262 C ARG A 166 -0.719 -4.017 -8.122 1.00 2.04 C ATOM 263 O ARG A 166 -1.136 -4.883 -8.891 1.00 2.28 O ATOM 264 CB ARG A 166 -0.852 -1.807 -9.304 1.00 2.22 C ATOM 265 CG ARG A 166 -1.506 -2.287 -10.575 1.00 2.51 C ATOM 266 CD ARG A 166 -2.339 -1.187 -11.209 1.00 2.64 C ATOM 267 NE ARG A 166 -3.068 -1.650 -12.388 1.00 2.98 N ATOM 268 CZ ARG A 166 -3.895 -0.884 -13.099 1.00 3.20 C ATOM 269 NH1 ARG A 166 -4.069 0.390 -12.774 1.00 3.17 N ATOM 270 NH2 ARG A 166 -4.542 -1.390 -14.141 1.00 3.54 N ATOM 0 H ARG A 166 0.932 -4.062 -10.086 1.00 2.31 H new ATOM 0 HA ARG A 166 0.538 -2.346 -7.773 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.631 -1.523 -8.596 1.00 2.22 H new ATOM 0 HB3 ARG A 166 -0.278 -0.907 -9.525 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -0.742 -2.620 -11.278 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.138 -3.148 -10.360 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -3.047 -0.802 -10.475 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -1.689 -0.358 -11.489 1.00 2.64 H new ATOM 0 HE ARG A 166 -2.936 -2.617 -12.684 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -3.569 0.786 -11.978 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -4.703 0.974 -13.320 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -4.407 -2.367 -14.400 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -5.174 -0.802 -14.683 1.00 3.54 H new ATOM 284 N THR A 167 -0.888 -4.069 -6.813 1.00 1.77 N ATOM 285 CA THR A 167 -1.746 -5.039 -6.183 1.00 1.75 C ATOM 286 C THR A 167 -2.820 -4.298 -5.395 1.00 1.63 C ATOM 287 O THR A 167 -2.541 -3.290 -4.750 1.00 1.62 O ATOM 288 CB THR A 167 -0.937 -5.980 -5.261 1.00 1.62 C ATOM 289 OG1 THR A 167 -1.011 -7.330 -5.738 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.414 -5.913 -3.824 1.00 1.47 C ATOM 0 H THR A 167 -0.429 -3.434 -6.160 1.00 1.77 H new ATOM 0 HA THR A 167 -2.214 -5.661 -6.946 1.00 1.75 H new ATOM 0 HB THR A 167 0.100 -5.644 -5.283 1.00 1.62 H new ATOM 0 HG1 THR A 167 -0.268 -7.850 -5.366 1.00 1.91 H new ATOM 0 HG21 THR A 167 -0.818 -6.590 -3.211 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.305 -4.895 -3.451 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.463 -6.207 -3.775 1.00 1.47 H new ATOM 298 N VAL A 168 -4.044 -4.766 -5.476 1.00 1.71 N ATOM 299 CA VAL A 168 -5.119 -4.156 -4.734 1.00 1.63 C ATOM 300 C VAL A 168 -5.272 -4.870 -3.405 1.00 1.55 C ATOM 301 O VAL A 168 -5.036 -6.070 -3.314 1.00 1.69 O ATOM 302 CB VAL A 168 -6.453 -4.210 -5.510 1.00 1.90 C ATOM 303 CG1 VAL A 168 -7.485 -3.291 -4.903 1.00 2.22 C ATOM 304 CG2 VAL A 168 -6.252 -3.885 -6.966 1.00 2.31 C ATOM 0 H VAL A 168 -4.318 -5.565 -6.047 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.871 -3.106 -4.575 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.826 -5.232 -5.436 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -8.411 -3.355 -5.475 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -7.675 -3.588 -3.871 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -7.116 -2.266 -4.924 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -7.210 -3.931 -7.485 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -5.836 -2.882 -7.061 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -5.564 -4.606 -7.408 1.00 2.31 H new ATOM 314 N VAL A 169 -5.609 -4.123 -2.375 1.00 1.38 N ATOM 315 CA VAL A 169 -5.894 -4.699 -1.074 1.00 1.41 C ATOM 316 C VAL A 169 -7.084 -3.968 -0.466 1.00 1.50 C ATOM 317 O VAL A 169 -7.139 -2.741 -0.506 1.00 1.41 O ATOM 318 CB VAL A 169 -4.661 -4.633 -0.126 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.282 -3.197 0.214 1.00 1.57 C ATOM 320 CG2 VAL A 169 -4.900 -5.441 1.143 1.00 1.67 C ATOM 0 H VAL A 169 -5.693 -3.107 -2.413 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.132 -5.755 -1.202 1.00 1.41 H new ATOM 0 HB VAL A 169 -3.822 -5.076 -0.662 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.417 -3.196 0.877 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -4.037 -2.659 -0.702 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.120 -2.707 0.710 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.022 -5.377 1.786 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -5.766 -5.042 1.671 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.083 -6.483 0.882 1.00 1.67 H new ATOM 330 N PRO A 170 -8.088 -4.707 0.032 1.00 1.73 N ATOM 331 CA PRO A 170 -9.249 -4.118 0.687 1.00 1.87 C ATOM 332 C PRO A 170 -8.846 -3.117 1.751 1.00 1.79 C ATOM 333 O PRO A 170 -7.919 -3.363 2.525 1.00 1.76 O ATOM 334 CB PRO A 170 -9.971 -5.317 1.323 1.00 2.12 C ATOM 335 CG PRO A 170 -9.053 -6.478 1.150 1.00 2.10 C ATOM 336 CD PRO A 170 -8.209 -6.161 -0.044 1.00 1.90 C ATOM 0 HA PRO A 170 -9.874 -3.566 -0.015 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.178 -5.135 2.378 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -10.929 -5.500 0.837 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.436 -6.623 2.037 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.614 -7.400 0.998 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.237 -6.652 0.004 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.682 -6.481 -0.972 1.00 1.90 H new ATOM 344 N ALA A 171 -9.529 -1.982 1.762 1.00 1.82 N ATOM 345 CA ALA A 171 -9.267 -0.938 2.740 1.00 1.82 C ATOM 346 C ALA A 171 -9.683 -1.421 4.118 1.00 2.05 C ATOM 347 O ALA A 171 -10.789 -1.147 4.588 1.00 2.28 O ATOM 348 CB ALA A 171 -9.993 0.346 2.369 1.00 1.88 C ATOM 0 H ALA A 171 -10.273 -1.760 1.100 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.199 -0.718 2.750 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -9.782 1.112 3.115 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -9.652 0.688 1.392 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.066 0.160 2.334 1.00 1.88 H new ATOM 354 N ARG A 172 -8.793 -2.173 4.734 1.00 2.03 N ATOM 355 CA ARG A 172 -9.069 -2.838 5.989 1.00 2.28 C ATOM 356 C ARG A 172 -9.314 -1.830 7.108 1.00 2.44 C ATOM 357 O ARG A 172 -8.400 -1.131 7.547 1.00 2.39 O ATOM 358 CB ARG A 172 -7.896 -3.754 6.328 1.00 2.23 C ATOM 359 CG ARG A 172 -7.686 -4.890 5.341 1.00 2.18 C ATOM 360 CD ARG A 172 -8.845 -5.869 5.339 1.00 2.43 C ATOM 361 NE ARG A 172 -8.557 -7.046 4.520 1.00 2.82 N ATOM 362 CZ ARG A 172 -9.400 -8.063 4.351 1.00 3.26 C ATOM 363 NH1 ARG A 172 -10.580 -8.058 4.949 1.00 3.26 N ATOM 364 NH2 ARG A 172 -9.052 -9.091 3.590 1.00 3.98 N ATOM 0 H ARG A 172 -7.853 -2.340 4.375 1.00 2.03 H new ATOM 0 HA ARG A 172 -9.979 -3.430 5.889 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -6.985 -3.157 6.376 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.054 -4.175 7.321 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -7.557 -4.480 4.339 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -6.766 -5.419 5.589 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -9.060 -6.181 6.361 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.740 -5.373 4.962 1.00 2.43 H new ATOM 0 HE ARG A 172 -7.654 -7.091 4.049 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -10.848 -7.273 5.543 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -11.222 -8.839 4.816 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -8.139 -9.103 3.135 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -9.697 -9.871 3.460 1.00 3.98 H new ATOM 378 N CYS A 173 -10.553 -1.771 7.569 1.00 2.68 N ATOM 379 CA CYS A 173 -10.926 -0.873 8.646 1.00 2.89 C ATOM 380 C CYS A 173 -10.598 -1.508 9.988 1.00 3.07 C ATOM 381 O CYS A 173 -11.015 -2.629 10.270 1.00 3.19 O ATOM 382 CB CYS A 173 -12.413 -0.529 8.550 1.00 3.08 C ATOM 383 SG CYS A 173 -13.488 -1.959 8.281 1.00 3.37 S ATOM 0 H CYS A 173 -11.321 -2.339 7.210 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.357 0.052 8.558 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -12.718 -0.026 9.468 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -12.559 0.180 7.735 1.00 3.08 H new ATOM 0 HG CYS A 173 -14.725 -1.566 8.216 1.00 3.37 H new ATOM 389 N GLY A 174 -9.828 -0.801 10.801 1.00 3.11 N ATOM 390 CA GLY A 174 -9.356 -1.370 12.044 1.00 3.31 C ATOM 391 C GLY A 174 -8.021 -2.045 11.843 1.00 3.16 C ATOM 392 O GLY A 174 -7.455 -2.634 12.765 1.00 3.34 O ATOM 0 H GLY A 174 -9.522 0.155 10.622 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -9.265 -0.588 12.797 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -10.082 -2.091 12.420 1.00 3.31 H new ATOM 396 N VAL A 175 -7.529 -1.952 10.616 1.00 2.87 N ATOM 397 CA VAL A 175 -6.259 -2.535 10.229 1.00 2.70 C ATOM 398 C VAL A 175 -5.318 -1.437 9.770 1.00 2.51 C ATOM 399 O VAL A 175 -5.756 -0.389 9.293 1.00 2.45 O ATOM 400 CB VAL A 175 -6.455 -3.572 9.105 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.132 -4.152 8.630 1.00 2.60 C ATOM 402 CG2 VAL A 175 -7.347 -4.698 9.582 1.00 2.77 C ATOM 0 H VAL A 175 -8.006 -1.465 9.857 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.828 -3.045 11.090 1.00 2.70 H new ATOM 0 HB VAL A 175 -6.922 -3.054 8.267 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.316 -4.878 7.838 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -4.500 -3.351 8.248 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.630 -4.644 9.463 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -7.478 -5.424 8.779 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -6.888 -5.187 10.442 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -8.319 -4.296 9.869 1.00 2.77 H new ATOM 412 N THR A 176 -4.033 -1.669 9.926 1.00 2.46 N ATOM 413 CA THR A 176 -3.043 -0.680 9.583 1.00 2.32 C ATOM 414 C THR A 176 -2.499 -0.962 8.196 1.00 1.98 C ATOM 415 O THR A 176 -2.685 -2.062 7.663 1.00 1.90 O ATOM 416 CB THR A 176 -1.881 -0.674 10.594 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.360 -2.003 10.755 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.328 -0.137 11.946 1.00 2.83 C ATOM 0 H THR A 176 -3.651 -2.541 10.291 1.00 2.46 H new ATOM 0 HA THR A 176 -3.523 0.298 9.606 1.00 2.32 H new ATOM 0 HB THR A 176 -1.102 -0.019 10.203 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.862 -2.059 11.597 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.485 -0.146 12.638 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.692 0.884 11.830 1.00 2.83 H new ATOM 0 HG23 THR A 176 -3.127 -0.764 12.340 1.00 2.83 H new ATOM 426 N VAL A 177 -1.843 0.024 7.616 1.00 1.82 N ATOM 427 CA VAL A 177 -1.136 -0.161 6.360 1.00 1.52 C ATOM 428 C VAL A 177 -0.201 -1.358 6.473 1.00 1.52 C ATOM 429 O VAL A 177 0.021 -2.080 5.511 1.00 1.33 O ATOM 430 CB VAL A 177 -0.310 1.090 6.013 1.00 1.45 C ATOM 431 CG1 VAL A 177 0.253 1.012 4.611 1.00 1.78 C ATOM 432 CG2 VAL A 177 -1.143 2.341 6.194 1.00 1.92 C ATOM 0 H VAL A 177 -1.784 0.969 7.996 1.00 1.82 H new ATOM 0 HA VAL A 177 -1.870 -0.332 5.572 1.00 1.52 H new ATOM 0 HB VAL A 177 0.535 1.135 6.700 1.00 1.45 H new ATOM 0 HG11 VAL A 177 0.830 1.912 4.400 1.00 1.78 H new ATOM 0 HG12 VAL A 177 0.899 0.138 4.526 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -0.564 0.929 3.895 1.00 1.78 H new ATOM 0 HG21 VAL A 177 -0.544 3.217 5.944 1.00 1.92 H new ATOM 0 HG22 VAL A 177 -2.012 2.297 5.538 1.00 1.92 H new ATOM 0 HG23 VAL A 177 -1.474 2.411 7.230 1.00 1.92 H new ATOM 442 N ARG A 178 0.312 -1.567 7.679 1.00 1.79 N ATOM 443 CA ARG A 178 1.205 -2.667 7.976 1.00 1.88 C ATOM 444 C ARG A 178 0.630 -4.013 7.555 1.00 1.85 C ATOM 445 O ARG A 178 1.275 -4.752 6.823 1.00 1.73 O ATOM 446 CB ARG A 178 1.522 -2.666 9.472 1.00 2.23 C ATOM 447 CG ARG A 178 2.424 -3.798 9.913 1.00 2.43 C ATOM 448 CD ARG A 178 3.686 -3.850 9.077 1.00 2.70 C ATOM 449 NE ARG A 178 4.590 -4.913 9.510 1.00 3.12 N ATOM 450 CZ ARG A 178 5.909 -4.768 9.646 1.00 3.76 C ATOM 451 NH1 ARG A 178 6.491 -3.604 9.370 1.00 4.24 N ATOM 452 NH2 ARG A 178 6.645 -5.791 10.060 1.00 4.27 N ATOM 0 H ARG A 178 0.115 -0.969 8.482 1.00 1.79 H new ATOM 0 HA ARG A 178 2.119 -2.524 7.399 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.993 -1.718 9.732 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.588 -2.722 10.031 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.685 -3.670 10.963 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.891 -4.745 9.830 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.421 -4.004 8.031 1.00 2.70 H new ATOM 0 HD3 ARG A 178 4.200 -2.891 9.138 1.00 2.70 H new ATOM 0 HE ARG A 178 4.186 -5.825 9.722 1.00 3.12 H new ATOM 0 HH11 ARG A 178 5.928 -2.815 9.052 1.00 4.24 H new ATOM 0 HH12 ARG A 178 7.500 -3.500 9.476 1.00 4.24 H new ATOM 0 HH21 ARG A 178 6.202 -6.685 10.273 1.00 4.27 H new ATOM 0 HH22 ARG A 178 7.654 -5.684 10.165 1.00 4.27 H new ATOM 466 N ASP A 179 -0.575 -4.324 8.005 1.00 2.00 N ATOM 467 CA ASP A 179 -1.166 -5.631 7.750 1.00 2.07 C ATOM 468 C ASP A 179 -1.628 -5.738 6.308 1.00 1.81 C ATOM 469 O ASP A 179 -1.412 -6.749 5.635 1.00 1.77 O ATOM 470 CB ASP A 179 -2.358 -5.862 8.668 1.00 2.32 C ATOM 471 CG ASP A 179 -2.576 -7.328 8.965 1.00 2.51 C ATOM 472 OD1 ASP A 179 -1.933 -7.842 9.906 1.00 2.78 O ATOM 473 OD2 ASP A 179 -3.391 -7.969 8.268 1.00 2.87 O ATOM 0 H ASP A 179 -1.163 -3.692 8.548 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.403 -6.386 7.942 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.204 -5.323 9.603 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.255 -5.450 8.206 1.00 2.32 H new ATOM 478 N SER A 180 -2.255 -4.677 5.835 1.00 1.66 N ATOM 479 CA SER A 180 -2.819 -4.660 4.505 1.00 1.46 C ATOM 480 C SER A 180 -1.726 -4.712 3.437 1.00 1.22 C ATOM 481 O SER A 180 -1.775 -5.541 2.522 1.00 1.22 O ATOM 482 CB SER A 180 -3.709 -3.434 4.368 1.00 1.40 C ATOM 483 OG SER A 180 -4.884 -3.602 5.132 1.00 1.99 O ATOM 0 H SER A 180 -2.385 -3.812 6.359 1.00 1.66 H new ATOM 0 HA SER A 180 -3.428 -5.550 4.350 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.172 -2.546 4.702 1.00 1.40 H new ATOM 0 HB3 SER A 180 -3.966 -3.276 3.321 1.00 1.40 H new ATOM 0 HG SER A 180 -4.693 -3.408 6.073 1.00 1.99 H new ATOM 489 N LEU A 181 -0.729 -3.851 3.559 1.00 1.10 N ATOM 490 CA LEU A 181 0.417 -3.906 2.690 1.00 0.92 C ATOM 491 C LEU A 181 1.257 -5.152 2.933 1.00 1.10 C ATOM 492 O LEU A 181 1.978 -5.580 2.042 1.00 1.07 O ATOM 493 CB LEU A 181 1.267 -2.673 2.845 1.00 0.85 C ATOM 494 CG LEU A 181 1.280 -1.842 1.598 1.00 0.68 C ATOM 495 CD1 LEU A 181 0.394 -0.632 1.726 1.00 0.94 C ATOM 496 CD2 LEU A 181 2.690 -1.515 1.202 1.00 1.34 C ATOM 0 H LEU A 181 -0.698 -3.107 4.256 1.00 1.10 H new ATOM 0 HA LEU A 181 0.040 -3.952 1.668 1.00 0.92 H new ATOM 0 HB2 LEU A 181 0.891 -2.075 3.675 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.287 -2.964 3.098 1.00 0.85 H new ATOM 0 HG LEU A 181 0.853 -2.425 0.782 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.430 -0.055 0.802 1.00 0.94 H new ATOM 0 HD12 LEU A 181 -0.631 -0.950 1.915 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.740 -0.013 2.554 1.00 0.94 H new ATOM 0 HD21 LEU A 181 2.682 -0.911 0.295 1.00 1.34 H new ATOM 0 HD22 LEU A 181 3.173 -0.958 2.005 1.00 1.34 H new ATOM 0 HD23 LEU A 181 3.240 -2.438 1.019 1.00 1.34 H new ATOM 508 N LYS A 182 1.170 -5.741 4.129 1.00 1.35 N ATOM 509 CA LYS A 182 1.896 -6.978 4.403 1.00 1.55 C ATOM 510 C LYS A 182 1.503 -8.024 3.370 1.00 1.54 C ATOM 511 O LYS A 182 2.354 -8.718 2.821 1.00 1.58 O ATOM 512 CB LYS A 182 1.626 -7.478 5.834 1.00 1.84 C ATOM 513 CG LYS A 182 1.033 -8.877 5.918 1.00 2.25 C ATOM 514 CD LYS A 182 0.735 -9.286 7.353 1.00 2.48 C ATOM 515 CE LYS A 182 1.993 -9.294 8.207 1.00 2.59 C ATOM 516 NZ LYS A 182 1.732 -9.819 9.573 1.00 3.08 N ATOM 0 H LYS A 182 0.614 -5.387 4.908 1.00 1.35 H new ATOM 0 HA LYS A 182 2.967 -6.788 4.331 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.562 -7.461 6.393 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.948 -6.781 6.326 1.00 1.84 H new ATOM 0 HG2 LYS A 182 0.115 -8.917 5.332 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.726 -9.592 5.474 1.00 2.25 H new ATOM 0 HD2 LYS A 182 0.007 -8.599 7.784 1.00 2.48 H new ATOM 0 HD3 LYS A 182 0.282 -10.277 7.363 1.00 2.48 H new ATOM 0 HE2 LYS A 182 2.756 -9.904 7.723 1.00 2.59 H new ATOM 0 HE3 LYS A 182 2.391 -8.282 8.277 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 2.614 -9.808 10.124 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 1.022 -9.223 10.044 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 1.377 -10.794 9.508 1.00 3.08 H new ATOM 530 N LYS A 183 0.206 -8.096 3.087 1.00 1.56 N ATOM 531 CA LYS A 183 -0.296 -8.957 2.028 1.00 1.62 C ATOM 532 C LYS A 183 0.253 -8.505 0.683 1.00 1.47 C ATOM 533 O LYS A 183 0.761 -9.310 -0.094 1.00 1.59 O ATOM 534 CB LYS A 183 -1.822 -8.918 1.986 1.00 1.72 C ATOM 535 CG LYS A 183 -2.425 -9.797 0.903 1.00 1.85 C ATOM 536 CD LYS A 183 -3.802 -9.301 0.494 1.00 1.95 C ATOM 537 CE LYS A 183 -4.581 -10.363 -0.261 1.00 2.25 C ATOM 538 NZ LYS A 183 -4.934 -11.516 0.609 1.00 2.75 N ATOM 0 H LYS A 183 -0.515 -7.567 3.578 1.00 1.56 H new ATOM 0 HA LYS A 183 0.031 -9.977 2.232 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.212 -9.231 2.955 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.146 -7.889 1.829 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -1.767 -9.810 0.034 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.498 -10.823 1.263 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.360 -9.003 1.382 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -3.698 -8.413 -0.130 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -5.492 -9.924 -0.669 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -3.990 -10.714 -1.107 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -5.736 -12.031 0.194 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -4.117 -12.154 0.689 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -5.196 -11.170 1.554 1.00 2.75 H new ATOM 552 N ALA A 184 0.150 -7.205 0.431 1.00 1.26 N ATOM 553 CA ALA A 184 0.573 -6.619 -0.835 1.00 1.18 C ATOM 554 C ALA A 184 2.006 -7.007 -1.189 1.00 1.25 C ATOM 555 O ALA A 184 2.277 -7.473 -2.299 1.00 1.43 O ATOM 556 CB ALA A 184 0.426 -5.106 -0.782 1.00 0.93 C ATOM 0 H ALA A 184 -0.228 -6.530 1.096 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.072 -7.015 -1.619 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.744 -4.676 -1.732 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -0.617 -4.848 -0.598 1.00 0.93 H new ATOM 0 HB3 ALA A 184 1.045 -4.708 0.022 1.00 0.93 H new ATOM 562 N LEU A 185 2.916 -6.826 -0.243 1.00 1.18 N ATOM 563 CA LEU A 185 4.307 -7.195 -0.446 1.00 1.30 C ATOM 564 C LEU A 185 4.452 -8.707 -0.544 1.00 1.54 C ATOM 565 O LEU A 185 5.018 -9.219 -1.511 1.00 1.70 O ATOM 566 CB LEU A 185 5.193 -6.670 0.691 1.00 1.28 C ATOM 567 CG LEU A 185 5.540 -5.184 0.668 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.487 -4.613 -0.736 1.00 1.69 C ATOM 569 CD2 LEU A 185 4.647 -4.432 1.614 1.00 1.54 C ATOM 0 H LEU A 185 2.715 -6.425 0.673 1.00 1.18 H new ATOM 0 HA LEU A 185 4.633 -6.740 -1.381 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.696 -6.887 1.636 1.00 1.28 H new ATOM 0 HB3 LEU A 185 6.125 -7.236 0.684 1.00 1.28 H new ATOM 0 HG LEU A 185 6.570 -5.068 1.006 1.00 1.20 H new ATOM 0 HD11 LEU A 185 5.740 -3.553 -0.708 1.00 1.69 H new ATOM 0 HD12 LEU A 185 6.200 -5.140 -1.370 1.00 1.69 H new ATOM 0 HD13 LEU A 185 4.482 -4.735 -1.141 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.902 -3.373 1.591 1.00 1.54 H new ATOM 0 HD22 LEU A 185 3.607 -4.562 1.313 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.783 -4.816 2.625 1.00 1.54 H new ATOM 581 N MET A 186 3.917 -9.416 0.446 1.00 1.61 N ATOM 582 CA MET A 186 4.077 -10.868 0.540 1.00 1.84 C ATOM 583 C MET A 186 3.580 -11.599 -0.703 1.00 1.98 C ATOM 584 O MET A 186 4.103 -12.660 -1.043 1.00 2.18 O ATOM 585 CB MET A 186 3.364 -11.413 1.775 1.00 1.94 C ATOM 586 CG MET A 186 4.161 -11.265 3.064 1.00 1.99 C ATOM 587 SD MET A 186 5.136 -12.733 3.471 1.00 2.29 S ATOM 588 CE MET A 186 6.345 -12.750 2.147 1.00 2.25 C ATOM 0 H MET A 186 3.365 -9.007 1.200 1.00 1.61 H new ATOM 0 HA MET A 186 5.148 -11.053 0.623 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.410 -10.898 1.888 1.00 1.94 H new ATOM 0 HB3 MET A 186 3.140 -12.468 1.617 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.828 -10.407 2.975 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.476 -11.053 3.885 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.124 -13.478 2.375 1.00 2.25 H new ATOM 0 HE2 MET A 186 5.856 -13.022 1.212 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.791 -11.760 2.049 1.00 2.25 H new ATOM 598 N MET A 187 2.591 -11.039 -1.390 1.00 1.91 N ATOM 599 CA MET A 187 2.060 -11.682 -2.588 1.00 2.11 C ATOM 600 C MET A 187 3.094 -11.629 -3.706 1.00 2.24 C ATOM 601 O MET A 187 3.287 -12.602 -4.433 1.00 2.50 O ATOM 602 CB MET A 187 0.745 -11.043 -3.055 1.00 2.07 C ATOM 603 CG MET A 187 -0.418 -11.240 -2.091 1.00 2.07 C ATOM 604 SD MET A 187 -2.022 -11.211 -2.913 1.00 2.22 S ATOM 605 CE MET A 187 -2.119 -9.496 -3.404 1.00 1.99 C ATOM 0 H MET A 187 2.146 -10.155 -1.144 1.00 1.91 H new ATOM 0 HA MET A 187 1.844 -12.720 -2.335 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.904 -9.975 -3.202 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.474 -11.461 -4.025 1.00 2.07 H new ATOM 0 HG2 MET A 187 -0.297 -12.192 -1.574 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.390 -10.459 -1.331 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.059 -9.320 -3.927 1.00 1.99 H new ATOM 0 HE2 MET A 187 -2.071 -8.861 -2.519 1.00 1.99 H new ATOM 0 HE3 MET A 187 -1.286 -9.259 -4.066 1.00 1.99 H new ATOM 615 N ARG A 188 3.767 -10.491 -3.819 1.00 2.10 N ATOM 616 CA ARG A 188 4.823 -10.309 -4.805 1.00 2.26 C ATOM 617 C ARG A 188 6.092 -11.046 -4.390 1.00 2.31 C ATOM 618 O ARG A 188 6.950 -11.346 -5.220 1.00 2.49 O ATOM 619 CB ARG A 188 5.123 -8.822 -4.956 1.00 2.17 C ATOM 620 CG ARG A 188 3.966 -8.007 -5.511 1.00 2.35 C ATOM 621 CD ARG A 188 3.821 -8.154 -7.022 1.00 2.34 C ATOM 622 NE ARG A 188 3.493 -9.519 -7.438 1.00 2.97 N ATOM 623 CZ ARG A 188 3.725 -10.001 -8.659 1.00 3.63 C ATOM 624 NH1 ARG A 188 4.317 -9.251 -9.576 1.00 3.90 N ATOM 625 NH2 ARG A 188 3.376 -11.242 -8.960 1.00 4.43 N ATOM 0 H ARG A 188 3.597 -9.673 -3.233 1.00 2.10 H new ATOM 0 HA ARG A 188 4.483 -10.720 -5.756 1.00 2.26 H new ATOM 0 HB2 ARG A 188 5.403 -8.419 -3.983 1.00 2.17 H new ATOM 0 HB3 ARG A 188 5.985 -8.701 -5.612 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.040 -8.320 -5.028 1.00 2.35 H new ATOM 0 HG3 ARG A 188 4.115 -6.956 -5.264 1.00 2.35 H new ATOM 0 HD2 ARG A 188 3.043 -7.477 -7.374 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.751 -7.848 -7.502 1.00 2.34 H new ATOM 0 HE ARG A 188 3.061 -10.138 -6.752 1.00 2.97 H new ATOM 0 HH11 ARG A 188 4.599 -8.297 -9.350 1.00 3.90 H new ATOM 0 HH12 ARG A 188 4.491 -9.627 -10.508 1.00 3.90 H new ATOM 0 HH21 ARG A 188 2.929 -11.831 -8.257 1.00 4.43 H new ATOM 0 HH22 ARG A 188 3.554 -11.609 -9.895 1.00 4.43 H new ATOM 639 N GLY A 189 6.196 -11.342 -3.103 1.00 2.21 N ATOM 640 CA GLY A 189 7.390 -11.969 -2.575 1.00 2.31 C ATOM 641 C GLY A 189 8.261 -10.979 -1.829 1.00 2.19 C ATOM 642 O GLY A 189 9.431 -11.244 -1.556 1.00 2.31 O ATOM 0 H GLY A 189 5.470 -11.158 -2.411 1.00 2.21 H new ATOM 0 HA2 GLY A 189 7.108 -12.782 -1.906 1.00 2.31 H new ATOM 0 HA3 GLY A 189 7.960 -12.412 -3.392 1.00 2.31 H new ATOM 646 N LEU A 190 7.677 -9.836 -1.501 1.00 1.98 N ATOM 647 CA LEU A 190 8.381 -8.787 -0.775 1.00 1.90 C ATOM 648 C LEU A 190 7.930 -8.758 0.679 1.00 1.80 C ATOM 649 O LEU A 190 7.048 -9.519 1.077 1.00 1.79 O ATOM 650 CB LEU A 190 8.122 -7.414 -1.410 1.00 1.80 C ATOM 651 CG LEU A 190 8.912 -7.091 -2.682 1.00 2.15 C ATOM 652 CD1 LEU A 190 8.428 -7.913 -3.862 1.00 2.28 C ATOM 653 CD2 LEU A 190 8.792 -5.618 -2.996 1.00 2.37 C ATOM 0 H LEU A 190 6.709 -9.609 -1.728 1.00 1.98 H new ATOM 0 HA LEU A 190 9.448 -9.005 -0.823 1.00 1.90 H new ATOM 0 HB2 LEU A 190 7.059 -7.339 -1.640 1.00 1.80 H new ATOM 0 HB3 LEU A 190 8.342 -6.647 -0.667 1.00 1.80 H new ATOM 0 HG LEU A 190 9.957 -7.345 -2.505 1.00 2.15 H new ATOM 0 HD11 LEU A 190 9.011 -7.658 -4.747 1.00 2.28 H new ATOM 0 HD12 LEU A 190 8.550 -8.973 -3.641 1.00 2.28 H new ATOM 0 HD13 LEU A 190 7.375 -7.699 -4.047 1.00 2.28 H new ATOM 0 HD21 LEU A 190 9.355 -5.392 -3.901 1.00 2.37 H new ATOM 0 HD22 LEU A 190 7.743 -5.363 -3.148 1.00 2.37 H new ATOM 0 HD23 LEU A 190 9.191 -5.035 -2.166 1.00 2.37 H new ATOM 665 N ILE A 191 8.534 -7.881 1.463 1.00 1.81 N ATOM 666 CA ILE A 191 8.141 -7.692 2.846 1.00 1.83 C ATOM 667 C ILE A 191 8.011 -6.211 3.168 1.00 1.70 C ATOM 668 O ILE A 191 8.754 -5.377 2.648 1.00 1.69 O ATOM 669 CB ILE A 191 9.137 -8.321 3.837 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.570 -7.903 3.509 1.00 2.17 C ATOM 671 CG2 ILE A 191 8.993 -9.834 3.848 1.00 2.25 C ATOM 672 CD1 ILE A 191 11.526 -8.120 4.651 1.00 2.42 C ATOM 0 H ILE A 191 9.304 -7.285 1.160 1.00 1.81 H new ATOM 0 HA ILE A 191 7.180 -8.194 2.959 1.00 1.83 H new ATOM 0 HB ILE A 191 8.907 -7.953 4.837 1.00 2.08 H new ATOM 0 HG12 ILE A 191 10.916 -8.465 2.642 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.580 -6.849 3.230 1.00 2.17 H new ATOM 0 HG21 ILE A 191 9.705 -10.262 4.554 1.00 2.25 H new ATOM 0 HG22 ILE A 191 7.980 -10.101 4.148 1.00 2.25 H new ATOM 0 HG23 ILE A 191 9.191 -10.226 2.850 1.00 2.25 H new ATOM 0 HD11 ILE A 191 12.526 -7.803 4.354 1.00 2.42 H new ATOM 0 HD12 ILE A 191 11.202 -7.537 5.513 1.00 2.42 H new ATOM 0 HD13 ILE A 191 11.544 -9.177 4.915 1.00 2.42 H new ATOM 684 N PRO A 192 7.052 -5.884 4.044 1.00 1.68 N ATOM 685 CA PRO A 192 6.761 -4.505 4.470 1.00 1.62 C ATOM 686 C PRO A 192 7.940 -3.817 5.157 1.00 1.81 C ATOM 687 O PRO A 192 7.903 -2.614 5.410 1.00 1.84 O ATOM 688 CB PRO A 192 5.598 -4.671 5.460 1.00 1.67 C ATOM 689 CG PRO A 192 5.625 -6.108 5.857 1.00 1.84 C ATOM 690 CD PRO A 192 6.145 -6.854 4.671 1.00 1.78 C ATOM 0 HA PRO A 192 6.535 -3.871 3.612 1.00 1.62 H new ATOM 0 HB2 PRO A 192 5.722 -4.021 6.326 1.00 1.67 H new ATOM 0 HB3 PRO A 192 4.647 -4.408 4.998 1.00 1.67 H new ATOM 0 HG2 PRO A 192 6.266 -6.261 6.725 1.00 1.84 H new ATOM 0 HG3 PRO A 192 4.629 -6.456 6.131 1.00 1.84 H new ATOM 0 HD2 PRO A 192 6.668 -7.765 4.964 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.342 -7.150 3.996 1.00 1.78 H new ATOM 698 N GLU A 193 8.980 -4.582 5.465 1.00 2.01 N ATOM 699 CA GLU A 193 10.166 -4.036 6.111 1.00 2.24 C ATOM 700 C GLU A 193 11.103 -3.423 5.078 1.00 2.20 C ATOM 701 O GLU A 193 11.890 -2.533 5.391 1.00 2.35 O ATOM 702 CB GLU A 193 10.905 -5.129 6.881 1.00 2.47 C ATOM 703 CG GLU A 193 10.007 -5.944 7.790 1.00 2.64 C ATOM 704 CD GLU A 193 10.763 -7.018 8.537 1.00 2.94 C ATOM 705 OE1 GLU A 193 10.758 -8.177 8.083 1.00 3.24 O ATOM 706 OE2 GLU A 193 11.378 -6.706 9.579 1.00 3.32 O ATOM 0 H GLU A 193 9.026 -5.584 5.277 1.00 2.01 H new ATOM 0 HA GLU A 193 9.845 -3.261 6.807 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.391 -5.797 6.170 1.00 2.47 H new ATOM 0 HB3 GLU A 193 11.693 -4.671 7.478 1.00 2.47 H new ATOM 0 HG2 GLU A 193 9.522 -5.281 8.506 1.00 2.64 H new ATOM 0 HG3 GLU A 193 9.217 -6.405 7.197 1.00 2.64 H new ATOM 713 N CYS A 194 11.015 -3.911 3.849 1.00 2.09 N ATOM 714 CA CYS A 194 11.894 -3.452 2.783 1.00 2.14 C ATOM 715 C CYS A 194 11.122 -2.671 1.721 1.00 1.95 C ATOM 716 O CYS A 194 11.422 -2.757 0.530 1.00 2.06 O ATOM 717 CB CYS A 194 12.615 -4.644 2.151 1.00 2.29 C ATOM 718 SG CYS A 194 13.602 -5.608 3.320 1.00 2.85 S ATOM 0 H CYS A 194 10.344 -4.625 3.565 1.00 2.09 H new ATOM 0 HA CYS A 194 12.632 -2.778 3.218 1.00 2.14 H new ATOM 0 HB2 CYS A 194 11.877 -5.299 1.688 1.00 2.29 H new ATOM 0 HB3 CYS A 194 13.265 -4.282 1.354 1.00 2.29 H new ATOM 0 HG CYS A 194 14.172 -6.595 2.696 1.00 2.85 H new ATOM 724 N CYS A 195 10.129 -1.906 2.163 1.00 1.74 N ATOM 725 CA CYS A 195 9.332 -1.066 1.275 1.00 1.57 C ATOM 726 C CYS A 195 8.777 0.135 2.052 1.00 1.53 C ATOM 727 O CYS A 195 8.763 0.121 3.283 1.00 1.63 O ATOM 728 CB CYS A 195 8.179 -1.875 0.664 1.00 1.38 C ATOM 729 SG CYS A 195 8.704 -3.180 -0.470 1.00 1.62 S ATOM 0 H CYS A 195 9.854 -1.851 3.144 1.00 1.74 H new ATOM 0 HA CYS A 195 9.970 -0.706 0.468 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.598 -2.323 1.470 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.515 -1.194 0.132 1.00 1.38 H new ATOM 0 HG CYS A 195 9.987 -3.358 -0.362 1.00 1.62 H new ATOM 735 N ALA A 196 8.335 1.169 1.337 1.00 1.46 N ATOM 736 CA ALA A 196 7.723 2.344 1.961 1.00 1.48 C ATOM 737 C ALA A 196 6.404 2.672 1.292 1.00 1.27 C ATOM 738 O ALA A 196 6.247 2.435 0.111 1.00 1.25 O ATOM 739 CB ALA A 196 8.631 3.560 1.875 1.00 1.73 C ATOM 0 H ALA A 196 8.389 1.218 0.320 1.00 1.46 H new ATOM 0 HA ALA A 196 7.559 2.101 3.011 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.143 4.412 2.348 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.570 3.349 2.386 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.831 3.791 0.829 1.00 1.73 H new ATOM 745 N VAL A 197 5.460 3.236 2.020 1.00 1.22 N ATOM 746 CA VAL A 197 4.176 3.540 1.423 1.00 1.03 C ATOM 747 C VAL A 197 4.000 5.036 1.224 1.00 1.17 C ATOM 748 O VAL A 197 4.214 5.834 2.130 