USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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 44 GLN : amide:sc= 0.983 K(o=-0.14,f=-1.9) USER MOD Set 1.2: B 63 THR OG1 : rot -164:sc= 1.07 USER MOD Set 1.3: B 64 HIS : no HE2:sc= -2.19 X(o=-0.14,f=-0.53) USER MOD Set 2.1: A 63 THR OG1 : rot -165:sc= 1.1 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -2.22 X(o=-0.12,f=-0.58) USER MOD Set 2.3: B 44 GLN : amide:sc= 1 K(o=-0.12,f=-2.1) USER MOD Set 3.1: B 43 MET CE :methyl -142:sc= -2.51! (180deg=-2.84!) USER MOD Set 3.2: B 46 MET CE :methyl -135:sc= -1.37 (180deg=-3.23!) USER MOD Set 4.1: A 43 MET CE :methyl -145:sc= -2.53! (180deg=-2.89!) USER MOD Set 4.2: A 46 MET CE :methyl -135:sc= -1.37 (180deg=-3.21!) USER MOD Single : A 38 THR OG1 : rot 128:sc= 1.23 USER MOD Single : A 41 TYR OH : rot -31:sc= 0.328 USER MOD Single : A 47 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.74) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0388 (180deg=-0.306) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc=-0.00358 (180deg=-0.119) USER MOD Single : A 52 MET CE :methyl 170:sc= -4.99! (180deg=-5.19!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 71:sc= 0.769 USER MOD Single : A 57 ASN : amide:sc= -1.4! C(o=-1.4!,f=-7.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= -0.0932 (180deg=-0.524) USER MOD Single : B 38 THR OG1 : rot 109:sc= 1.27 USER MOD Single : B 41 TYR OH : rot -32:sc= 0.363 USER MOD Single : B 47 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.69) USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= -0.0254 (180deg=-0.318) USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= -0.0151 (180deg=-0.122) USER MOD Single : B 52 MET CE :methyl 171:sc= -5.1! (180deg=-5.41!) USER MOD Single : B 53 SER OG : rot -27:sc= 0.0489 USER MOD Single : B 54 SER OG : rot 70:sc= 0.783 USER MOD Single : B 57 ASN : amide:sc= -1.4! C(o=-1.4!,f=-7.5!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ 155:sc= -0.0814 (180deg=-0.581) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 12.021 -5.895 -6.146 1.00 0.97 N ATOM 131 CA THR A 38 13.458 -5.977 -5.936 1.00 0.83 C ATOM 132 C THR A 38 13.858 -4.971 -4.846 1.00 0.72 C ATOM 133 O THR A 38 12.973 -4.343 -4.263 1.00 0.65 O ATOM 134 CB THR A 38 14.200 -5.685 -7.262 1.00 0.79 C ATOM 135 OG1 THR A 38 13.831 -4.393 -7.764 1.00 0.85 O ATOM 136 CG2 THR A 38 13.876 -6.746 -8.306 1.00 0.95 C ATOM 0 HA THR A 38 13.734 -6.980 -5.611 1.00 0.83 H new ATOM 0 HB THR A 38 15.271 -5.703 -7.061 1.00 0.79 H new ATOM 0 HG1 THR A 38 14.639 -3.873 -7.954 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.408 -6.521 -9.230 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.185 -7.725 -7.938 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.803 -6.752 -8.497 1.00 0.95 H new ATOM 144 N PRO A 39 15.156 -4.799 -4.506 1.00 0.74 N ATOM 145 CA PRO A 39 15.565 -3.740 -3.572 1.00 0.70 C ATOM 146 C PRO A 39 15.055 -2.371 -4.007 1.00 0.62 C ATOM 147 O PRO A 39 14.717 -1.532 -3.177 1.00 0.56 O ATOM 148 CB PRO A 39 17.089 -3.790 -3.615 1.00 0.78 C ATOM 149 CG PRO A 39 17.395 -5.201 -3.978 1.00 0.87 C ATOM 150 CD PRO A 39 16.309 -5.620 -4.931 1.00 0.83 C ATOM 0 HA PRO A 39 15.158 -3.893 -2.572 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.490 -3.093 -4.351 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.524 -3.523 -2.652 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.377 -5.281 -4.444 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.408 -5.839 -3.094 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.584 -5.423 -5.967 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.095 -6.686 -4.855 1.00 0.83 H new ATOM 158 N ASP A 40 14.968 -2.169 -5.318 1.00 0.66 N ATOM 159 CA ASP A 40 14.437 -0.931 -5.884 1.00 0.64 C ATOM 160 C ASP A 40 13.030 -0.675 -5.358 1.00 0.58 C ATOM 161 O ASP A 40 12.624 0.467 -5.130 1.00 0.58 O ATOM 162 CB ASP A 40 14.396 -1.023 -7.410 1.00 0.72 C ATOM 163 CG ASP A 40 15.709 -1.486 -7.997 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.526 -0.624 -8.389 1.00 2.22 O ATOM 165 OD2 ASP A 40 15.932 -2.715 -8.065 1.00 2.15 O ATOM 0 H ASP A 40 15.261 -2.853 -6.015 1.00 0.66 H new ATOM 0 HA ASP A 40 15.089 -0.109 -5.589 1.00 0.64 H new ATOM 0 HB2 ASP A 40 13.605 -1.712 -7.708 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.141 -0.047 -7.823 1.00 0.72 H new ATOM 170 N TYR A 41 12.300 -1.762 -5.155 1.00 0.57 N ATOM 171 CA TYR A 41 10.945 -1.707 -4.638 1.00 0.54 C ATOM 172 C TYR A 41 10.959 -1.213 -3.194 1.00 0.46 C ATOM 173 O TYR A 41 10.080 -0.460 -2.774 1.00 0.43 O ATOM 174 CB TYR A 41 10.303 -3.097 -4.712 1.00 0.61 C ATOM 175 CG TYR A 41 8.796 -3.111 -4.598 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.165 -3.098 -3.360 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.003 -3.151 -5.736 1.00 0.83 C ATOM 178 CE1 TYR A 41 6.787 -3.124 -3.263 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.626 -3.175 -5.646 1.00 0.88 C ATOM 180 CZ TYR A 41 6.023 -3.163 -4.410 1.00 0.73 C ATOM 181 OH TYR A 41 4.651 -3.186 -4.321 1.00 0.81 O ATOM 0 H TYR A 41 12.633 -2.707 -5.345 1.00 0.57 H new ATOM 0 HA TYR A 41 10.360 -1.014 -5.243 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.585 -3.561 -5.657 1.00 0.61 H new ATOM 0 HB3 TYR A 41 10.718 -3.715 -3.916 1.00 0.61 H new ATOM 0 HD1 TYR A 41 8.761 -3.067 -2.460 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.471 -3.164 -6.709 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.311 -3.114 -2.294 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.024 -3.203 -6.543 1.00 0.88 H new ATOM 0 HH TYR A 41 4.384 -3.650 -3.500 1.00 0.81 H new ATOM 191 N LEU A 42 11.984 -1.618 -2.451 1.00 0.44 N ATOM 192 CA LEU A 42 12.093 -1.267 -1.042 1.00 0.39 C ATOM 193 C LEU A 42 12.689 0.122 -0.868 1.00 0.37 C ATOM 194 O LEU A 42 12.329 0.842 0.058 1.00 0.34 O ATOM 195 CB LEU A 42 12.948 -2.293 -0.289 1.00 0.43 C ATOM 196 CG LEU A 42 13.164 -1.995 1.200 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.836 -1.924 1.931 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.064 -3.042 1.837 1.00 0.48 C ATOM 0 H LEU A 42 12.751 -2.190 -2.803 1.00 0.44 H new ATOM 0 HA LEU A 42 11.086 -1.270 -0.625 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.479 -3.272 -0.383 1.00 0.43 H new ATOM 0 HB3 LEU A 42 13.921 -2.358 -0.775 1.00 0.43 H new ATOM 0 HG LEU A 42 13.656 -1.026 1.281 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.012 -1.712 2.986 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.225 -1.132 1.499 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.316 -2.877 1.835 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.202 -2.809 2.893 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.604 -4.025 1.740 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.032 -3.043 1.336 1.00 0.48 H new ATOM 210 N MET A 43 13.567 0.520 -1.783 1.00 0.40 N ATOM 211 CA MET A 43 14.278 1.785 -1.645 1.00 0.40 C ATOM 212 C MET A 43 13.324 2.932 -1.912 1.00 0.37 C ATOM 213 O MET A 43 13.399 3.987 -1.281 1.00 0.36 O ATOM 214 CB MET A 43 15.474 1.860 -2.604 1.00 0.47 C ATOM 215 CG MET A 43 16.815 1.504 -1.992 1.00 0.63 C ATOM 216 SD MET A 43 17.116 -0.273 -1.841 1.00 0.85 S ATOM 217 CE MET A 43 16.194 -0.697 -0.363 1.00 0.55 C ATOM 0 H MET A 43 13.802 -0.011 -2.622 1.00 0.40 H new ATOM 0 HA MET A 43 14.662 1.856 -0.627 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.288 1.192 -3.445 1.00 0.47 H new ATOM 0 HB3 MET A 43 15.533 2.871 -3.007 1.00 0.47 H new ATOM 0 HG2 MET A 43 17.606 1.944 -2.598 1.00 0.63 H new ATOM 0 HG3 MET A 43 16.882 1.957 -1.003 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.723 -1.477 0.184 1.00 0.55 H new ATOM 0 HE2 MET A 43 16.094 0.185 0.269 1.00 0.55 H new ATOM 0 HE3 MET A 43 15.204 -1.057 -0.643 1.00 0.55 H new ATOM 227 N GLN A 44 12.412 2.701 -2.844 1.00 0.36 N ATOM 228 CA GLN A 44 11.376 3.670 -3.157 1.00 0.35 C ATOM 229 C GLN A 44 10.378 3.772 -2.011 1.00 0.30 C ATOM 230 O GLN A 44 9.854 4.842 -1.722 1.00 0.30 O ATOM 231 CB GLN A 44 10.655 3.278 -4.444 1.00 0.42 C ATOM 232 CG GLN A 44 11.466 3.531 -5.705 1.00 0.52 C ATOM 233 CD GLN A 44 10.706 3.152 -6.959 1.00 0.64 C ATOM 234 OE1 GLN A 44 9.973 3.963 -7.525 1.00 0.91 O ATOM 235 NE2 GLN A 44 10.871 1.914 -7.398 1.00 0.75 N ATOM 0 H GLN A 44 12.370 1.846 -3.399 1.00 0.36 H new ATOM 0 HA GLN A 44 11.847 4.643 -3.299 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.396 2.220 -4.396 1.00 0.42 H new ATOM 0 HB3 GLN A 44 9.719 3.833 -4.508 1.00 0.42 H new ATOM 0 HG2 GLN A 44 11.741 4.585 -5.753 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.394 2.961 -5.659 1.00 0.52 H new ATOM 0 HE21 GLN A 44 11.488 1.274 -6.898 1.00 0.75 H new ATOM 0 HE22 GLN A 44 10.381 1.600 -8.236 1.00 0.75 H new ATOM 244 N LEU A 45 10.126 2.648 -1.356 1.00 0.27 N ATOM 245 CA LEU A 45 9.213 2.617 -0.224 1.00 0.25 C ATOM 246 C LEU A 45 9.788 3.345 0.979 1.00 0.23 C ATOM 247 O LEU A 45 9.048 3.955 1.755 1.00 0.23 O ATOM 248 CB LEU A 45 8.892 1.179 0.163 1.00 0.29 C ATOM 249 CG LEU A 45 7.790 0.511 -0.648 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.629 -0.938 -0.224 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.483 1.263 -0.465 1.00 0.31 C ATOM 0 H LEU A 45 10.541 1.746 -1.589 1.00 0.27 H new ATOM 0 HA LEU A 45 8.300 3.126 -0.531 1.00 0.25 H new ATOM 0 HB2 LEU A 45 9.800 0.584 0.067 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.607 1.159 1.215 1.00 0.29 H new ATOM 0 HG LEU A 45 8.065 0.534 -1.703 1.00 0.32 H new ATOM 0 HD11 LEU A 45 6.838 -1.403 -0.812 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.565 -1.471 -0.389 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.368 -0.981 0.833 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.700 0.779 -1.048 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.205 1.259 0.589 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.605 2.292 -0.804 1.00 0.31 H new ATOM 263 N MET A 46 11.107 3.292 1.128 1.00 0.26 N ATOM 264 CA MET A 46 11.755 3.879 2.289 1.00 0.28 C ATOM 265 C MET A 46 11.523 5.376 2.336 1.00 0.27 C ATOM 266 O MET A 46 11.229 5.926 3.393 1.00 0.41 O ATOM 267 CB MET A 46 13.258 3.596 2.308 1.00 0.33 C ATOM 268 CG MET A 46 13.604 2.127 2.466 1.00 0.39 C ATOM 269 SD MET A 46 15.334 1.859 2.903 1.00 0.49 S ATOM 270 CE MET A 46 16.167 2.800 1.628 1.00 0.49 C ATOM 0 H MET A 46 11.742 2.851 0.463 1.00 0.26 H new ATOM 0 HA MET A 46 11.308 3.415 3.168 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.699 3.966 1.383 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.713 4.157 3.125 1.00 0.33 H new ATOM 0 HG2 MET A 46 12.968 1.689 3.235 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.384 1.604 1.535 1.00 0.39 H new ATOM 0 HE1 MET A 46 16.995 2.216 1.227 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.464 3.030 0.827 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.550 3.728 2.052 1.00 0.49 H new ATOM 280 N ASN A 47 11.611 6.036 1.189 1.00 0.24 N ATOM 281 CA ASN A 47 11.486 7.483 1.159 1.00 0.30 C ATOM 