USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 19 HIS : no HD1:sc= -0.978 K(o=-1.1,f=-5.4!) USER MOD Set 1.2: A 96 THR OG1 : rot -106:sc= -0.0974 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -2.28 K(o=-2.8,f=-6.4!) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.529 K(o=-2.8,f=-2.3) USER MOD Set 3.1: A 31 SER OG : rot -130:sc= 0.944 USER MOD Set 3.2: A 155 LYS NZ :NH3+ -170:sc= 1.84 (180deg=0.323) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 0.369 (180deg=-0.179) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 30 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-1) USER MOD Single : A 48 TYR OH : rot 75:sc= -1.6 USER MOD Single : A 49 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.077) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 150:sc= -0.472 (180deg=-1.64!) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 102 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.013) USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= 1.24 (180deg=0.084) USER MOD Single : A 107 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.0058) USER MOD Single : A 115 ASN : amide:sc= -0.601 K(o=-0.6,f=-3.8!) USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0603) USER MOD Single : A 117 MET CE :methyl 143:sc= -0.539 (180deg=-3.05) USER MOD Single : A 123 ASN : amide:sc= -1.33! C(o=-1.3!,f=-2.3!) USER MOD Single : A 128 MET CE :methyl -154:sc= -4.57! (180deg=-5.67!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 132 MET CE :methyl 157:sc= -1.88! (180deg=-4.9!) USER MOD Single : A 134 TYR OH : rot 130:sc= -0.142 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 THR OG1 : rot -50:sc= -2.38 USER MOD Single : A 148 CYS SG : rot 120:sc= -0.605 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0.00433 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 160 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.12) USER MOD Single : A 164 MET CE :methyl -130:sc= -3.89! (180deg=-5.33!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.457 2.805 -5.627 1.00 0.67 N ATOM 156 CA VAL A 11 -13.035 2.713 -5.377 1.00 0.60 C ATOM 157 C VAL A 11 -12.783 1.841 -4.147 1.00 0.56 C ATOM 158 O VAL A 11 -12.898 2.292 -3.005 1.00 0.74 O ATOM 159 CB VAL A 11 -12.451 4.130 -5.188 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.951 4.103 -5.012 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.816 5.007 -6.371 1.00 0.98 C ATOM 0 HA VAL A 11 -12.538 2.249 -6.229 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.885 4.544 -4.278 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.582 5.120 -4.882 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.698 3.510 -4.133 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.489 3.659 -5.894 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -12.399 6.004 -6.227 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -12.411 4.572 -7.285 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.901 5.076 -6.452 1.00 0.98 H new ATOM 171 N THR A 12 -12.461 0.580 -4.400 1.00 0.46 N ATOM 172 CA THR A 12 -12.363 -0.418 -3.352 1.00 0.45 C ATOM 173 C THR A 12 -11.029 -0.327 -2.618 1.00 0.39 C ATOM 174 O THR A 12 -9.962 -0.326 -3.238 1.00 0.43 O ATOM 175 CB THR A 12 -12.530 -1.831 -3.940 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.693 -1.869 -4.777 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.661 -2.873 -2.839 1.00 0.62 C ATOM 0 H THR A 12 -12.262 0.224 -5.335 1.00 0.46 H new ATOM 0 HA THR A 12 -13.163 -0.223 -2.638 1.00 0.45 H new ATOM 0 HB THR A 12 -11.642 -2.063 -4.527 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.797 -2.768 -5.152 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.778 -3.861 -3.285 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.766 -2.859 -2.217 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.533 -2.647 -2.226 1.00 0.62 H new ATOM 185 N ILE A 13 -11.096 -0.249 -1.298 1.00 0.39 N ATOM 186 CA ILE A 13 -9.898 -0.189 -0.485 1.00 0.38 C ATOM 187 C ILE A 13 -9.517 -1.584 -0.002 1.00 0.37 C ATOM 188 O ILE A 13 -10.350 -2.316 0.528 1.00 0.51 O ATOM 189 CB ILE A 