1.00 1.38 O ATOM 749 CB VAL A 197 3.019 2.949 2.245 1.00 0.96 C ATOM 750 CG1 VAL A 197 1.669 3.224 1.595 1.00 1.34 C ATOM 751 CG2 VAL A 197 3.236 1.462 2.407 1.00 1.38 C ATOM 0 H VAL A 197 5.554 3.488 3.004 1.00 1.22 H new ATOM 0 HA VAL A 197 4.154 3.070 0.440 1.00 1.03 H new ATOM 0 HB VAL A 197 3.008 3.429 3.224 1.00 0.96 H new ATOM 0 HG11 VAL A 197 0.876 2.791 2.205 1.00 1.34 H new ATOM 0 HG12 VAL A 197 1.517 4.300 1.513 1.00 1.34 H new ATOM 0 HG13 VAL A 197 1.646 2.778 0.601 1.00 1.34 H new ATOM 0 HG21 VAL A 197 2.419 1.036 2.989 1.00 1.38 H new ATOM 0 HG22 VAL A 197 3.266 0.990 1.425 1.00 1.38 H new ATOM 0 HG23 VAL A 197 4.180 1.286 2.924 1.00 1.38 H new ATOM 761 N TYR A 198 3.652 5.386 0.002 1.00 1.15 N ATOM 762 CA TYR A 198 3.447 6.757 -0.419 1.00 1.34 C ATOM 763 C TYR A 198 2.107 6.888 -1.124 1.00 1.26 C ATOM 764 O TYR A 198 1.468 5.888 -1.463 1.00 1.14 O ATOM 765 CB TYR A 198 4.527 7.174 -1.414 1.00 1.63 C ATOM 766 CG TYR A 198 5.852 7.559 -0.814 1.00 1.72 C ATOM 767 CD1 TYR A 198 6.264 8.877 -0.842 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.702 6.613 -0.259 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.487 9.253 -0.337 1.00 2.34 C ATOM 770 CE2 TYR A 198 7.929 6.978 0.258 1.00 2.18 C ATOM 771 CZ TYR A 198 8.319 8.300 0.215 1.00 2.48 C ATOM 772 OH TYR A 198 9.542 8.670 0.723 1.00 2.99 O ATOM 0 H TYR A 198 3.500 4.708 -0.744 1.00 1.15 H new ATOM 0 HA TYR A 198 3.482 7.389 0.469 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.690 6.352 -2.111 1.00 1.63 H new ATOM 0 HB3 TYR A 198 4.154 8.017 -1.996 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.614 9.626 -1.268 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.399 5.577 -0.231 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.794 10.288 -0.372 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.579 6.233 0.693 1.00 2.18 H new ATOM 0 HH TYR A 198 10.003 7.880 1.075 1.00 2.99 H new ATOM 782 N ARG A 199 1.698 8.117 -1.355 1.00 1.43 N ATOM 783 CA ARG A 199 0.543 8.395 -2.188 1.00 1.48 C ATOM 784 C ARG A 199 0.748 9.706 -2.926 1.00 1.74 C ATOM 785 O ARG A 199 1.167 10.699 -2.336 1.00 1.91 O ATOM 786 CB ARG A 199 -0.748 8.426 -1.368 1.00 1.43 C ATOM 787 CG ARG A 199 -0.674 9.284 -0.118 1.00 1.49 C ATOM 788 CD ARG A 199 -2.020 9.342 0.577 1.00 1.54 C ATOM 789 NE ARG A 199 -2.980 10.128 -0.194 1.00 1.88 N ATOM 790 CZ ARG A 199 -4.278 9.851 -0.293 1.00 2.06 C ATOM 791 NH1 ARG A 199 -4.801 8.815 0.352 1.00 2.20 N ATOM 792 NH2 ARG A 199 -5.054 10.617 -1.045 1.00 2.64 N ATOM 0 H ARG A 199 2.152 8.948 -0.975 1.00 1.43 H new ATOM 0 HA ARG A 199 0.442 7.589 -2.915 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.557 8.794 -1.999 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -1.006 7.407 -1.080 1.00 1.43 H new ATOM 0 HG2 ARG A 199 0.074 8.878 0.563 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.352 10.292 -0.382 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -2.403 8.331 0.718 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -1.902 9.779 1.569 1.00 1.54 H new ATOM 0 HE ARG A 199 -2.631 10.947 -0.692 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -4.207 8.222 0.931 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -5.797 8.612 0.269 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -4.656 11.413 -1.543 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -6.050 10.411 -1.126 1.00 2.64 H new ATOM 806 N ILE A 200 0.482 9.704 -4.219 1.00 1.86 N ATOM 807 CA ILE A 200 0.732 10.874 -5.043 1.00 2.14 C ATOM 808 C ILE A 200 -0.495 11.766 -5.083 1.00 2.23 C ATOM 809 O ILE A 200 -1.595 11.329 -5.424 1.00 2.21 O ATOM 810 CB ILE A 200 1.174 10.487 -6.484 1.00 2.31 C ATOM 811 CG1 ILE A 200 2.689 10.231 -6.554 1.00 2.35 C ATOM 812 CG2 ILE A 200 0.800 11.577 -7.487 1.00 2.60 C ATOM 813 CD1 ILE A 200 3.258 9.435 -5.399 1.00 2.31 C ATOM 0 H ILE A 200 0.093 8.906 -4.722 1.00 1.86 H new ATOM 0 HA ILE A 200 1.555 11.425 -4.588 1.00 2.14 H new ATOM 0 HB ILE A 200 0.647 9.568 -6.743 1.00 2.31 H new ATOM 0 HG12 ILE A 200 2.911 9.705 -7.482 1.00 2.35 H new ATOM 0 HG13 ILE A 200 3.203 11.191 -6.602 1.00 2.35 H new ATOM 0 HG21 ILE A 200 1.121 11.279 -8.485 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -0.280 11.721 -7.482 1.00 2.60 H new ATOM 0 HG23 ILE A 200 1.292 12.510 -7.211 1.00 2.60 H new ATOM 0 HD11 ILE A 200 4.331 9.307 -5.539 1.00 2.31 H new ATOM 0 HD12 ILE A 200 3.075 9.967 -4.465 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.778 8.457 -5.360 1.00 2.31 H new ATOM 825 N GLN A 201 -0.302 13.006 -4.686 1.00 2.38 N ATOM 826 CA GLN A 201 -1.341 13.995 -4.735 1.00 2.53 C ATOM 827 C GLN A 201 -1.059 14.957 -5.880 1.00 2.80 C ATOM 828 O GLN A 201 -0.519 14.535 -6.895 1.00 2.86 O ATOM 829 CB GLN A 201 -1.417 14.709 -3.394 1.00 2.58 C ATOM 830 CG GLN A 201 -2.419 14.081 -2.443 1.00 2.68 C ATOM 831 CD GLN A 201 -2.598 14.881 -1.173 1.00 2.82 C ATOM 832 OE1 GLN A 201 -1.930 14.640 -0.170 1.00 3.03 O ATOM 833 NE2 GLN A 201 -3.494 15.849 -1.213 1.00 3.22 N ATOM 0 H GLN A 201 0.585 13.351 -4.320 1.00 2.38 H new ATOM 0 HA GLN A 201 -2.310 13.530 -4.919 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -0.431 14.703 -2.929 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -1.686 15.752 -3.559 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.381 13.986 -2.946 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -2.091 13.073 -2.189 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -4.027 16.015 -2.066 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -3.653 16.431 -0.391 1.00 3.22 H new ATOM 842 N ASP A 202 -1.427 16.226 -5.716 1.00 2.99 N ATOM 843 CA ASP A 202 -1.204 17.275 -6.724 1.00 3.26 C ATOM 844 C ASP A 202 0.237 17.297 -7.251 1.00 3.36 C ATOM 845 O ASP A 202 1.066 18.084 -6.791 1.00 3.48 O ATOM 846 CB ASP A 202 -1.512 18.626 -6.096 1.00 3.44 C ATOM 847 CG ASP A 202 -1.407 19.773 -7.079 1.00 3.72 C ATOM 848 OD1 ASP A 202 -0.558 20.664 -6.869 1.00 3.97 O ATOM 849 OD2 ASP A 202 -2.168 19.787 -8.068 1.00 4.02 O ATOM 0 H ASP A 202 -1.893 16.564 -4.874 1.00 2.99 H new ATOM 0 HA ASP A 202 -1.859 17.063 -7.569 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -2.518 18.605 -5.677 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -0.825 18.801 -5.268 1.00 3.44 H new ATOM 854 N GLY A 203 0.526 16.422 -8.208 1.00 3.34 N ATOM 855 CA GLY A 203 1.848 16.349 -8.797 1.00 3.46 C ATOM 856 C GLY A 203 2.937 16.009 -7.791 1.00 3.33 C ATOM 857 O GLY A 203 4.124 16.074 -8.116 1.00 3.47 O ATOM 0 H GLY A 203 -0.143 15.754 -8.590 1.00 3.34 H new ATOM 0 HA2 GLY A 203 1.845 15.598 -9.587 1.00 3.46 H new ATOM 0 HA3 GLY A 203 2.082 17.304 -9.267 1.00 3.46 H new ATOM 861 N GLU A 204 2.550 15.643 -6.570 1.00 3.11 N ATOM 862 CA GLU A 204 3.523 15.424 -5.513 1.00 3.04 C ATOM 863 C GLU A 204 3.332 14.073 -4.835 1.00 2.75 C ATOM 864 O GLU A 204 2.461 13.294 -5.206 1.00 2.61 O ATOM 865 CB GLU A 204 3.414 16.543 -4.485 1.00 3.15 C ATOM 866 CG GLU A 204 2.152 16.480 -3.655 1.00 3.02 C ATOM 867 CD GLU A 204 2.104 17.562 -2.599 1.00 3.20 C ATOM 868 OE1 GLU A 204 2.777 17.413 -1.560 1.00 3.45 O ATOM 869 OE2 GLU A 204 1.392 18.566 -2.801 1.00 3.48 O ATOM 0 H GLU A 204 1.579 15.494 -6.295 1.00 3.11 H new ATOM 0 HA GLU A 204 4.516 15.426 -5.963 1.00 3.04 H new ATOM 0 HB2 