282 C ASN A 47 10.021 7.891 1.116 1.00 0.26 C ATOM 283 O ASN A 47 9.676 9.007 1.494 1.00 0.27 O ATOM 284 CB ASN A 47 12.238 8.082 -0.036 1.00 0.42 C ATOM 285 CG ASN A 47 11.604 7.752 -1.375 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.958 6.763 -2.014 1.00 1.61 O ATOM 287 ND2 ASN A 47 10.668 8.585 -1.808 1.00 1.42 N ATOM 0 H ASN A 47 11.766 5.599 0.281 1.00 0.24 H new ATOM 0 HA ASN A 47 11.935 7.874 2.072 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.284 9.165 0.079 1.00 0.42 H new ATOM 0 HB3 ASN A 47 13.265 7.717 -0.029 1.00 0.42 H new ATOM 0 HD21 ASN A 47 10.211 8.417 -2.704 1.00 1.42 H new ATOM 0 HD22 ASN A 47 10.405 9.394 -1.245 1.00 1.42 H new ATOM 294 N ASP A 48 9.160 6.978 0.682 1.00 0.24 N ATOM 295 CA ASP A 48 7.725 7.254 0.607 1.00 0.24 C ATOM 296 C ASP A 48 7.130 7.307 2.008 1.00 0.25 C ATOM 297 O ASP A 48 6.394 8.233 2.352 1.00 0.30 O ATOM 298 CB ASP A 48 7.000 6.186 -0.221 1.00 0.25 C ATOM 299 CG ASP A 48 6.912 6.515 -1.702 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.482 7.537 -2.134 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.254 5.750 -2.444 1.00 0.74 O ATOM 0 H ASP A 48 9.427 6.042 0.377 1.00 0.24 H new ATOM 0 HA ASP A 48 7.592 8.219 0.118 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.516 5.233 -0.100 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.992 6.056 0.173 1.00 0.25 H new ATOM 306 N LYS A 49 7.481 6.315 2.822 1.00 0.22 N ATOM 307 CA LYS A 49 7.007 6.234 4.198 1.00 0.27 C ATOM 308 C LYS A 49 7.552 7.405 5.017 1.00 0.32 C ATOM 309 O LYS A 49 6.932 7.845 5.983 1.00 0.44 O ATOM 310 CB LYS A 49 7.438 4.899 4.826 1.00 0.31 C ATOM 311 CG LYS A 49 6.454 4.339 5.851 1.00 0.59 C ATOM 312 CD LYS A 49 6.405 5.173 7.121 1.00 0.92 C ATOM 313 CE LYS A 49 7.652 4.987 7.971 1.00 1.45 C ATOM 314 NZ LYS A 49 7.763 3.601 8.496 1.00 2.10 N ATOM 0 H LYS A 49 8.098 5.550 2.548 1.00 0.22 H new ATOM 0 HA LYS A 49 5.918 6.288 4.198 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.574 4.165 4.032 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.407 5.033 5.306 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.458 4.295 5.409 1.00 0.59 H new ATOM 0 HG3 LYS A 49 6.737 3.316 6.101 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.298 6.226 6.860 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.525 4.897 7.702 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.535 5.222 7.377 1.00 1.45 H new ATOM 0 HE3 LYS A 49 7.632 5.690 8.804 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.429 3.585 9.295 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 6.829 3.276 8.817 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 8.109 2.972 7.744 1.00 2.10 H new ATOM 328 N LYS A 50 8.686 7.944 4.593 1.00 0.30 N ATOM 329 CA LYS A 50 9.327 9.020 5.333 1.00 0.37 C ATOM 330 C LYS A 50 8.759 10.353 4.882 1.00 0.39 C ATOM 331 O LYS A 50 8.474 11.226 5.699 1.00 0.43 O ATOM 332 CB LYS A 50 10.843 8.996 5.131 1.00 0.42 C ATOM 333 CG LYS A 50 11.512 7.766 5.717 1.00 1.14 C ATOM 334 CD LYS A 50 13.007 7.761 5.444 1.00 1.67 C ATOM 335 CE LYS A 50 13.651 6.462 5.900 1.00 2.35 C ATOM 336 NZ LYS A 50 13.460 6.224 7.354 1.00 3.05 N ATOM 0 H LYS A 50 9.178 7.656 3.747 1.00 0.30 H new ATOM 0 HA LYS A 50 9.127 8.881 6.395 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.060 9.045 4.064 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.276 9.887 5.585 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.337 7.733 6.792 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.061 6.869 5.293 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.184 7.902 4.378 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.475 8.601 5.958 1.00 1.67 H new ATOM 0 HE2 LYS A 50 13.226 5.630 5.338 1.00 2.35 H new ATOM 0 HE3 LYS A 50 14.717 6.488 5.674 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.039 5.413 7.652 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 13.749 7.070 7.885 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 12.458 6.022 7.544 1.00 3.05 H new ATOM 350 N LEU A 51 8.591 10.498 3.571 1.00 0.38 N ATOM 351 CA LEU A 51 7.965 11.678 2.998 1.00 0.44 C ATOM 352 C LEU A 51 6.552 11.846 3.544 1.00 0.42 C ATOM 353 O LEU A 51 6.146 12.956 3.882 1.00 0.47 O ATOM 354 CB LEU A 51 7.956 11.572 1.467 1.00 0.48 C ATOM 355 CG LEU A 51 7.634 12.861 0.705 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.301 12.837 -0.659 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.131 13.037 0.542 1.00 1.22 C ATOM 0 H LEU A 51 8.884 9.804 2.883 1.00 0.38 H new ATOM 0 HA LEU A 51 8.540 12.560 3.279 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.934 11.216 1.142 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.229 10.813 1.180 1.00 0.48 H new ATOM 0 HG LEU A 51 8.018 13.703 1.281 1.00 0.70 H new ATOM 0 HD11 LEU A 51 8.067 13.757 -1.195 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.381 12.754 -0.535 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.935 11.983 -1.228 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.930 13.960 -0.002 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.724 12.192 -0.013 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.662 13.086 1.525 1.00 1.22 H new ATOM 369 N MET A 52 5.809 10.744 3.662 1.00 0.39 N ATOM 370 CA MET A 52 4.472 10.799 4.235 1.00 0.37 C ATOM 371 C MET A 52 4.536 11.156 5.716 1.00 0.41 C ATOM 372 O MET A 52 3.650 11.827 6.246 1.00 0.47 O ATOM 373 CB MET A 52 3.740 9.468 4.046 1.00 0.33 C ATOM 374 CG MET A 52 3.255 9.230 2.642 1.00 1.29 C ATOM 375 SD MET A 52 2.128 7.832 2.529 1.00 1.25 S ATOM 376 CE MET A 52 3.198 6.489 3.030 1.00 0.31 C ATOM 0 H MET A 52 6.110 9.814 3.371 1.00 0.39 H new ATOM 0 HA MET A 52 3.915 11.576 3.711 1.00 0.37 H new ATOM 0 HB2 MET A 52 4.407 8.655 4.332 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.888 9.434 4.724 1.00 0.33 H new ATOM 0 HG2 MET A 52 2.754 10.127 2.277 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.111 9.056 1.990 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.604 5.588 3.182 1.00 0.31 H new ATOM 0 HE2 MET A 52 3.941 6.307 2.254 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.702 6.753 3.960 1.00 0.31 H new ATOM 386 N SER A 53 5.603 10.723 6.374 1.00 0.40 N ATOM 387 CA SER A 53 5.804 11.003 7.788 1.00 0.47 C ATOM 388 C SER A 53 6.182 12.472 7.996 1.00 0.50 C ATOM 389 O SER A 53 6.146 12.979 9.116 1.00 0.62 O ATOM 390 CB SER A 53 6.889 10.077 8.348 1.00 0.52 C ATOM 391 OG SER A 53 6.975 10.158 9.762 1.00 1.15 O ATOM 0 H SER A 53 6.348 10.172 5.946 1.00 0.40 H new ATOM 0 HA SER A 53 4.873 10.817 8.324 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.675 9.049 8.056 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.852 10.340 7.910 1.00 0.52 H new ATOM 0 HG SER A 53 7.676 9.553 10.082 1.00 1.15 H new ATOM 397 N SER A 54 6.528 13.154 6.909 1.00 0.49 N ATOM 398 CA SER A 54 6.889 14.564 6.969 1.00 0.53 C ATOM 399 C SER A 54 5.713 15.439 6.533 1.00 0.53 C ATOM 400 O SER A 54 5.798 16.669 6.533 1.00 0.53 O ATOM 401 CB SER A 54 8.100 14.825 6.075 1.00 0.60 C ATOM 402 OG SER A 54 9.165 13.951 6.402 1.00 1.30 O ATOM 0 H SER A 54 6.566 12.750 5.973 1.00 0.49 H new ATOM 0 HA SER A 54 7.142 14.818 7.998 1.00 0.53 H new ATOM 0 HB2 SER A 54 7.822 14.691 5.030 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.425 15.859 6.188 1.00 0.60 H new ATOM 0 HG SER A 54 8.940 13.040 6.118 1.00 1.30 H new ATOM 408 N LEU A 55 4.620 14.793 6.153 1.00 0.54 N ATOM 409 CA LEU A 55 3.430 15.502 5.705 1.00 0.57 C ATOM 410 C LEU A 55 2.464 15.739 6.861 1.00 0.65 C ATOM 411 O LEU A 55 1.991 14.794 7.494 1.00 0.65 O ATOM 412 CB LEU A 55 2.726 14.722 4.594 1.00 0.51 C ATOM 413 CG LEU A 55 3.511 14.576 3.290 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.699 13.799 2.270 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.895 15.941 2.737 1.00 0.64 C ATOM 0 H LEU A 55 4.533 13.777 6.146 1.00 0.54 H new ATOM 0 HA LEU A 55 3.748 16.469 5.315 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.489 13.726 4.968 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.778 15.214 4.374 1.00 0.51 H new ATOM 0 HG LEU A 55 4.427 14.023 3.500 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.270 13.703 1.347 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.475 12.807 2.663 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.768 14.328 2.067 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.453 15.814 1.809 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.993 16.521 2.542 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.514 16.467 3.464 1.00 0.64 H new ATOM 427 N PRO A 56 2.151 17.014 7.144 1.00 0.81 N ATOM 428 CA PRO A 56 1.220 17.383 8.211 1.00 0.94 C ATOM 429 C PRO A 56 -0.237 17.199 7.794 1.00 0.88 C ATOM 430 O PRO A 56 -1.138 17.172 8.631 1.00 1.19 O ATOM 431 CB PRO A 56 1.534 18.860 8.445 1.00 1.14 C ATOM 432 CG PRO A 56 2.016 19.361 7.127 1.00 1.26 C ATOM 433 CD PRO A 56 2.691 18.198 6.446 1.00 0.98 C ATOM 0 HA PRO A 56 1.338 16.762 9.099 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.650 19.405 8.776 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.293 18.985 9.217 1.00 1.14 H new ATOM 0 HG2 PRO A 56 1.186 19.733 6.527 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.711 20.190 7.258 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.463 18.172 5.380 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.776 18.256 6.538 1.00 0.98 H new ATOM 441 N ASN A 57 -0.457 17.066 6.491 1.00 0.63 N ATOM 442 CA ASN A 57 -1.794 16.845 5.958 1.00 0.62 C ATOM 443 C ASN A 57 -2.094 15.354 5.909 1.00 0.57 C ATOM 444 O ASN A 57 -3.250 14.939 5.777 1.00 0.59 O ATOM 445 CB ASN A 57 -1.945 17.456 4.559 1.00 0.68 C ATOM 446 CG ASN A 57 -1.031 16.819 3.527 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.087 16.404 3.836 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.505 16.730 2.295 1.00 1.73 N ATOM 0 H ASN A 57 0.276 17.108 5.783 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.507 17.337 6.620 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.980 17.350 4.233 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.735 18.524 4.611 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.939 16.305 1.560 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.436 17.086 2.080 1.00 1.73 H new ATOM 455 N PHE A 58 -1.044 14.550 6.015 1.00 0.62 N ATOM 456 CA PHE A 58 -1.189 13.105 6.036 1.00 0.70 C ATOM 457 C PHE A 58 -1.628 12.658 7.419 1.00 0.90 C ATOM 458 O PHE A 58 -0.869 12.083 8.198 1.00 1.77 O ATOM 459 CB PHE A 58 0.110 12.427 5.647 1.00 0.69 C ATOM 460 CG PHE A 58 -0.015 10.947 5.408 1.00 0.65 C ATOM 461 CD1 PHE A 58 1.013 10.100 5.754 1.00 0.89 C ATOM 462 CD2 PHE A 58 -1.151 10.404 4.833 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.923 8.745 5.534 1.00 0.90 C ATOM 464 CE2 PHE A 58 -1.248 9.043 4.615 1.00 1.15 C ATOM 465 CZ PHE A 58 -0.208 8.213 4.965 1.00 0.69 C ATOM 0 H PHE A 58 -0.081 14.878 6.088 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.948 12.817 5.309 