13 -10.072 0.753 0.729 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.451 2.161 0.262 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.793 0.797 1.556 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.587 3.162 1.392 1.00 1.03 C ATOM 0 H ILE A 13 -11.968 -0.226 -0.770 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.101 0.213 -1.110 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.876 0.365 1.354 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.696 2.517 -0.438 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.393 2.112 -0.283 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.932 1.464 2.406 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.558 -0.205 1.916 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.973 1.163 0.938 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.857 4.136 0.985 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.363 2.829 2.081 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.639 3.241 1.924 1.00 1.03 H new ATOM 204 N MET A 14 -8.267 -1.955 -0.221 1.00 0.31 N ATOM 205 CA MET A 14 -7.752 -3.241 0.247 1.00 0.35 C ATOM 206 C MET A 14 -6.502 -3.037 1.099 1.00 0.29 C ATOM 207 O MET A 14 -6.098 -1.903 1.343 1.00 0.46 O ATOM 208 CB MET A 14 -7.456 -4.179 -0.927 1.00 0.56 C ATOM 209 CG MET A 14 -8.711 -4.735 -1.588 1.00 0.75 C ATOM 210 SD MET A 14 -8.343 -5.960 -2.862 1.00 1.04 S ATOM 211 CE MET A 14 -9.985 -6.508 -3.320 1.00 0.77 C ATOM 0 H MET A 14 -7.584 -1.386 -0.721 1.00 0.31 H new ATOM 0 HA MET A 14 -8.521 -3.708 0.863 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.869 -3.642 -1.672 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.842 -5.008 -0.574 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.347 -5.188 -0.827 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.277 -3.915 -2.031 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.911 -7.267 -4.099 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.484 -6.931 -2.448 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.561 -5.661 -3.692 1.00 0.77 H new ATOM 221 N GLY A 15 -5.891 -4.124 1.565 1.00 0.34 N ATOM 222 CA GLY A 15 -4.763 -4.005 2.447 1.00 0.45 C ATOM 223 C GLY A 15 -5.067 -4.606 3.797 1.00 0.62 C ATOM 224 O GLY A 15 -6.130 -4.353 4.370 1.00 1.55 O ATOM 0 H GLY A 15 -6.164 -5.081 1.342 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.899 -4.505 2.008 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.498 -2.954 2.564 1.00 0.45 H new ATOM 228 N HIS A 16 -4.167 -5.449 4.267 1.00 0.51 N ATOM 229 CA HIS A 16 -4.264 -6.027 5.608 1.00 0.45 C ATOM 230 C HIS A 16 -4.487 -4.925 6.650 1.00 0.49 C ATOM 231 O HIS A 16 -3.869 -3.861 6.595 1.00 0.64 O ATOM 232 CB HIS A 16 -3.008 -6.847 5.935 1.00 0.43 C ATOM 233 CG HIS A 16 -3.048 -7.497 7.285 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.784 -8.631 7.511 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.450 -7.123 8.437 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.622 -8.920 8.792 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.823 -8.032 9.393 1.00 0.59 N ATOM 0 H HIS A 16 -3.350 -5.756 3.739 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.121 -6.700 5.635 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.879 -7.617 5.174 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.135 -6.196 5.881 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.802 -6.271 8.578 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -4.077 -9.765 9.288 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -2.545 -8.031 10.374 1.00 0.59 H new ATOM 245 N VAL A 17 -5.374 -5.207 7.600 1.00 0.53 N ATOM 246 CA VAL A 17 -5.904 -4.196 8.518 1.00 0.67 C ATOM 247 C VAL A 17 -4.838 -3.538 9.397 1.00 0.64 C ATOM 248 O VAL A 17 -5.002 -2.391 9.811 1.00 0.78 O ATOM 249 CB VAL A 17 -7.007 -4.786 9.425 1.00 0.87 C ATOM 250 CG1 VAL A 17 -8.197 -5.243 8.594 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.469 -5.940 10.262 1.00 1.62 C ATOM 0 H VAL A 17 -5.748 -6.143 7.758 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.320 -3.422 7.873 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.338 -4.000 10.104 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.963 -5.655 9.251 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.607 -4.394 8.047 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.875 -6.008 7.887 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -7.266 -6.336 10.891 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -6.101 -6.727 9.603 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -5.654 -5.584 10.892 1.00 1.62 H new ATOM 261 N ASP A 18 -3.753 -4.252 9.674 1.00 0.57 N ATOM 262 CA ASP A 18 -2.721 -3.753 10.585 1.00 0.61 C ATOM 263 C ASP A 18 -1.872 -2.661 9.944 1.00 0.56 C ATOM 264 O ASP A 18 -1.217 -1.886 10.644 1.00 0.69 O ATOM 265 CB ASP A 18 -1.812 -4.892 11.066 1.00 0.69 C ATOM 266 CG ASP A 18 -2.456 -5.760 12.130 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.483 -5.346 13.306 1.00 1.17 O ATOM 268 OD2 ASP A 18 -2.922 -6.873 11.800 1.00 1.78 O ATOM 0 H ASP A 18 -3.562 -5.175 9.284 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.242 -3.323 11.440 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -1.539 -5.515 10.214 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.888 -4.469 11.461 1.00 0.69 H new ATOM 273 N HIS A 19 -1.887 -2.585 8.621 1.00 0.46 N ATOM 274 CA HIS A 19 -1.051 -1.631 7.909 1.00 0.48 C ATOM 275 C HIS A 19 -1.556 -0.200 8.077 1.00 0.58 C ATOM 276 O HIS A 19 -0.764 0.742 8.151 1.00 0.65 O ATOM 277 CB HIS A 19 -0.959 -2.012 6.432 1.00 0.46 C ATOM 278 CG HIS A 19 -0.079 -3.203 6.189 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.390 -4.160 5.255 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.095 -3.533 6.783 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.594 -5.040 5.302 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.516 -4.705 6.213 1.00 0.48 N ATOM 0 H HIS A 19 -2.467 -3.171 8.021 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.052 -1.669 8.343 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.959 -2.223 6.054 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.576 -1.163 5.866 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.602 -2.977 7.558 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.648 -5.922 4.681 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.366 -5.222 6.439 1.00 0.48 H new ATOM 290 N GLY A 20 -2.869 -0.037 8.159 1.00 0.76 N ATOM 291 CA GLY A 20 -3.433 1.283 8.368 1.00 0.90 C ATOM 292 C GLY A 20 -4.664 1.533 7.526 1.00 0.81 C ATOM 293 O GLY A 20 -4.647 2.358 6.613 1.00 0.93 O ATOM 0 H GLY A 20 -3.552 -0.791 8.085 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.688 1.402 9.421 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.680 2.036 8.136 1.00 0.90 H new ATOM 297 N LYS A 21 -5.734 0.819 7.829 1.00 0.79 N ATOM 298 CA LYS A 21 -6.971 0.943 7.074 1.00 0.87 C ATOM 299 C LYS A 21 -7.861 2.030 7.655 1.00 0.89 C ATOM 300 O LYS A 21 -8.245 2.971 6.965 1.00 0.93 O ATOM 301 CB LYS A 21 -7.726 -0.375 7.076 1.00 1.09 C ATOM 302 CG LYS A 21 -6.932 -1.535 6.499 1.00 1.20 C ATOM 303 CD LYS A 21 -6.666 -1.352 5.014 1.00 1.39 C ATOM 304 CE LYS A 21 -7.953 -1.422 4.210 1.00 1.73 C ATOM 305 NZ LYS A 21 -8.659 -2.715 4.402 1.00 2.11 N ATOM 0 H LYS A 21 -5.772 0.146 8.594 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.708 1.213 6.051 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -8.014 -0.617 8.099 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -8.647 -0.257 6.505 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -5.984 -1.627 7.030 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -7.478 -2.465 6.659 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -6.181 -0.391 4.845 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -5.976 -2.122 4.668 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.609 -0.603 4.504 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -7.728 -1.285 3.152 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -9.308 -2.878 3.606 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -7.964 -3.487 4.446 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -9.201 -2.686 5.289 1.00 2.11 