GLU A 204 4.278 16.501 -3.822 1.00 3.15 H new ATOM 0 HB3 GLU A 204 3.453 17.503 -5.000 1.00 3.15 H new ATOM 0 HG2 GLU A 204 1.285 16.575 -4.309 1.00 3.02 H new ATOM 0 HG3 GLU A 204 2.084 15.504 -3.175 1.00 3.02 H new ATOM 876 N LYS A 205 4.162 13.820 -3.839 1.00 2.71 N ATOM 877 CA LYS A 205 4.150 12.574 -3.090 1.00 2.46 C ATOM 878 C LYS A 205 3.938 12.840 -1.608 1.00 2.42 C ATOM 879 O LYS A 205 4.452 13.810 -1.058 1.00 2.62 O ATOM 880 CB LYS A 205 5.474 11.836 -3.272 1.00 2.49 C ATOM 881 CG LYS A 205 5.785 11.480 -4.705 1.00 2.61 C ATOM 882 CD LYS A 205 7.198 10.953 -4.861 1.00 2.75 C ATOM 883 CE LYS A 205 7.460 9.753 -3.967 1.00 2.53 C ATOM 884 NZ LYS A 205 8.558 8.901 -4.500 1.00 2.70 N ATOM 0 H LYS A 205 4.872 14.481 -3.523 1.00 2.71 H new ATOM 0 HA LYS A 205 3.331 11.963 -3.469 1.00 2.46 H new ATOM 0 HB2 LYS A 205 6.280 12.455 -2.879 1.00 2.49 H new ATOM 0 HB3 LYS A 205 5.454 10.923 -2.677 1.00 2.49 H new ATOM 0 HG2 LYS A 205 5.076 10.729 -5.055 1.00 2.61 H new ATOM 0 HG3 LYS A 205 5.654 12.360 -5.335 1.00 2.61 H new ATOM 0 HD2 LYS A 205 7.368 10.674 -5.901 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.908 11.745 -4.623 1.00 2.75 H new ATOM 0 HE2 LYS A 205 7.718 10.095 -2.965 1.00 2.53 H new ATOM 0 HE3 LYS A 205 6.550 9.160 -3.877 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 8.362 7.904 -4.280 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 8.622 9.022 -5.531 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 9.459 9.181 -4.062 1.00 2.70 H new ATOM 898 N LYS A 206 3.180 11.971 -0.979 1.00 2.19 N ATOM 899 CA LYS A 206 2.960 12.023 0.457 1.00 2.19 C ATOM 900 C LYS A 206 3.328 10.678 1.073 1.00 2.01 C ATOM 901 O LYS A 206 2.684 9.670 0.784 1.00 1.82 O ATOM 902 CB LYS A 206 1.494 12.333 0.776 1.00 2.17 C ATOM 903 CG LYS A 206 0.974 13.642 0.200 1.00 2.38 C ATOM 904 CD LYS A 206 1.669 14.852 0.805 1.00 2.68 C ATOM 905 CE LYS A 206 0.893 16.129 0.513 1.00 2.93 C ATOM 906 NZ LYS A 206 1.638 17.347 0.921 1.00 3.25 N ATOM 0 H LYS A 206 2.695 11.204 -1.446 1.00 2.19 H new ATOM 0 HA LYS A 206 3.584 12.814 0.872 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.876 11.517 0.401 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.370 12.355 1.859 1.00 2.17 H new ATOM 0 HG2 LYS A 206 1.119 13.645 -0.880 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -0.099 13.715 0.378 1.00 2.38 H new ATOM 0 HD2 LYS A 206 1.766 14.719 1.883 1.00 2.68 H new ATOM 0 HD3 LYS A 206 2.678 14.935 0.402 1.00 2.68 H new ATOM 0 HE2 LYS A 206 0.672 16.181 -0.553 1.00 2.93 H new ATOM 0 HE3 LYS A 206 -0.063 16.098 1.036 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 0.964 18.098 1.173 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 2.237 17.129 1.743 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 2.236 17.668 0.133 1.00 3.25 H new ATOM 920 N PRO A 207 4.384 10.631 1.893 1.00 2.11 N ATOM 921 CA PRO A 207 4.782 9.406 2.582 1.00 2.00 C ATOM 922 C PRO A 207 3.809 9.035 3.698 1.00 1.97 C ATOM 923 O PRO A 207 3.428 9.876 4.520 1.00 2.17 O ATOM 924 CB PRO A 207 6.165 9.734 3.133 1.00 2.22 C ATOM 925 CG PRO A 207 6.183 11.217 3.275 1.00 2.47 C ATOM 926 CD PRO A 207 5.281 11.759 2.200 1.00 2.38 C ATOM 0 HA PRO A 207 4.785 8.541 1.919 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.334 9.244 4.092 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.950 9.393 2.458 1.00 2.22 H new ATOM 0 HG2 PRO A 207 5.833 11.517 4.263 1.00 2.47 H new ATOM 0 HG3 PRO A 207 7.195 11.605 3.164 1.00 2.47 H new ATOM 0 HD2 PRO A 207 4.725 12.630 2.546 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.847 12.071 1.322 1.00 2.38 H new ATOM 934 N ILE A 208 3.410 7.776 3.707 1.00 1.77 N ATOM 935 CA ILE A 208 2.388 7.285 4.615 1.00 1.77 C ATOM 936 C ILE A 208 2.999 6.491 5.768 1.00 1.91 C ATOM 937 O ILE A 208 4.091 5.930 5.644 1.00 1.91 O ATOM 938 CB ILE A 208 1.399 6.394 3.840 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.712 7.215 2.753 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.374 5.771 4.774 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.189 6.380 1.613 1.00 1.18 C ATOM 0 H ILE A 208 3.787 7.063 3.083 1.00 1.77 H new ATOM 0 HA ILE A 208 1.866 8.144 5.037 1.00 1.77 H new ATOM 0 HB ILE A 208 1.954 5.580 3.374 1.00 1.50 H new ATOM 0 HG12 ILE A 208 -0.115 7.771 3.196 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.417 7.949 2.362 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.311 5.148 4.199 1.00 1.59 H new ATOM 0 HG22 ILE A 208 0.884 5.159 5.518 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.187 6.559 5.276 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.287 7.027 0.876 1.00 1.18 H new ATOM 0 HD12 ILE A 208 1.015 5.844 1.145 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.540 5.663 1.991 1.00 1.18 H new ATOM 953 N GLY A 209 2.280 6.447 6.882 1.00 2.07 N ATOM 954 CA GLY A 209 2.724 5.702 8.039 1.00 2.25 C ATOM 955 C GLY A 209 2.128 4.312 8.054 1.00 2.13 C ATOM 956 O GLY A 209 1.011 4.108 7.587 1.00 2.01 O ATOM 0 H GLY A 209 1.385 6.922 7.003 1.00 2.07 H new ATOM 0 HA2 GLY A 209 3.812 5.634 8.036 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.440 6.233 8.948 1.00 2.25 H new ATOM 960 N TRP A 210 2.855 3.355 8.604 1.00 2.20 N ATOM 961 CA TRP A 210 2.436 1.960 8.556 1.00 2.11 C ATOM 962 C TRP A 210 1.343 1.658 9.575 1.00 2.30 C ATOM 963 O TRP A 210 0.665 0.635 9.485 1.00 2.25 O ATOM 964 CB TRP A 210 3.636 1.042 8.779 1.00 2.18 C ATOM 965 CG TRP A 210 4.627 1.083 7.655 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.710 1.904 7.542 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.617 0.266 6.482 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.377 1.644 6.369 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.724 0.642 5.699 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.778 -0.748 6.018 1.00 1.54 C ATOM 971 CZ2 TRP A 210 6.011 0.033 4.479 1.00 1.40 C ATOM 972 CZ3 TRP A 210 4.064 -1.350 4.810 1.00 1.31 C ATOM 973 CH2 TRP A 210 5.173 -0.959 4.052 1.00 1.24 C ATOM 0 H TRP A 210 3.738 3.515 9.089 1.00 2.20 H new ATOM 0 HA TRP A 210 2.020 1.775 7.566 1.00 2.11 H new ATOM 0 HB2 TRP A 210 4.135 1.326 9.706 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.284 0.019 8.907 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.001 2.649 8.268 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.221 2.119 6.049 1.00 1.86 H new ATOM 0 HE3 TRP A 210 2.919 -1.056 6.595 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.866 0.334 3.891 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 3.421 -2.136 4.443 1.00 1.31 H new ATOM 0 HH2 TRP A 210 5.371 -1.451 3.111 1.00 1.24 H new ATOM 984 N ASP A 211 1.158 2.559 10.529 1.00 2.54 N ATOM 985 CA ASP A 211 0.173 2.382 11.569 1.00 2.76 C ATOM 986 C ASP A 211 -1.138 3.053 11.186 1.00 2.71 C ATOM 987 O ASP A 211 -2.097 3.069 11.959 1.00 2.92 O ATOM 988 CB ASP A 211 0.688 2.976 12.869 1.00 3.09 C ATOM 989 CG ASP A 211 0.996 4.458 12.762 1.00 3.39 C ATOM 990 OD1 ASP A 211 2.173 4.809 12.528 1.00 3.79 O ATOM 991 OD2 ASP A 211 0.070 5.279 12.918 1.00 3.79 O ATOM 0 H ASP A 211 1.688 3.428 10.598 1.00 2.54 H new ATOM 0 HA ASP A 211 -0.006 1.315 11.699 1.00 2.76 H new ATOM 0 HB2 ASP A 211 -0.054 2.820 13.652 1.00 3.09 H new ATOM 0 HB3 ASP A 211 1.589 2.444 