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.497 12.898 4.743 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.845 12.596 6.434 1.00 0.69 H new ATOM 0 HD1 PHE A 58 1.906 10.506 6.206 1.00 0.89 H new ATOM 0 HD2 PHE A 58 -1.969 11.050 4.552 1.00 1.13 H new ATOM 0 HE1 PHE A 58 1.743 8.099 5.809 1.00 0.90 H new ATOM 0 HE2 PHE A 58 -2.141 8.630 4.169 1.00 1.15 H new ATOM 0 HZ PHE A 58 -0.281 7.149 4.793 1.00 0.69 H new ATOM 475 N SER A 59 -2.863 12.965 7.699 1.00 0.91 N ATOM 476 CA SER A 59 -3.494 12.645 8.968 1.00 1.02 C ATOM 477 C SER A 59 -4.959 12.262 8.757 1.00 1.10 C ATOM 478 O SER A 59 -5.508 11.443 9.497 1.00 1.84 O ATOM 479 CB SER A 59 -3.389 13.835 9.920 1.00 1.21 C ATOM 480 OG SER A 59 -2.033 14.207 10.110 1.00 1.84 O ATOM 0 H SER A 59 -3.478 13.453 7.048 1.00 0.91 H new ATOM 0 HA SER A 59 -2.976 11.793 9.410 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.950 14.679 9.518 1.00 1.21 H new ATOM 0 HB3 SER A 59 -3.839 13.580 10.879 1.00 1.21 H new ATOM 0 HG SER A 59 -1.986 14.972 10.721 1.00 1.84 H new ATOM 486 N GLY A 60 -5.582 12.849 7.736 1.00 0.91 N ATOM 487 CA GLY A 60 -6.955 12.534 7.424 1.00 0.87 C ATOM 488 C GLY A 60 -7.175 12.301 5.941 1.00 0.66 C ATOM 489 O GLY A 60 -8.243 11.833 5.542 1.00 0.73 O ATOM 0 H GLY A 60 -5.152 13.540 7.121 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.255 11.644 7.977 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -7.597 13.349 7.760 1.00 0.87 H new ATOM 493 N ILE A 61 -6.176 12.628 5.114 1.00 0.50 N ATOM 494 CA ILE A 61 -6.312 12.448 3.671 1.00 0.54 C ATOM 495 C ILE A 61 -6.476 10.978 3.301 1.00 0.73 C ATOM 496 O ILE A 61 -7.399 10.627 2.569 1.00 1.81 O ATOM 497 CB ILE A 61 -5.144 13.068 2.856 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.775 12.681 3.431 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.292 14.581 2.782 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.610 13.351 2.728 1.00 0.78 C ATOM 0 H ILE A 61 -5.280 13.012 5.415 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.218 12.991 3.400 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.195 12.661 1.846 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.748 12.941 4.489 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.655 11.600 3.365 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.466 15.000 2.208 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.235 14.831 2.296 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.281 14.997 3.789 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.675 13.031 3.187 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.611 13.071 1.675 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.706 14.433 2.816 1.00 0.78 H new ATOM 512 N PHE A 62 -5.608 10.111 3.813 1.00 0.58 N ATOM 513 CA PHE A 62 -5.680 8.689 3.499 1.00 0.50 C ATOM 514 C PHE A 62 -5.740 7.884 4.790 1.00 0.51 C ATOM 515 O PHE A 62 -5.046 8.202 5.756 1.00 0.76 O ATOM 516 CB PHE A 62 -4.441 8.249 2.724 1.00 0.50 C ATOM 517 CG PHE A 62 -3.976 9.209 1.669 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.844 9.707 0.715 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.651 9.597 1.628 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.397 10.575 -0.256 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.200 10.464 0.662 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.073 10.953 -0.285 1.00 0.59 C ATOM 0 H PHE A 62 -4.849 10.367 4.445 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.572 8.517 2.896 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.627 8.088 3.431 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -4.648 7.288 2.253 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.883 9.412 0.732 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.960 9.214 2.365 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.085 10.959 -0.995 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.162 10.762 0.645 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.720 11.631 -1.048 1.00 0.59 H new ATOM 532 N THR A 63 -6.561 6.852 4.818 1.00 0.34 N ATOM 533 CA THR A 63 -6.663 6.016 6.001 1.00 0.38 C ATOM 534 C THR A 63 -5.717 4.814 5.928 1.00 0.30 C ATOM 535 O THR A 63 -4.981 4.535 6.873 1.00 0.38 O ATOM 536 CB THR A 63 -8.122 5.557 6.256 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.183 4.629 7.350 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.755 4.935 5.022 1.00 0.66 C ATOM 0 H THR A 63 -7.163 6.573 4.043 1.00 0.34 H new ATOM 0 HA THR A 63 -6.356 6.629 6.848 1.00 0.38 H new ATOM 0 HB THR A 63 -8.690 6.452 6.509 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.048 4.169 7.341 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.776 4.630 5.251 1.00 0.66 H new ATOM 0 HG22 THR A 63 -8.768 5.665 4.212 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.176 4.064 4.716 1.00 0.66 H new ATOM 546 N HIS A 64 -5.734 4.107 4.808 1.00 0.26 N ATOM 547 CA HIS A 64 -5.006 2.839 4.693 1.00 0.25 C ATOM 548 C HIS A 64 -3.604 2.980 4.114 1.00 0.25 C ATOM 549 O HIS A 64 -2.777 2.081 4.272 1.00 0.54 O ATOM 550 CB HIS A 64 -5.804 1.840 3.863 1.00 0.33 C ATOM 551 CG HIS A 64 -6.851 1.143 4.659 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.175 -0.181 4.484 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.629 1.588 5.667 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.104 -0.518 5.356 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.399 0.536 6.088 1.00 0.68 N ATOM 0 H HIS A 64 -6.239 4.383 3.966 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.886 2.475 5.713 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.273 2.360 3.028 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.124 1.102 3.437 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.762 -0.804 3.790 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.642 2.590 6.069 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.550 -1.497 5.454 1.00 0.83 H new ATOM 564 N LEU A 65 -3.335 4.098 3.462 1.00 0.32 N ATOM 565 CA LEU A 65 -2.109 4.254 2.679 1.00 0.22 C ATOM 566 C LEU A 65 -0.843 4.094 3.536 1.00 0.20 C ATOM 567 O LEU A 65 0.115 3.446 3.113 1.00 0.24 O ATOM 568 CB LEU A 65 -2.120 5.601 1.939 1.00 0.29 C ATOM 569 CG LEU A 65 -2.900 5.623 0.605 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.143 4.879 -0.478 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.281 5.017 0.765 1.00 0.99 C ATOM 0 H LEU A 65 -3.946 4.915 3.456 1.00 0.32 H new ATOM 0 HA LEU A 65 -2.083 3.451 1.942 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.546 6.355 2.601 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -1.089 5.895 1.742 1.00 0.29 H new ATOM 0 HG LEU A 65 -3.008 6.667 0.311 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.713 4.909 -1.407 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.172 5.350 -0.633 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -1.999 3.842 -0.174 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.805 5.047 -0.191 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.188 3.982 1.095 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.844 5.585 1.505 1.00 0.99 H new ATOM 583 N GLU A 66 -0.852 4.640 4.749 1.00 0.30 N ATOM 584 CA GLU A 66 0.311 4.529 5.633 1.00 0.40 C ATOM 585 C GLU A 66 0.560 3.078 6.033 1.00 0.38 C ATOM 586 O GLU A 66 1.694 2.594 5.987 1.00 0.38 O ATOM 587 CB GLU A 66 0.138 5.378 6.895 1.00 0.53 C ATOM 588 CG GLU A 66 1.311 5.258 7.861 1.00 0.88 C ATOM 589 CD GLU A 66 1.129 6.068 9.123 1.00 1.12 C ATOM 590 OE1 GLU A 66 1.749 7.146 9.235 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.374 5.628 10.017 1.00 1.75 O ATOM 0 H GLU A 66 -1.639 5.158 5.141 1.00 0.30 H new ATOM 0 HA GLU A 66 1.171 4.900 5.075 1.00 0.40 H new ATOM 0 HB2 GLU A 66 0.016 6.423 6.609 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.777 5.078 7.405 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.449 4.210 8.127 1.00 0.88 H new ATOM 0 HG3 GLU A 66 2.222 5.582 7.358 1.00 0.88 H new ATOM 598 N ARG A 67 -0.506 2.378 6.407 1.00 0.42 N ATOM 599 CA ARG A 67 -0.383 1.010 6.891 1.00 0.44 C ATOM 600 C ARG A 67 0.109 0.084 5.788 1.00 0.39 C ATOM 601 O ARG A 67 0.804 -0.892 6.051 1.00 0.40 O ATOM 602 CB ARG A 67 -1.715 0.495 7.434 1.00 0.54 C ATOM 603 CG ARG A 67 -1.640 -0.944 7.905 1.00 0.74 C ATOM 604 CD ARG A 67 -3.002 -1.485 8.277 1.00 0.86 C ATOM 605 NE ARG A 67 -3.009 -2.939 8.267 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.078 -3.682 8.533 1.00 1.45 C ATOM 607 NH1 ARG A 67 -5.207 -3.108 8.939 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.008 -5.000 8.412 1.00 2.07 N ATOM 0 H ARG A 67 -1.461 2.735 6.384 1.00 0.42 H new ATOM 0 HA ARG A 67 0.347 1.017 7.700 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.033 1.128 8.263 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.476 0.579 6.658 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.206 -1.562 7.119 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.975 -1.010 8.766 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -3.282 -1.124 9.267 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.749 -1.110 7.577 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.138 -3.419 8.041 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -5.254 -2.095 9.047 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -6.026 -3.681 9.142 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -3.136 -5.439 8.116 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.826 -5.575 8.615 1.00 2.07 H new ATOM 622 N LEU A 68 -0.235 0.397 4.548 1.00 0.35 N ATOM 623 CA LEU A 68 0.161 -0.440 3.427 1.00 0.34 C ATOM 624 C LEU A 68 1.656 -0.337 3.149 1.00 0.31 C ATOM 625 O LEU A 68 2.230 -1.195 2.485 1.00 0.40 O ATOM 626 CB LEU A 68 -0.667 -0.111 2.188 1.00 0.33 C ATOM 627 CG LEU A 68 -2.103 -0.635 2.238 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.792 -0.421 0.908 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.127 -2.108 2.617 1.00 0.61 C ATOM 0 H LEU A 68 -0.784 1.219 4.294 1.00 0.35 H new ATOM 0 HA LEU A 68 -0.039 -1.477 3.697 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.691 0.971 2.057 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.170 -0.527 1.311 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.643 -0.076 3.003 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.813 -0.800 0.962 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.812 0.644 0.676 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.248 -0.953 0.127 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.158 -2.459 2.646 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.569 -2.683 1.878 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.671 -2.239 3.598 1.00 0.61 H new ATOM 641 N LEU A 69 2.293 0.686 3.700 1.00 0.27 N ATOM 642 CA LEU A 69 3.750 0.752 3.671 1.00 0.24 C ATOM 643 C LEU A 69 4.281 -0.086 4.825 1.00 0.25 C ATOM 644 O LEU A 69 5.287 -0.798 4.718 1.00 0.26 O ATOM 645 CB LEU A 69 4.271 2.195 3.777 1.00 0.25 C ATOM 646 CG LEU A 69 4.267 3.022 2.478 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.652 3.558 2.182 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.770 2.204 1.302 1.00 0.30 C ATOM 0 H LEU A 69 1.835 1.470 4.165 1.00 0.27 H new ATOM 0 HA LEU A 69 4.101 0.365 2.714 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.670 2.721 4.519 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.292 2.162 4.158 1.00 0.25 H new ATOM 0 HG LEU A 69 3.584 3.859 2.626 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.628 4.139 1.260 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.979 4.195 3.004 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.347 2.726 2.068 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.780 2.818 0.401 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.419 1.340 1.159 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.753 1.865 1.499 1.00 0.30 H new ATOM 660 N ASP A 70 3.529 -0.069 5.909 1.00 0.29 N ATOM 661 CA ASP A 70 3.916 -0.779 7.106 1.00 0.35 C ATOM 662 C ASP A 70 3.878 -2.275 6.841 1.00 0.38 C ATOM 663 O ASP A 70 4.719 -3.020 7.339 1.00 0.43 O ATOM 664 CB ASP A 70 2.999 -0.403 8.270 1.00 0.43 C ATOM 665 CG ASP A 70 3.298 -1.179 9.539 1.00 0.91 C ATOM 666 OD1 ASP A 70 2.835 -2.332 9.660 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.980 -0.629 10.430 1.00 1.56 O ATOM 0 H ASP A 70 2.643 0.432 5.982 1.00 0.29 H new ATOM 0 HA ASP A 70 4.933 -0.498 7.381 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.097 0.664 8.472 1.00 0.43 H new ATOM 0 HB3 ASP A 70 1.963 -0.578 7.980 1.00 0.43 H new ATOM 672 N GLU A 71 2.900 -2.715 6.048 1.00 0.42 N ATOM 673 CA GLU A 71 2.832 -4.101 5.611 1.00 0.50 C ATOM 674 C GLU A 71 3.878 -4.389 4.539 1.00 0.45 C ATOM 675 O GLU A 71 4.707 -5.277 4.705 1.00 0.48 O ATOM 676 CB GLU A 71 1.442 -4.417 5.042 1.00 0.61 C ATOM 677 CG GLU A 71 0.279 -3.971 5.920 1.00 0.94 C ATOM 678 CD GLU A 71 0.271 -4.625 7.285 1.00 1.47 C ATOM 679 OE1 GLU A 71 -0.514 -4.185 8.152 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.052 -5.573 7.503 1.00 2.18 O ATOM 0 H GLU A 71 2.145 -2.126 5.697 1.00 0.42 H new ATOM 0 HA GLU A 71 3.027 -4.729 6.481 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.347 -3.941 4.066 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.366 -5.492 4.880 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.321 -2.889 6.044 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.658 -4.197 5.411 1.00 0.94 H new ATOM 687 N GLU A 72 3.850 -3.609 3.455 1.00 0.43 N ATOM 688 CA GLU A 72 4.673 -3.892 2.276 1.00 0.45 C ATOM 689 C GLU A 72 6.158 -3.755 2.596 1.00 0.42 C ATOM 690 O GLU A 72 6.946 -4.637 2.290 1.00 0.47 O ATOM 691 CB GLU A 72 4.297 -2.958 1.123 1.00 0.46 C ATOM 692 CG GLU A 72 5.063 -3.224 -0.164 1.00 0.57 C ATOM 693 CD GLU A 72 4.740 -4.570 -0.782 1.00 0.91 C ATOM 694 OE1 GLU A 72 5.316 -5.581 -0.344 1.00 1.69 O ATOM 695 OE2 GLU A 72 3.914 -4.621 -1.715 1.00 1.33 O ATOM 0 H GLU A 72 3.266 -2.777 3.369 1.00 0.43 H new ATOM 0 HA GLU A 72 4.481 -4.922 1.975 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.229 -3.054 0.925 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.473 -1.927 1.432 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.837 -2.437 -0.883 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.133 -3.172 0.040 1.00 0.57 H new ATOM 702 N ILE A 73 6.516 -2.667 3.260 1.00 0.35 N ATOM 703 CA ILE A 73 7.905 -2.420 3.629 1.00 0.34 C ATOM 704 C ILE A 73 8.390 -3.530 4.541 1.00 0.40 C ATOM 705 O ILE A 73 9.507 -4.030 4.402 1.00 0.45 O ATOM 706 CB ILE A 73 8.071 -1.054 4.326 1.00 0.29 C ATOM 707 CG1 ILE A 73 7.989 0.062 3.294 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.372 -0.973 5.109 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.075 1.447 3.887 1.00 0.27 C ATOM 0 H ILE A 73 5.865 -1.939 3.555 1.00 0.35 H new ATOM 0 HA ILE A 73 8.503 -2.402 2.718 1.00 0.34 H new ATOM 0 HB ILE A 73 7.260 -0.938 5.045 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.795 -0.064 2.571 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.052 -0.031 2.746 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.450 0.005 5.585 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.386 -1.750 5.873 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.214 -1.115 4.431 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.009 2.188 3.091 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.254 1.594 4.588 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.024 1.560 4.411 1.00 0.27 H new ATOM 721 N SER A 74 7.521 -3.934 5.451 1.00 0.41 N ATOM 722 CA SER A 74 7.843 -5.022 6.371 1.00 0.49 C ATOM 723 C SER A 74 8.047 -6.347 5.625 1.00 0.54 C ATOM 724 O SER A 74 9.050 -7.035 5.819 1.00 0.60 O ATOM 725 CB SER A 74 6.737 -5.179 7.418 1.00 0.52 C ATOM 726 OG SER A 74 7.039 -6.206 8.346 1.00 1.34 O ATOM 0 H SER A 74 6.592 -3.531 5.576 1.00 0.41 H new ATOM 0 HA SER A 74 8.778 -4.766 6.870 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.601 -4.237 7.949 1.00 0.52 H new ATOM 0 HB3 SER A 74 5.793 -5.403 6.920 1.00 0.52 H new ATOM 0 HG SER A 74 6.314 -6.279 9.001 1.00 1.34 H new ATOM 732 N ARG A 75 7.128 -6.666 4.725 1.00 0.55 N ATOM 733 CA ARG A 75 7.137 -7.980 4.086 1.00 0.63 C ATOM 734 C ARG A 75 8.216 -8.052 3.014 1.00 0.65 C ATOM 735 O ARG A 75 8.840 -9.091 2.836 1.00 0.72 O ATOM 736 CB ARG A 75 5.768 -8.369 3.513 1.00 0.74 C ATOM 737 CG ARG A 75 5.165 -7.375 2.569 1.00 0.76 C ATOM 738 CD ARG A 75 3.927 -7.953 1.924 1.00 1.25 C ATOM 739 NE ARG A 75 3.707 -7.347 0.635 1.00 1.84 N ATOM 740 CZ ARG A 75 2.705 -7.640 -0.184 1.00 2.73 C ATOM 741 NH1 ARG A 75 1.851 -8.604 0.121 1.00 3.05 N ATOM 742 NH2 ARG A 75 2.567 -6.974 -1.322 1.00 3.67 N ATOM 0 H ARG A 75 6.377 -6.046 4.422 1.00 0.55 H new ATOM 0 HA ARG A 75 7.368 -8.707 4.864 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.867 -9.323 2.996 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.077 -8.525 4.341 1.00 0.74 H new ATOM 0 HG2 ARG A 75 4.911 -6.461 3.105 1.00 0.76 H new ATOM 0 HG3 ARG A 75 5.891 -7.104 1.802 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.036 -9.032 1.813 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.062 -7.785 2.565 1.00 1.25 H new ATOM 0 HE ARG A 75 4.373 -6.638 0.329 1.00 1.84 H new ATOM 0 HH11 ARG A 75 1.961 -9.127 0.990 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.083 -8.824 -0.513 1.00 3.05 H new ATOM 0 HH21 ARG A 75 3.230 -6.238 -1.566 1.00 3.67 H new ATOM 0 HH22 ARG A 75 1.798 -7.197 -1.953 1.00 3.67 H new ATOM 756 N VAL A 76 8.457 -6.936 2.333 1.00 0.62 N ATOM 757 CA VAL A 76 9.519 -6.850 1.334 1.00 0.67 C ATOM 758 C VAL A 76 10.881 -7.158 1.958 1.00 0.71 C ATOM 759 O VAL A 76 11.755 -7.729 1.308 1.00 0.84 O ATOM 760 CB VAL A 76 9.549 -5.448 0.669 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.836 -5.219 -0.100 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.366 -5.271 -0.266 1.00 0.58 C ATOM 0 H VAL A 76 7.928 -6.073 2.456 1.00 0.62 H new ATOM 0 HA VAL A 76 9.308 -7.594 0.566 1.00 0.67 H new ATOM 0 HB VAL A 76 9.491 -4.713 1.472 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.819 -4.227 -0.551 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.684 -5.294 0.580 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.931 -5.972 -0.883 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.407 -4.281 -0.721 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.402 -6.031 -1.046 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.438 -5.373 0.297 1.00 0.58 H new ATOM 772 N ARG A 77 11.032 -6.822 3.233 1.00 0.65 N ATOM 773 CA ARG A 77 12.301 -7.006 3.926 1.00 0.73 C ATOM 774 C ARG A 77 12.642 -8.488 4.069 1.00 0.86 C ATOM 775 O ARG A 77 13.795 -8.888 3.910 1.00 0.98 O ATOM 776 CB ARG A 77 12.262 -6.343 5.305 1.00 0.75 C ATOM 777 CG ARG A 77 12.332 -4.825 5.254 1.00 0.81 C ATOM 778 CD ARG A 77 12.215 -4.211 6.641 1.00 0.84 C ATOM 779 NE ARG A 77 13.256 -4.693 7.551 1.00 1.39 N ATOM 780 CZ ARG A 77 13.513 -4.152 8.742 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.833 -3.089 9.158 1.00 1.45 N ATOM 782 NH2 ARG A 77 14.461 -4.667 9.512 1.00 2.73 N ATOM 0 H ARG A 77 10.291 -6.421 3.808 1.00 0.65 H new ATOM 0 HA ARG A 77 13.078 -6.532 3.327 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.345 -6.639 5.815 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.094 -6.717 5.902 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.274 -4.519 4.798 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.532 -4.445 4.619 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.278 -3.126 6.562 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.235 -4.444 7.058 1.00 0.84 H new ATOM 0 HE ARG A 77 13.819 -5.491 7.256 1.00 1.39 H new ATOM 0 HH11 ARG A 77 12.110 -2.682 8.565 1.00 1.45 H new ATOM 0 HH12 ARG A 77 13.034 -2.680 10.070 1.00 1.45 H new ATOM 0 HH21 ARG A 77 14.993 -5.477 9.193 1.00 2.73 H new ATOM 0 HH22 ARG A 77 14.658 -4.254 10.423 1.00 2.73 H new ATOM 796 N LYS A 78 11.638 -9.303 4.367 1.00 0.90 N ATOM 797 CA LYS A 78 11.849 -10.736 4.517 1.00 1.08 C ATOM 798 C LYS A 78 11.747 -11.435 3.171 1.00 1.11 C ATOM 799 O LYS A 78 12.509 -12.354 2.873 1.00 1.32 O ATOM 800 CB LYS A 78 10.830 -11.336 5.487 1.00 1.13 C ATOM 801 CG LYS A 78 10.971 -10.836 6.914 1.00 1.35 C ATOM 802 CD LYS A 78 10.280 -9.498 7.104 1.00 2.01 C ATOM 803 CE LYS A 78 8.794 -9.668 7.383 1.00 2.67 C ATOM 804 NZ LYS A 78 8.541 -10.379 8.666 1.00 3.44 N ATOM 0 H LYS A 78 10.675 -8.998 4.509 1.00 0.90 H new ATOM 0 HA LYS A 78 12.850 -10.886 4.921 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.826 -11.108 5.130 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.932 -12.421 5.481 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.545 -11.568 7.601 1.00 1.35 H new ATOM 0 HG3 LYS A 78 12.027 -10.740 7.165 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.747 -8.961 7.930 1.00 2.01 H new ATOM 0 HD3 LYS A 78 10.415 -8.888 6.211 1.00 2.01 H new ATOM 0 HE2 LYS A 78 8.317 -8.688 7.412 1.00 2.67 H new ATOM 0 HE3 LYS A 78 8.334 -10.222 6.565 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 7.589 -10.143 9.012 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 8.609 -11.405 8.513 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 9.248 -10.086 9.370 1.00 3.44 H new ATOM 999 N THR B 38 -11.462 -6.976 6.553 1.00 0.97 N ATOM 1000 CA THR B 38 -12.881 -7.217 6.349 1.00 0.84 C ATOM 1001 C THR B 38 -13.387 -6.292 5.233 1.00 0.72 C ATOM 1002 O THR B 38 -12.574 -5.589 4.631 1.00 0.66 O ATOM 1003 CB THR B 38 -13.647 -6.965 7.666 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.410 -5.627 8.128 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.214 -7.954 8.738 1.00 0.95 C ATOM 0 HA THR B 38 -13.048 -8.253 6.053 1.00 0.84 H new ATOM 0 HB THR B 38 -14.711 -7.099 7.471 1.00 0.79 H new ATOM 0 HG1 THR B 38 -14.222 -5.092 8.010 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.766 -7.759 9.657 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.419 -8.970 8.400 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.146 -7.843 8.925 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.696 -6.267 4.892 