13.173 1.00 3.09 H new ATOM 996 N THR A 212 -1.169 3.589 9.984 1.00 2.44 N ATOM 997 CA THR A 212 -2.323 4.311 9.494 1.00 2.39 C ATOM 998 C THR A 212 -3.450 3.346 9.151 1.00 2.29 C ATOM 999 O THR A 212 -3.227 2.333 8.487 1.00 2.10 O ATOM 1000 CB THR A 212 -1.927 5.148 8.263 1.00 2.18 C ATOM 1001 OG1 THR A 212 -0.962 6.133 8.650 1.00 2.33 O ATOM 1002 CG2 THR A 212 -3.131 5.829 7.623 1.00 2.12 C ATOM 0 H THR A 212 -0.396 3.536 9.320 1.00 2.44 H new ATOM 0 HA THR A 212 -2.681 4.982 10.275 1.00 2.39 H new ATOM 0 HB THR A 212 -1.501 4.473 7.521 1.00 2.18 H new ATOM 0 HG1 THR A 212 -0.061 5.808 8.442 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.805 6.408 6.759 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.849 5.074 7.304 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.601 6.493 8.348 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.645 3.639 9.652 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.826 2.852 9.323 1.00 2.43 C ATOM 1012 C ASP A 213 -6.072 2.914 7.822 1.00 2.14 C ATOM 1013 O ASP A 213 -6.374 3.975 7.279 1.00 2.12 O ATOM 1014 CB ASP A 213 -7.044 3.377 10.086 1.00 2.70 C ATOM 1015 CG ASP A 213 -8.268 2.497 9.916 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -9.019 2.695 8.943 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -8.491 1.611 10.768 1.00 3.47 O ATOM 0 H ASP A 213 -4.821 4.417 10.288 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.661 1.815 9.616 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.799 3.451 11.146 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.276 4.385 9.742 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.936 1.779 7.153 1.00 1.95 N ATOM 1023 CA ILE A 214 -5.949 1.751 5.696 1.00 1.68 C ATOM 1024 C ILE A 214 -7.374 1.875 5.126 1.00 1.75 C ATOM 1025 O ILE A 214 -7.580 1.881 3.914 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.218 0.496 5.154 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.233 0.471 3.619 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -5.813 -0.764 5.739 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -4.769 -0.828 3.022 1.00 1.17 C ATOM 0 H ILE A 214 -5.816 0.867 7.593 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.400 2.627 5.351 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.175 0.544 5.468 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.246 0.676 3.273 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -4.600 1.276 3.247 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.285 -1.633 5.345 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -5.716 -0.742 6.824 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -6.867 -0.827 5.470 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -4.810 -0.764 1.935 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -3.744 -1.027 3.336 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.416 -1.636 3.362 1.00 1.17 H new ATOM 1041 N SER A 215 -8.362 2.036 5.991 1.00 2.01 N ATOM 1042 CA SER A 215 -9.702 2.358 5.525 1.00 2.14 C ATOM 1043 C SER A 215 -9.753 3.833 5.125 1.00 2.17 C ATOM 1044 O SER A 215 -10.750 4.323 4.596 1.00 2.27 O ATOM 1045 CB SER A 215 -10.750 2.047 6.594 1.00 2.43 C ATOM 1046 OG SER A 215 -12.066 2.302 6.121 1.00 2.91 O ATOM 0 H SER A 215 -8.266 1.951 7.003 1.00 2.01 H new ATOM 0 HA SER A 215 -9.934 1.740 4.657 1.00 2.14 H new ATOM 0 HB2 SER A 215 -10.666 1.003 6.895 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.557 2.651 7.481 1.00 2.43 H new ATOM 0 HG SER A 215 -12.035 2.986 5.420 1.00 2.91 H new ATOM 1052 N TRP A 216 -8.666 4.535 5.413 1.00 2.14 N ATOM 1053 CA TRP A 216 -8.532 5.943 5.082 1.00 2.20 C ATOM 1054 C TRP A 216 -8.517 6.156 3.569 1.00 1.97 C ATOM 1055 O TRP A 216 -9.354 6.873 3.022 1.00 2.05 O ATOM 1056 CB TRP A 216 -7.225 6.465 5.659 1.00 2.34 C ATOM 1057 CG TRP A 216 -7.296 7.862 6.189 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -7.794 8.963 5.551 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -6.823 8.312 7.461 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -7.669 10.068 6.357 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -7.076 9.693 7.534 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -6.217 7.678 8.549 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -6.737 10.451 8.651 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -5.883 8.430 9.656 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -6.144 9.805 9.700 1.00 4.80 C ATOM 0 H TRP A 216 -7.851 4.141 5.884 1.00 2.14 H new ATOM 0 HA TRP A 216 -9.384 6.477 5.502 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -6.906 5.801 6.462 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -6.458 6.422 4.886 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -8.222 8.964 4.560 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -7.969 11.013 6.118 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -6.014 6.618 8.523 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -6.935 11.512 8.688 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -5.413 7.951 10.502 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -5.871 10.367 10.581 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.567 5.507 2.902 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.321 5.737 1.486 1.00 1.56 C ATOM 1078 C LEU A 217 -8.171 4.845 0.580 1.00 1.52 C ATOM 1079 O LEU A 217 -7.729 4.475 -0.508 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.836 5.555 1.099 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.877 4.855 2.068 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -4.587 5.685 3.298 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -5.406 3.504 2.448 1.00 1.78 C ATOM 0 H LEU A 217 -6.952 4.813 3.326 1.00 1.74 H new ATOM 0 HA LEU A 217 -7.607 6.777 1.329 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.810 5.002 0.160 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -5.429 6.546 0.897 1.00 1.37 H new ATOM 0 HG LEU A 217 -3.929 4.729 1.544 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -3.903 5.142 3.950 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -4.132 6.630 3.000 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -5.517 5.882 3.831 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -4.712 3.022 3.136 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -6.377 3.616 2.931 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -5.514 2.891 1.553 1.00 1.78 H new ATOM 1095 N THR A 218 -9.371 4.485 1.017 1.00 1.67 N ATOM 1096 CA THR A 218 -10.282 3.732 0.165 1.00 1.73 C ATOM 1097 C THR A 218 -10.563 4.480 -1.136 1.00 1.80 C ATOM 1098 O THR A 218 -10.629 5.712 -1.167 1.00 1.87 O ATOM 1099 CB THR A 218 -11.624 3.482 0.847 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.425 3.163 2.228 1.00 2.01 O ATOM 1101 CG2 THR A 218 -12.370 2.352 0.163 1.00 2.03 C ATOM 0 H THR A 218 -9.733 4.699 1.946 1.00 1.67 H new ATOM 0 HA THR A 218 -9.788 2.782 -0.037 1.00 1.73 H new ATOM 0 HB THR A 218 -12.220 4.392 0.771 1.00 1.96 H new ATOM 0 HG1 THR A 218 -11.330 3.990 2.744 1.00 2.01 H new ATOM 0 HG21 THR A 218 -13.324 2.190 0.665 1.00 2.03 H new ATOM 0 HG22 THR A 218 -12.548 2.613 -0.880 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.774 1.440 0.213 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.753 