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.214 -5.284 3.932 1.00 0.70 C ATOM 1015 C PRO B 39 -14.854 -3.857 4.330 1.00 0.62 C ATOM 1016 O PRO B 39 -14.604 -3.011 3.480 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.723 -5.490 3.980 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.882 -6.913 4.383 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.756 -7.193 5.342 1.00 0.83 C ATOM 0 HA PRO B 39 -14.792 -5.422 2.937 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.195 -4.818 4.697 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.183 -5.296 3.011 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.850 -7.080 4.856 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.832 -7.573 3.517 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.048 -7.000 6.374 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.432 -8.232 5.291 1.00 0.83 H new ATOM 1027 N ASP B 40 -14.793 -3.612 5.635 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.397 -2.309 6.167 1.00 0.64 C ATOM 1029 C ASP B 40 -13.025 -1.921 5.630 1.00 0.57 C ATOM 1030 O ASP B 40 -12.747 -0.750 5.362 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.347 -2.353 7.697 1.00 0.72 C ATOM 1032 CG ASP B 40 -15.599 -2.947 8.304 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.528 -2.186 8.638 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -15.662 -4.189 8.445 1.00 2.16 O ATOM 0 H ASP B 40 -15.015 -4.304 6.351 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.133 -1.569 5.853 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -13.483 -2.938 8.012 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.206 -1.343 8.081 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.183 -2.929 5.456 1.00 0.57 N ATOM 1040 CA TYR B 41 -10.841 -2.742 4.935 1.00 0.54 C ATOM 1041 C TYR B 41 -10.905 -2.292 3.479 1.00 0.46 C ATOM 1042 O TYR B 41 -10.112 -1.459 3.038 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.055 -4.052 5.050 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.554 -3.908 4.930 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -7.927 -3.862 3.690 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -7.761 -3.834 6.068 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.553 -3.745 3.591 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.391 -3.715 5.975 1.00 0.88 C ATOM 1049 CZ TYR B 41 -5.790 -3.674 4.737 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.423 -3.555 4.651 1.00 0.82 O ATOM 0 H TYR B 41 -12.413 -3.899 5.673 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.334 -1.972 5.517 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.285 -4.514 6.010 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.403 -4.736 4.276 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.522 -3.919 2.791 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.226 -3.870 7.042 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.080 -3.709 2.621 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -5.791 -3.654 6.871 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.104 -4.022 3.851 1.00 0.82 H new ATOM 1060 N LEU B 42 -11.879 -2.822 2.749 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.023 -2.522 1.333 1.00 0.39 C ATOM 1062 C LEU B 42 -12.763 -1.208 1.123 1.00 0.36 C ATOM 1063 O LEU B 42 -12.481 -0.476 0.180 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.760 -3.653 0.608 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.005 -3.419 -0.889 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.692 -3.225 -1.624 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.786 -4.574 -1.495 1.00 0.48 C ATOM 0 H LEU B 42 -12.582 -3.463 3.117 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.021 -2.428 0.915 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.187 -4.573 0.727 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.721 -3.811 1.097 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.597 -2.510 -0.996 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.889 -3.061 -2.683 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.170 -2.361 -1.214 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.073 -4.114 -1.504 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.948 -4.386 -2.556 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.222 -5.499 -1.372 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.749 -4.666 -0.992 1.00 0.48 H new ATOM 1079 N MET B 43 -13.679 -0.882 2.027 1.00 0.39 N ATOM 1080 CA MET B 43 -14.520 0.293 1.856 1.00 0.40 C ATOM 1081 C MET B 43 -13.694 1.542 2.087 1.00 0.36 C ATOM 1082 O MET B 43 -13.877 2.560 1.420 1.00 0.36 O ATOM 1083 CB MET B 43 -15.718 0.268 2.815 1.00 0.47 C ATOM 1084 CG MET B 43 -17.012 -0.247 2.217 1.00 0.63 C ATOM 1085 SD MET B 43 -17.120 -2.052 2.117 1.00 0.85 S ATOM 1086 CE MET B 43 -16.161 -2.414 0.644 1.00 0.54 C ATOM 0 H MET B 43 -13.857 -1.412 2.880 1.00 0.39 H new ATOM 0 HA MET B 43 -14.910 0.292 0.838 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.462 -0.351 3.675 1.00 0.47 H new ATOM 0 HB3 MET B 43 -15.886 1.278 3.188 1.00 0.47 H new ATOM 0 HG2 MET B 43 -17.846 0.123 2.813 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.127 0.168 1.216 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.634 -3.227 0.093 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.114 -1.526 0.013 1.00 0.54 H new ATOM 0 HE3 MET B 43 -15.151 -2.709 0.930 1.00 0.54 H new ATOM 1096 N GLN B 44 -12.765 1.436 3.024 1.00 0.36 N ATOM 1097 CA GLN B 44 -11.838 2.519 3.310 1.00 0.35 C ATOM 1098 C GLN B 44 -10.856 2.696 2.160 1.00 0.30 C ATOM 1099 O GLN B 44 -10.450 3.808 1.841 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.080 2.240 4.604 1.00 0.42 C ATOM 1101 CG GLN B 44 -11.912 2.439 5.858 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.116 2.177 7.118 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.471 3.076 7.659 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.151 0.942 7.591 1.00 0.75 N ATOM 0 H GLN B 44 -12.633 0.606 3.602 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.410 3.439 3.428 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.711 1.215 4.584 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.208 2.892 4.651 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.297 3.458 5.879 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -12.774 1.773 5.830 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -11.698 0.227 7.111 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -10.631 0.704 8.435 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.482 1.588 1.537 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.569 1.623 0.406 1.00 0.25 C ATOM 1115 C LEU B 45 -10.218 2.252 -0.817 1.00 0.23 C ATOM 1116 O LEU B 45 -9.546 2.918 -1.608 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.098 0.216 0.056 1.00 0.29 C ATOM 1118 CG LEU B 45 -7.931 -0.309 0.884 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.617 -1.743 0.498 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.712 0.571 0.678 1.00 0.31 C ATOM 0 H LEU B 45 -10.797 0.653 1.796 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.715 2.234 0.699 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -9.939 -0.469 0.169 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -8.812 0.198 -0.996 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.207 -0.286 1.938 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -6.782 -2.106 1.097 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.492 -2.368 0.678 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.352 -1.786 -0.558 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -5.883 0.189 1.273 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.434 0.567 -0.376 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -6.942 1.590 0.989 1.00 0.31 H new ATOM 1132 N MET B 46 -11.521 2.055 -0.962 1.00 0.26 N ATOM 1133 CA MET B 46 -12.227 2.539 -2.138 1.00 0.27 C ATOM 1134 C MET B 46 -12.155 4.050 -2.224 1.00 0.26 C ATOM 1135 O MET B 46 -11.925 4.600 -3.296 1.00 0.40 O ATOM 1136 CB MET B 46 -13.691 2.097 -2.145 1.00 0.33 C ATOM 1137 CG MET B 46 -13.880 0.596 -2.261 1.00 0.38 C ATOM 1138 SD MET B 46 -15.571 0.133 -2.686 1.00 0.49 S ATOM 1139 CE MET B 46 -16.503 1.012 -1.435 1.00 0.49 C ATOM 0 H MET B 46 -12.107 1.567 -0.285 1.00 0.26 H new ATOM 0 HA MET B 46 -11.734 2.103 -3.006 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.169 2.444 -1.229 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.203 2.583 -2.976 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.200 0.207 -3.019 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.606 0.126 -1.316 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.264 0.352 -1.017 1.00 0.49 H new ATOM 0 HE2 MET B 46 -15.830 1.338 -0.642 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.983 1.882 -1.883 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.313 4.727 -1.095 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.344 6.180 -1.106 1.00 0.30 C ATOM 1151 C ASN B 47 -10.931 6.742 -1.080 1.00 0.26 C ATOM 1152 O ASN B 47 -10.705 7.874 -1.497 1.00 0.28 O ATOM 1153 CB ASN B 47 -13.157 6.728 0.075 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.491 6.510 1.419 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.740 5.509 2.094 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -11.649 7.449 1.822 1.00 1.43 N ATOM 0 H ASN B 47 -12.420 4.301 -0.175 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.832 6.497 -2.028 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.322 7.796 -0.071 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -14.138 6.252 0.083 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -11.178 7.359 2.722 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -11.471 8.262 1.232 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.978 5.940 -0.618 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.582 6.370 -0.552 1.00 0.25 C ATOM 1165 C ASP B 48 -7.993 6.447 -1.955 1.00 0.25 C ATOM 1166 O ASP B 48 -7.359 7.437 -2.326 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.749 5.408 0.304 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.698 5.787 1.777 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.380 6.750 2.186 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -6.958 5.120 2.538 1.00 0.74 O ATOM 0 H ASP B 48 -10.144 4.991 -0.284 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.554 7.357 -0.090 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.161 4.403 0.211 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.733 5.374 -0.089 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.235 5.401 -2.741 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.755 5.336 -4.118 1.00 0.27 C ATOM 1177 C LYS B 49 -8.425 6.418 -4.964 1.00 0.33 C ATOM 1178 O LYS B 49 -7.862 6.893 -5.948 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.039 3.946 -4.708 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.000 3.466 -5.718 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.034 4.268 -7.008 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.252 3.927 -7.853 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.217 2.523 -8.340 1.00 2.10 N ATOM 0 H LYS B 49 -8.765 4.581 -2.444 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.679 5.508 -4.125 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.097 3.224 -3.894 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.016 3.962 -5.190 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.007 3.537 -5.275 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.174 2.414 -5.943 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.040 5.333 -6.774 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.128 4.073 -7.581 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -9.156 4.084 -7.265 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -8.303 4.605 -8.705 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -8.863 2.420 -9.149 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.250 2.282 -8.637 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -8.514 1.883 -7.576 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.606 6.846 -4.550 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.357 7.825 -5.317 1.00 0.37 C ATOM 1199 C LYS B 50 -9.932 9.222 -4.906 1.00 0.39 C ATOM 1200 O LYS B 50 -9.739 10.097 -5.752 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.861 7.646 -5.113 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.395 6.339 -5.669 1.00 1.14 C ATOM 1203 CD LYS B 50 -13.880 6.183 -5.392 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.383 4.812 -5.811 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.169 4.552 -7.257 1.00 3.05 N ATOM 0 H LYS B 50 -10.063 6.533 -3.693 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.145 7.677 -6.376 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.084 7.696 -4.047 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.385 8.475 -5.588 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.218 6.300 -6.744 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -11.851 5.505 -5.226 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.071 6.333 -4.329 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.434 6.954 -5.927 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -13.873 4.046 -5.227 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -15.446 4.732 -5.583 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -14.646 3.668 -7.525 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -14.561 5.339 -7.813 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -13.150 4.467 -7.447 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.781 9.422 -3.600 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.285 10.677 -3.062 1.00 0.44 C ATOM 1221 C LEU B 51 -7.898 10.979 -3.617 1.00 0.43 C ATOM 1222 O LEU B 51 -7.616 12.115 -3.995 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.268 10.612 -1.527 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.086 11.949 -0.799 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.748 11.894 0.569 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.612 12.290 -0.644 1.00 1.22 C ATOM 0 H LEU B 51 -9.999 8.721 -2.892 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.948 11.487 -3.365 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.203 10.163 -1.192 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.465 9.942 -1.220 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.558 12.727 -1.398 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.613 12.849 1.077 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.813 11.694 0.450 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -9.294 11.100 1.161 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.512 13.243 -0.125 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -7.116 11.509 -0.068 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.150 12.363 -1.629 1.00 1.22 H new ATOM 1238 N MET B 52 -7.039 9.961 -3.704 1.00 0.39 N ATOM 1239 CA MET B 52 -5.716 10.140 -4.282 1.00 0.37 C ATOM 1240 C MET B 52 -5.815 10.446 -5.771 1.00 0.41 C ATOM 1241 O MET B 52 -5.004 11.192 -6.324 1.00 0.47 O ATOM 1242 CB MET B 52 -4.848 8.900 -4.056 1.00 0.33 C ATOM 1243 CG MET B 52 -4.342 8.753 -2.647 1.00 1.29 C ATOM 1244 SD MET B 52 -3.075 7.486 -2.497 1.00 1.25 S ATOM 1245 CE MET B 52 -3.996 6.024 -2.962 1.00 0.32 C ATOM 0 H MET B 52 -7.238 9.014 -3.383 1.00 0.39 H new ATOM 0 HA MET B 52 -5.245 10.987 -3.782 1.00 0.37 H new ATOM 0 HB2 MET B 52 -5.425 8.013 -4.318 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.996 8.938 -4.735 1.00 0.33 H new ATOM 0 HG2 MET B 52 -3.938 9.707 -2.308 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.176 8.508 -1.989 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.312 5.183 -3.073 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.730 5.795 -2.189 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.508 6.202 -3.908 1.00 0.32 H new ATOM 1255 N SER B 53 -6.830 9.887 -6.413 1.00 0.41 N ATOM 1256 CA SER B 53 -7.056 10.105 -7.834 1.00 0.47 C ATOM 1257 C SER B 53 -7.594 11.518 -8.080 1.00 0.51 C ATOM 1258 O SER B 53 -7.624 11.992 -9.215 1.00 0.62 O ATOM 1259 CB SER B 53 -8.035 9.053 -8.371 1.00 0.52 C ATOM 1260 OG SER B 53 -8.109 9.077 -9.790 1.00 1.15 O ATOM 0 H SER B 53 -7.514 9.275 -5.969 1.00 0.41 H new ATOM 0 HA SER B 53 -6.108 10.006 -8.363 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.722 8.063 -8.040 1.00 0.52 H new ATOM 0 HB3 SER B 53 -9.026 9.231 -7.952 1.00 0.52 H new ATOM 0 HG SER B 53 -7.891 9.976 -10.114 1.00 1.15 H new ATOM 1266 N SER B 54 -8.007 12.189 -7.011 1.00 0.49 N ATOM 1267 CA SER B 54 -8.516 13.549 -7.110 1.00 0.54 C ATOM 1268 C SER B 54 -7.439 14.557 -6.706 1.00 0.53 C ATOM 1269 O SER B 54 -7.649 15.772 -6.763 1.00 0.53 O ATOM 1270 CB SER B 54 -9.750 13.706 -6.219 1.00 0.60 C ATOM 1271 OG SER B 54 -10.714 12.710 -6.516 1.00 1.30 O ATOM 0 H SER B 54 -7.999 11.811 -6.064 1.00 0.49 H new ATOM 0 HA SER B 54 -8.796 13.745 -8.145 1.00 0.54 H new ATOM 0 HB2 SER B 54 -9.459 13.636 -5.171 1.00 0.60 H new ATOM 0 HB3 SER B 54 -10.185 14.695 -6.364 1.00 0.60 H new ATOM 0 HG SER B 54 -10.382 11.836 -6.224 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.285 14.042 -6.303 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.178 14.885 -5.877 1.00 0.57 C ATOM 1279 C LEU B 55 -4.240 15.196 -7.039 1.00 0.65 C ATOM 1280 O LEU B 55 -3.666 14.291 -7.645 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.396 14.216 -4.746 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.165 14.023 -3.438 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.277 13.364 -2.399 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.694 15.351 -2.920 1.00 0.65 C ATOM 0 H LEU B 55 -6.092 13.041 -6.262 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.600 15.822 -5.514 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.053 13.241 -5.092 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.507 14.812 -4.540 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.017 13.372 -3.634 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.837 13.232 -1.473 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.948 12.392 -2.766 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.408 13.994 -2.211 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.237 15.188 -1.989 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.860 16.029 -2.740 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.364 15.789 -3.659 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.066 16.488 -7.358 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.179 16.925 -8.437 1.00 0.95 C ATOM 1298 C PRO B 56 -1.711 16.906 -8.016 1.00 0.88 C ATOM 1299 O PRO B 56 -0.809 16.952 -8.852 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.644 18.354 -8.709 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.176 18.837 -7.402 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.728 17.627 -6.692 1.00 0.98 C ATOM 0 HA PRO B 56 -3.232 16.273 -9.309 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.821 18.979 -9.056 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.412 18.380 -9.482 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.389 19.307 -6.813 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.953 19.587 -7.552 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.502 17.652 -5.626 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.812 17.569 -6.786 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.484 16.832 -6.712 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.133 16.770 -6.173 1.00 0.62 C ATOM 1312 C ASN B 57 0.327 15.321 -6.083 1.00 0.57 C ATOM 1313 O ASN B 57 1.523 15.034 -5.954 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.053 17.433 -4.792 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.893 16.733 -3.738 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -1.963 16.198 -4.026 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.404 16.728 -2.510 1.00 1.73 N ATOM 0 H ASN B 57 -2.220 16.813 -6.006 1.00 0.63 H new ATOM 0 HA ASN B 57 0.525 17.317 -6.849 1.00 0.62 H new ATOM 0 HB2 ASN B 57 0.987 17.450 -4.465 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.378 18.470 -4.875 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -0.918 16.268 -1.758 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.487 17.184 -2.314 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.631 14.406 -6.162 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.331 12.986 -6.146 1.00 0.70 C ATOM 1326 C PHE B 58 0.153 12.552 -7.518 1.00 0.90 C ATOM 1327 O PHE B 58 -0.544 11.882 -8.279 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.550 12.185 -5.737 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.270 10.733 -5.459 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -2.202 9.772 -5.782 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -0.085 10.331 -4.870 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.968 8.441 -5.526 1.00 0.90 C ATOM 1333 CE2 PHE B 58 0.155 8.997 -4.614 1.00 1.15 C ATOM 1334 CZ PHE B 58 -0.789 8.050 -4.942 1.00 0.69 C ATOM 0 H PHE B 58 -1.624 14.626 -6.238 1.00 0.62 H new ATOM 0 HA PHE B 58 0.455 12.800 -5.414 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -1.985 12.637 -4.845 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.298 12.254 -6.527 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -3.132 10.068 -6.244 1.00 0.90 H new ATOM 0 HD2 PHE B 58 0.659 11.068 -4.608 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -2.713 7.703 -5.785 1.00 0.90 H new ATOM 0 HE2 PHE B 58 1.085 8.695 -4.155 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.603 7.005 -4.741 1.00 0.69 H new ATOM 1344 N SER B 59 1.349 12.978 -7.809 1.00 0.91 N ATOM 1345 CA SER B 59 2.012 12.691 -9.068 1.00 1.02 C ATOM 1346 C SER B 59 3.509 12.477 -8.846 1.00 1.10 C ATOM 1347 O SER B 59 4.145 11.696 -9.553 1.00 1.84 O ATOM 1348 CB SER B 59 1.778 13.836 -10.051 1.00 1.21 C ATOM 1349 OG SER B 59 0.391 14.052 -10.250 1.00 1.84 