3.715 -2.192 1.00 1.85 N ATOM 1110 CA GLY A 219 -11.022 4.274 -3.504 1.00 2.01 C ATOM 1111 C GLY A 219 -9.838 5.021 -4.095 1.00 1.92 C ATOM 1112 O GLY A 219 -9.956 5.641 -5.153 1.00 2.12 O ATOM 0 H GLY A 219 -10.726 2.696 -2.167 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -11.310 3.470 -4.181 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -11.872 4.952 -3.435 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.699 4.965 -3.423 1.00 1.70 N ATOM 1117 CA GLU A 220 -7.519 5.685 -3.872 1.00 1.64 C ATOM 1118 C GLU A 220 -6.414 4.710 -4.257 1.00 1.53 C ATOM 1119 O GLU A 220 -6.490 3.518 -3.949 1.00 1.46 O ATOM 1120 CB GLU A 220 -7.044 6.645 -2.778 1.00 1.55 C ATOM 1121 CG GLU A 220 -8.124 7.634 -2.357 1.00 1.91 C ATOM 1122 CD GLU A 220 -7.641 8.671 -1.366 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -7.456 9.837 -1.764 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -7.454 8.336 -0.177 1.00 2.61 O ATOM 0 H GLU A 220 -8.567 4.429 -2.565 1.00 1.70 H new ATOM 0 HA GLU A 220 -7.776 6.268 -4.756 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -6.724 6.070 -1.909 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -6.173 7.194 -3.135 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -8.507 8.141 -3.243 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -8.957 7.085 -1.919 1.00 1.91 H new ATOM 1131 N GLU A 221 -5.405 5.210 -4.955 1.00 1.59 N ATOM 1132 CA GLU A 221 -4.288 4.378 -5.376 1.00 1.54 C ATOM 1133 C GLU A 221 -3.018 4.786 -4.651 1.00 1.38 C ATOM 1134 O GLU A 221 -2.630 5.952 -4.650 1.00 1.49 O ATOM 1135 CB GLU A 221 -4.082 4.465 -6.891 1.00 1.83 C ATOM 1136 CG GLU A 221 -5.324 4.105 -7.689 1.00 2.05 C ATOM 1137 CD GLU A 221 -5.063 3.970 -9.173 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -4.547 4.926 -9.786 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -5.400 2.908 -9.737 1.00 3.06 O ATOM 0 H GLU A 221 -5.337 6.187 -5.241 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.522 3.345 -5.120 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.773 5.477 -7.151 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -3.268 3.799 -7.179 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -5.731 3.167 -7.312 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -6.085 4.869 -7.529 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.385 3.813 -4.029 1.00 1.15 N ATOM 1147 CA LEU A 222 -1.164 4.038 -3.284 1.00 1.01 C ATOM 1148 C LEU A 222 0.056 3.715 -4.133 1.00 1.13 C ATOM 1149 O LEU A 222 -0.062 3.119 -5.197 1.00 1.30 O ATOM 1150 CB LEU A 222 -1.178 3.172 -2.027 1.00 0.74 C ATOM 1151 CG LEU A 222 -2.219 3.563 -0.978 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -1.993 2.792 0.311 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -2.189 5.062 -0.729 1.00 1.24 C ATOM 0 H LEU A 222 -2.703 2.844 -4.026 1.00 1.15 H new ATOM 0 HA LEU A 222 -1.107 5.090 -3.004 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.353 2.137 -2.320 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.190 3.211 -1.567 1.00 0.74 H new ATOM 0 HG LEU A 222 -3.207 3.304 -1.358 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -2.743 3.084 1.046 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -2.074 1.723 0.114 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -0.999 3.015 0.699 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.937 5.321 0.020 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -1.201 5.352 -0.371 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -2.408 5.590 -1.657 1.00 1.24 H new ATOM 1165 N HIS A 223 1.225 4.133 -3.666 1.00 1.13 N ATOM 1166 CA HIS A 223 2.478 3.855 -4.361 1.00 1.30 C ATOM 1167 C HIS A 223 3.535 3.447 -3.350 1.00 1.19 C ATOM 1168 O HIS A 223 3.807 4.181 -2.413 1.00 1.19 O ATOM 1169 CB HIS A 223 2.971 5.084 -5.136 1.00 1.64 C ATOM 1170 CG HIS A 223 2.000 5.602 -6.149 1.00 1.93 C ATOM 1171 ND1 HIS A 223 1.932 5.131 -7.443 1.00 2.62 N ATOM 1172 CD2 HIS A 223 1.042 6.553 -6.045 1.00 2.09 C ATOM 1173 CE1 HIS A 223 0.974 5.769 -8.090 1.00 3.31 C ATOM 1174 NE2 HIS A 223 0.421 6.634 -7.263 1.00 2.97 N ATOM 0 H HIS A 223 1.333 4.669 -2.805 1.00 1.13 H new ATOM 0 HA HIS A 223 2.301 3.048 -5.072 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.197 5.880 -4.426 1.00 1.64 H new ATOM 0 HB3 HIS A 223 3.904 4.831 -5.640 1.00 1.64 H new ATOM 0 HD2 HIS A 223 0.811 7.138 -5.167 1.00 2.09 H new ATOM 0 HE1 HIS A 223 0.692 5.610 -9.120 1.00 3.31 H new ATOM 0 HE2 HIS A 223 -0.348 7.264 -7.494 1.00 2.97 H new ATOM 1183 N VAL A 224 4.118 2.281 -3.528 1.00 1.19 N ATOM 1184 CA VAL A 224 5.104 1.782 -2.588 1.00 1.14 C ATOM 1185 C VAL A 224 6.502 1.875 -3.169 1.00 1.40 C ATOM 1186 O VAL A 224 6.723 1.606 -4.352 1.00 1.58 O ATOM 1187 CB VAL A 224 4.805 0.327 -2.174 1.00 1.02 C ATOM 1188 CG1 VAL A 224 5.810 -0.182 -1.142 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.406 0.235 -1.621 1.00 1.10 C ATOM 0 H VAL A 224 3.928 1.659 -4.314 1.00 1.19 H new ATOM 0 HA VAL A 224 5.048 2.410 -1.699 1.00 1.14 H new ATOM 0 HB VAL A 224 4.893 -0.302 -3.060 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.567 -1.210 -0.874 1.00 1.23 H new ATOM 0 HG12 VAL A 224 6.815 -0.144 -1.563 1.00 1.23 H new ATOM 0 HG13 VAL A 224 5.766 0.445 -0.251 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.197 -0.794 -1.329 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.315 0.885 -0.750 1.00 1.10 H new ATOM 0 HG23 VAL A 224 2.692 0.548 -2.383 1.00 1.10 H new ATOM 1199 N GLU A 225 7.428 2.255 -2.314 1.00 1.47 N ATOM 1200 CA GLU A 225 8.824 2.399 -2.671 1.00 1.74 C ATOM 1201 C GLU A 225 9.593 1.277 -1.998 1.00 1.75 C ATOM 1202 O GLU A 225 9.023 0.519 -1.222 1.00 1.70 O ATOM 1203 CB GLU A 225 9.360 3.743 -2.174 1.00 1.91 C ATOM 1204 CG GLU A 225 8.463 4.924 -2.488 1.00 1.95 C ATOM 1205 CD GLU A 225 8.393 5.271 -3.965 1.00 2.31 C ATOM 1206 OE1 GLU A 225 7.648 4.608 -4.711 1.00 2.72 O ATOM 1207 OE2 GLU A 225 9.075 6.231 -4.384 1.00 2.74 O ATOM 0 H GLU A 225 7.230 2.476 -1.338 1.00 1.47 H new ATOM 0 HA GLU A 225 8.938 2.357 -3.754 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.504 3.687 -1.095 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.340 3.917 -2.618 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.457 4.709 -2.128 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.819 5.794 -1.937 1.00 1.95 H new ATOM 1214 N VAL A 226 10.867 1.159 -2.283 1.00 1.95 N ATOM 1215 CA VAL A 226 11.707 0.221 -1.557 1.00 2.02 C ATOM 1216 C VAL A 226 12.506 0.960 -0.491 1.00 2.19 C ATOM 1217 O VAL A 226 13.406 1.743 -0.799 1.00 2.37 O ATOM 1218 CB VAL A 226 12.675 -0.517 -2.474 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.259 -1.738 -1.782 1.00 2.61 C ATOM 1220 CG2 VAL A 226 12.010 -0.891 -3.789 1.00 2.56 C ATOM 0 H VAL A 226 11.348 1.694 -3.006 1.00 1.95 H new ATOM 0 HA VAL A 226 11.045 -0.514 -1.100 1.00 2.02 H new ATOM 0 HB VAL A 226 13.499 0.159 -2.704 1.00 2.21 H new ATOM 0 HG11 VAL A 226 13.946 -2.246 -2.459 1.00 2.61 H new ATOM 0 HG12 VAL A 226 13.796 -1.426 -0.886 1.00 2.61 H new ATOM 0 HG13 VAL A 226 12.454 -2.419 -1.504 1.00 2.61 H new ATOM 0 HG21 VAL A 226 12.725 -1.416 -4.422 1.00 2.56 H new ATOM 0 HG22 VAL A 226 11.155 -1.538 -3.593 1.00 2.56 H new ATOM 0 HG23 VAL A 226 11.672 0.013 -4.296 1.00 2.56 H new