O ATOM 0 H SER B 59 1.908 13.546 -7.172 1.00 0.91 H new ATOM 0 HA SER B 59 1.593 11.776 -9.486 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.242 14.747 -9.673 1.00 1.21 H new ATOM 0 HB3 SER B 59 2.256 13.607 -11.004 1.00 1.21 H new ATOM 0 HG SER B 59 0.262 14.790 -10.881 1.00 1.84 H new ATOM 1355 N GLY B 60 4.065 13.158 -7.844 1.00 0.91 N ATOM 1356 CA GLY B 60 5.463 12.997 -7.526 1.00 0.88 C ATOM 1357 C GLY B 60 5.705 12.828 -6.039 1.00 0.67 C ATOM 1358 O GLY B 60 6.815 12.483 -5.630 1.00 0.74 O ATOM 0 H GLY B 60 3.564 13.819 -7.249 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.855 12.129 -8.055 1.00 0.88 H new ATOM 0 HA3 GLY B 60 6.016 13.865 -7.884 1.00 0.88 H new ATOM 1362 N ILE B 61 4.677 13.070 -5.221 1.00 0.51 N ATOM 1363 CA ILE B 61 4.828 12.943 -3.774 1.00 0.54 C ATOM 1364 C ILE B 61 5.145 11.509 -3.366 1.00 0.73 C ATOM 1365 O ILE B 61 6.096 11.278 -2.622 1.00 1.81 O ATOM 1366 CB ILE B 61 3.600 13.457 -2.975 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.281 12.910 -3.536 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.586 14.979 -2.943 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.051 13.470 -2.848 1.00 0.79 C ATOM 0 H ILE B 61 3.747 13.350 -5.532 1.00 0.51 H new ATOM 0 HA ILE B 61 5.671 13.585 -3.518 1.00 0.54 H new ATOM 0 HB ILE B 61 3.693 13.086 -1.954 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.227 13.137 -4.601 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.278 11.824 -3.441 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.719 15.323 -2.379 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.496 15.341 -2.466 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.533 15.364 -3.961 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.156 13.039 -3.296 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.082 13.220 -1.787 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.030 14.553 -2.965 1.00 0.79 H new ATOM 1381 N PHE B 62 4.376 10.541 -3.852 1.00 0.58 N ATOM 1382 CA PHE B 62 4.602 9.145 -3.500 1.00 0.50 C ATOM 1383 C PHE B 62 4.755 8.321 -4.769 1.00 0.51 C ATOM 1384 O PHE B 62 4.039 8.542 -5.745 1.00 0.76 O ATOM 1385 CB PHE B 62 3.414 8.595 -2.715 1.00 0.50 C ATOM 1386 CG PHE B 62 2.848 9.527 -1.683 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.657 10.141 -0.744 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.489 9.774 -1.649 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.118 10.980 0.205 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.947 10.613 -0.706 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.761 11.217 0.226 1.00 0.59 C ATOM 0 H PHE B 62 3.594 10.697 -4.488 1.00 0.58 H new ATOM 0 HA PHE B 62 5.504 9.085 -2.891 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.623 8.333 -3.418 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.720 7.673 -2.221 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.722 9.960 -0.755 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.844 9.301 -2.374 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.760 11.453 0.934 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.117 10.799 -0.696 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.337 11.874 0.971 1.00 0.59 H new ATOM 1401 N THR B 63 5.678 7.380 -4.767 1.00 0.35 N ATOM 1402 CA THR B 63 5.871 6.527 -5.927 1.00 0.38 C ATOM 1403 C THR B 63 5.057 5.235 -5.825 1.00 0.30 C ATOM 1404 O THR B 63 4.358 4.860 -6.762 1.00 0.38 O ATOM 1405 CB THR B 63 7.368 6.213 -6.175 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.517 5.259 -7.234 1.00 0.79 O ATOM 1407 CG2 THR B 63 8.060 5.697 -4.925 1.00 0.66 C ATOM 0 H THR B 63 6.302 7.186 -3.984 1.00 0.35 H new ATOM 0 HA THR B 63 5.504 7.087 -6.787 1.00 0.38 H new ATOM 0 HB THR B 63 7.843 7.152 -6.460 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.424 4.888 -7.215 1.00 0.79 H new ATOM 0 HG21 THR B 63 9.107 5.491 -5.148 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.998 6.449 -4.138 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.573 4.781 -4.591 1.00 0.66 H new ATOM 1415 N HIS B 64 5.144 4.562 -4.688 1.00 0.26 N ATOM 1416 CA HIS B 64 4.552 3.228 -4.538 1.00 0.25 C ATOM 1417 C HIS B 64 3.142 3.233 -3.961 1.00 0.25 C ATOM 1418 O HIS B 64 2.422 2.241 -4.080 1.00 0.54 O ATOM 1419 CB HIS B 64 5.448 2.342 -3.682 1.00 0.34 C ATOM 1420 CG HIS B 64 6.566 1.737 -4.460 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.026 0.461 -4.247 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.294 2.233 -5.483 1.00 0.71 C ATOM 1423 CE1 HIS B 64 7.988 0.199 -5.108 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.173 1.257 -5.872 1.00 0.68 N ATOM 0 H HIS B 64 5.616 4.911 -3.854 1.00 0.26 H new ATOM 0 HA HIS B 64 4.472 2.829 -5.549 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.858 2.931 -2.861 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.849 1.548 -3.236 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.678 -0.182 -3.535 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.201 3.218 -5.915 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.535 -0.730 -5.177 1.00 0.83 H new ATOM 1433 N LEU B 65 2.753 4.334 -3.342 1.00 0.32 N ATOM 1434 CA LEU B 65 1.516 4.378 -2.561 1.00 0.22 C ATOM 1435 C LEU B 65 0.277 4.060 -3.411 1.00 0.21 C ATOM 1436 O LEU B 65 -0.608 3.325 -2.965 1.00 0.24 O ATOM 1437 CB LEU B 65 1.385 5.738 -1.855 1.00 0.29 C ATOM 1438 CG LEU B 65 2.157 5.876 -0.523 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.483 5.086 0.580 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.598 5.416 -0.669 1.00 0.99 C ATOM 0 H LEU B 65 3.271 5.212 -3.361 1.00 0.32 H new ATOM 0 HA LEU B 65 1.572 3.597 -1.803 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.730 6.516 -2.536 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.329 5.928 -1.663 1.00 0.29 H new ATOM 0 HG LEU B 65 2.153 6.933 -0.257 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.047 5.200 1.506 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.468 5.456 0.725 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.449 4.032 0.304 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.113 5.526 0.285 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.617 4.369 -0.973 1.00 0.99 H new ATOM 0 HD23 LEU B 65 4.099 6.022 -1.424 1.00 0.99 H new ATOM 1452 N GLU B 66 0.224 4.571 -4.639 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.918 4.310 -5.515 1.00 0.40 C ATOM 1454 C GLU B 66 -1.009 2.829 -5.875 1.00 0.38 C ATOM 1455 O GLU B 66 -2.083 2.227 -5.813 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.839 5.141 -6.798 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.988 4.874 -7.758 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.895 5.683 -9.031 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -2.645 6.675 -9.165 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.072 5.331 -9.905 1.00 1.75 O ATOM 0 H GLU B 66 0.949 5.161 -5.047 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.813 4.598 -4.964 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.831 6.199 -6.537 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.104 4.929 -7.302 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.005 3.813 -8.009 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.931 5.099 -7.259 1.00 0.88 H new ATOM 1467 N ARG B 67 0.125 2.239 -6.233 1.00 0.42 N ATOM 1468 CA ARG B 67 0.151 0.852 -6.678 1.00 0.44 C ATOM 1469 C ARG B 67 -0.240 -0.091 -5.549 1.00 0.39 C ATOM 1470 O ARG B 67 -0.826 -1.142 -5.786 1.00 0.40 O ATOM 1471 CB ARG B 67 1.533 0.469 -7.207 1.00 0.54 C ATOM 1472 CG ARG B 67 1.615 -0.978 -7.644 1.00 0.74 C ATOM 1473 CD ARG B 67 3.029 -1.379 -8.004 1.00 0.86 C ATOM 1474 NE ARG B 67 3.187 -2.826 -7.955 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.328 -3.463 -8.200 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.396 -2.788 -8.615 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.395 -4.777 -8.043 1.00 2.07 N ATOM 0 H ARG B 67 1.036 2.698 -6.224 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.574 0.758 -7.486 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.785 1.113 -8.050 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.277 0.652 -6.432 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.248 -1.620 -6.844 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.963 -1.135 -8.503 1.00 0.74 H new ATOM 0 HD2 ARG B 67 3.271 -1.016 -9.003 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.731 -0.909 -7.315 1.00 0.86 H new ATOM 0 HE ARG B 67 2.369 -3.387 -7.717 1.00 1.08 H new ATOM 0 HH11 ARG B 67 5.342 -1.778 -8.746 1.00 1.71 H new ATOM 0 HH12 ARG B 67 6.270 -3.280 -8.802 1.00 1.71 H new ATOM 0 HH21 ARG B 67 3.573 -5.296 -7.735 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.269 -5.269 -8.230 1.00 2.07 H new ATOM 1491 N LEU B 68 0.067 0.292 -4.321 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.238 -0.552 -3.177 1.00 0.34 C ATOM 1493 C LEU B 68 -1.735 -0.599 -2.899 1.00 0.31 C ATOM 1494 O LEU B 68 -2.216 -1.492 -2.208 1.00 0.41 O ATOM 1495 CB LEU B 68 0.547 -0.103 -1.950 1.00 0.33 C ATOM 1496 CG LEU B 68 2.031 -0.472 -1.987 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.694 -0.150 -0.664 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.211 -1.944 -2.326 1.00 0.62 C ATOM 0 H LEU B 68 0.524 1.175 -4.091 1.00 0.36 H new ATOM 0 HA LEU B 68 0.073 -1.568 -3.419 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.455 0.978 -1.849 1.00 0.33 H new ATOM 0 HB3 LEU B 68 0.096 -0.545 -1.062 1.00 0.33 H new ATOM 0 HG LEU B 68 2.509 0.121 -2.766 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.749 -0.420 -0.711 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.601 0.917 -0.460 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.210 -0.715 0.133 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.274 -2.185 -2.347 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.715 -2.554 -1.571 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.773 -2.149 -3.303 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.477 0.336 -3.476 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.933 0.246 -3.447 1.00 0.24 C ATOM 1512 C LEU B 69 -4.369 -0.675 -4.577 1.00 0.25 C ATOM 1513 O LEU B 69 -5.294 -1.487 -4.449 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.606 1.623 -3.590 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.691 2.479 -2.313 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.126 2.874 -2.030 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.112 1.750 -1.116 1.00 0.30 C ATOM 0 H LEU B 69 -2.105 1.152 -3.962 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.243 -0.151 -2.480 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.065 2.191 -4.347 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.617 1.472 -3.968 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.100 3.379 -2.483 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.165 3.478 -1.124 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.517 3.451 -2.868 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.730 1.977 -1.894 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.188 2.383 -0.232 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.666 0.826 -0.949 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.064 1.515 -1.305 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.623 -0.606 -5.664 1.00 0.30 N ATOM 1530 CA ASP B 70 -3.931 -1.387 -6.841 1.00 0.35 C ATOM 1531 C ASP B 70 -3.730 -2.862 -6.537 1.00 0.38 C ATOM 1532 O ASP B 70 -4.475 -3.710 -7.026 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.057 -0.948 -8.016 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.267 -1.788 -9.258 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -2.680 -2.885 -9.350 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.017 -1.350 -10.153 1.00 1.56 O ATOM 0 H ASP B 70 -2.797 -0.014 -5.753 1.00 0.30 H new ATOM 0 HA ASP B 70 -4.972 -1.224 -7.120 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.270 0.095 -8.250 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.009 -1.001 -7.721 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.718 -3.173 -5.727 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.503 -4.531 -5.255 1.00 0.50 C ATOM 1543 C GLU B 71 -3.515 -4.901 -4.174 1.00 0.46 C ATOM 1544 O GLU B 71 -4.244 -5.877 -4.314 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.088 -4.681 -4.680 1.00 0.61 C ATOM 1546 CG GLU B 71 0.021 -4.141 -5.575 1.00 0.94 C ATOM 1547 CD GLU B 71 0.100 -4.834 -6.919 1.00 1.47 C ATOM 1548 OE1 GLU B 71 0.831 -4.339 -7.801 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -0.579 -5.867 -7.105 1.00 2.18 O ATOM 0 H GLU B 71 -2.035 -2.497 -5.386 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.628 -5.199 -6.107 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.044 -4.168 -3.719 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -0.899 -5.737 -4.486 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.137 -3.074 -5.733 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.977 -4.249 -5.062 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.572 -4.094 -3.112 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.360 -4.432 -1.926 1.00 0.45 C ATOM 1558 C GLU B 72 -5.849 -4.464 -2.248 1.00 0.42 C ATOM 1559 O GLU B 72 -6.540 -5.417 -1.918 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.088 -3.434 -0.797 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.826 -3.744 0.497 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.368 -5.032 1.150 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.822 -6.111 0.728 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -3.557 -4.975 2.095 1.00 1.33 O ATOM 0 H GLU B 72 -3.081 -3.202 -3.050 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.059 -5.427 -1.598 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.017 -3.412 -0.596 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.369 -2.436 -1.133 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.684 -2.919 1.195 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.895 -3.808 0.292 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.321 -3.438 -2.939 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.727 -3.349 -3.313 1.00 0.35 C ATOM 1573 C ILE B 73 -8.091 -4.528 -4.193 1.00 0.40 C ATOM 1574 O ILE B 73 -9.146 -5.141 -4.034 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.036 -2.027 -4.047 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.076 -0.881 -3.046 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.340 -2.104 -4.828 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.308 0.470 -3.676 1.00 0.27 C ATOM 0 H ILE B 73 -5.751 -2.653 -3.254 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.324 -3.369 -2.402 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.240 -1.847 -4.770 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.865 -1.073 -2.319 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.135 -0.858 -2.496 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.520 -1.153 -5.330 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.273 -2.899 -5.571 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.162 -2.315 -4.144 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.324 1.235 -2.900 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.506 0.685 -4.382 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.263 0.467 -4.202 1.00 0.27 H new ATOM 1590 N SER B 74 -7.185 -4.858 -5.096 1.00 0.41 N ATOM 1591 CA SER B 74 -7.386 -5.999 -5.987 1.00 0.49 C ATOM 1592 C SER B 74 -7.450 -7.317 -5.203 1.00 0.54 C ATOM 1593 O SER B 74 -8.377 -8.111 -5.374 1.00 0.60 O ATOM 1594 CB SER B 74 -6.266 -6.066 -7.027 1.00 0.52 C ATOM 1595 OG SER B 74 -6.445 -7.151 -7.919 1.00 1.34 O ATOM 0 H SER B 74 -6.306 -4.359 -5.236 1.00 0.41 H new ATOM 0 HA SER B 74 -8.340 -5.859 -6.495 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.236 -5.133 -7.590 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.305 -6.165 -6.522 1.00 0.52 H new ATOM 0 HG SER B 74 -5.713 -7.163 -8.571 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.500 -7.513 -4.300 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.370 -8.802 -3.625 1.00 0.63 C ATOM 1603 C ARG B 75 -7.438 -8.963 -2.552 1.00 0.65 C ATOM 1604 O ARG B 75 -7.947 -10.060 -2.349 1.00 0.72 O ATOM 1605 CB ARG B 75 -4.969 -9.028 -3.042 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.479 -7.951 -2.127 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.185 -8.376 -1.468 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.030 -7.715 -0.198 1.00 1.84 N ATOM 1609 CZ ARG B 75 -2.002 -7.879 0.628 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.053 -8.756 0.345 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -1.933 -7.171 1.747 1.00 3.67 N ATOM 0 H ARG B 75 -5.816 -6.810 -4.019 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.520 -9.569 -4.384 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.967 -9.973 -2.499 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.263 -9.132 -3.866 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.325 -7.029 -2.688 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.231 -7.739 -1.367 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.179 -9.457 -1.326 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.343 -8.135 -2.116 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.767 -7.071 0.090 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.109 -9.309 -0.510 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -0.266 -8.879 0.982 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -2.668 -6.501 1.973 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -1.144 -7.296 2.382 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.797 -7.862 -1.896 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.865 -7.863 -0.899 1.00 0.67 C ATOM 1627 C VAL B 76 -10.185 -8.328 -1.512 1.00 0.71 C ATOM 1628 O VAL B 76 -10.997 -8.970 -0.849 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.044 -6.456 -0.271 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.351 -6.344 0.492 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.887 -6.132 0.656 1.00 0.59 C ATOM 0 H VAL B 76 -7.360 -6.951 -2.039 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.577 -8.562 -0.113 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.063 -5.739 -1.091 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.440 -5.344 0.917 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.185 -6.525 -0.186 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.369 -7.082 1.294 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.032 -5.141 1.086 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.843 -6.872 1.455 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -6.954 -6.150 0.093 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.369 -8.045 -2.797 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.612 -8.382 -3.483 1.00 0.73 C ATOM 1643 C ARG B 77 -11.792 -9.894 -3.581 1.00 0.87 C ATOM 1644 O ARG B 77 -12.893 -10.409 -3.399 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.644 -7.756 -4.879 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.874 -6.254 -4.868 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.818 -5.667 -6.270 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.802 -6.276 -7.168 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.111 -5.797 -8.372 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.550 -4.675 -8.807 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -13.990 -6.433 -9.135 1.00 2.73 N ATOM 0 H ARG B 77 -9.674 -7.584 -3.384 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.437 -7.976 -2.897 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.701 -7.967 -5.384 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.432 -8.231 -5.463 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.844 -6.038 -4.421 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.121 -5.775 -4.242 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.993 -4.592 -6.219 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -10.818 -5.808 -6.681 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.280 -7.119 -6.852 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.881 -4.178 -8.219 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.788 -4.310 -9.729 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -14.430 -7.290 -8.800 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.226 -6.065 -10.057 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.709 -10.606 -3.862 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.767 -12.056 -3.975 1.00 1.08 C ATOM 1667 C LYS B 78 -10.595 -12.702 -2.609 1.00 1.12 C ATOM 1668 O LYS B 78 -11.257 -13.689 -2.285 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.689 -12.572 -4.929 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.877 -12.128 -6.369 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.331 -10.731 -6.590 1.00 2.01 C ATOM 1672 CE LYS B 78 -7.836 -10.745 -6.871 1.00 2.67 C ATOM 1673 NZ LYS B 78 -7.511 -11.453 -8.137 1.00 3.44 N ATOM 0 H LYS B 78 -9.784 -10.205 -4.015 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.745 -12.323 -4.376 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.715 -12.232 -4.579 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.678 -13.661 -4.894 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.373 -12.827 -7.036 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.937 -12.151 -6.624 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.853 -10.265 -7.426 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -9.529 -10.120 -5.709 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -7.468 -9.720 -6.925 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -7.317 -11.227 -6.043 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -6.607 -11.099 -8.511 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -7.434 -12.474 -7.954 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -8.264 -11.282 -8.833 1.00 3.44 H new