H new ATOM 319 N THR A 22 -8.174 1.893 8.937 1.00 0.92 N ATOM 320 CA THR A 22 -9.087 2.805 9.608 1.00 1.00 C ATOM 321 C THR A 22 -8.489 4.210 9.689 1.00 0.99 C ATOM 322 O THR A 22 -9.204 5.193 9.891 1.00 1.03 O ATOM 323 CB THR A 22 -9.442 2.288 11.024 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.468 3.096 11.614 1.00 1.80 O ATOM 325 CG2 THR A 22 -8.219 2.276 11.929 1.00 1.65 C ATOM 0 H THR A 22 -7.805 1.153 9.535 1.00 0.92 H new ATOM 0 HA THR A 22 -10.004 2.854 9.020 1.00 1.00 H new ATOM 0 HB THR A 22 -9.806 1.266 10.918 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.681 2.754 12.507 1.00 1.80 H new ATOM 0 HG21 THR A 22 -8.500 1.908 12.916 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.457 1.624 11.502 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.822 3.287 12.018 1.00 1.65 H new ATOM 333 N THR A 23 -7.178 4.298 9.509 1.00 0.99 N ATOM 334 CA THR A 23 -6.498 5.578 9.510 1.00 1.02 C ATOM 335 C THR A 23 -6.761 6.338 8.214 1.00 0.96 C ATOM 336 O THR A 23 -6.607 7.556 8.162 1.00 0.96 O ATOM 337 CB THR A 23 -4.984 5.396 9.710 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.507 4.341 8.864 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.662 5.072 11.162 1.00 1.41 C ATOM 0 H THR A 23 -6.567 3.495 9.361 1.00 0.99 H new ATOM 0 HA THR A 23 -6.894 6.159 10.342 1.00 1.02 H new ATOM 0 HB THR A 23 -4.488 6.330 9.447 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.542 4.229 8.993 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.585 4.948 11.277 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.004 5.886 11.801 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.166 4.149 11.449 1.00 1.41 H new ATOM 347 N LEU A 24 -7.175 5.618 7.169 1.00 0.96 N ATOM 348 CA LEU A 24 -7.484 6.260 5.899 1.00 0.96 C ATOM 349 C LEU A 24 -8.737 7.107 6.028 1.00 0.89 C ATOM 350 O LEU A 24 -8.728 8.291 5.699 1.00 0.91 O ATOM 351 CB LEU A 24 -7.670 5.227 4.786 1.00 1.06 C ATOM 352 CG LEU A 24 -6.434 4.397 4.453 1.00 0.88 C ATOM 353 CD1 LEU A 24 -6.719 3.486 3.271 1.00 1.78 C ATOM 354 CD2 LEU A 24 -5.246 5.302 4.158 1.00 1.57 C ATOM 0 H LEU A 24 -7.301 4.606 7.180 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.642 6.900 5.636 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -8.475 4.550 5.072 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.994 5.745 3.883 1.00 1.06 H new ATOM 0 HG LEU A 24 -6.185 3.780 5.316 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -5.830 2.898 3.042 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -7.543 2.817 3.518 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -6.989 4.089 2.404 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.374 4.692 3.923 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.480 5.944 3.309 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -5.033 5.919 5.031 1.00 1.57 H new ATOM 366 N LEU A 25 -9.803 6.494 6.535 1.00 0.88 N ATOM 367 CA LEU A 25 -11.070 7.191 6.721 1.00 0.91 C ATOM 368 C LEU A 25 -10.908 8.374 7.669 1.00 0.89 C ATOM 369 O LEU A 25 -11.560 9.399 7.509 1.00 0.92 O ATOM 370 CB LEU A 25 -12.142 6.241 7.276 1.00 1.02 C ATOM 371 CG LEU A 25 -13.017 5.537 6.234 1.00 1.21 C ATOM 372 CD1 LEU A 25 -12.205 4.584 5.371 1.00 1.76 C ATOM 373 CD2 LEU A 25 -14.153 4.793 6.918 1.00 1.96 C ATOM 0 H LEU A 25 -9.814 5.516 6.824 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.387 7.557 5.744 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.648 5.480 7.881 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -12.791 6.807 7.944 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.434 6.302 5.579 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -12.860 4.104 4.644 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -11.428 5.140 4.847 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -11.745 3.824 6.002 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.768 4.297 6.167 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.742 4.048 7.600 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -14.765 5.499 7.479 1.00 1.96 H new ATOM 385 N ASP A 26 -10.032 8.229 8.654 1.00 0.91 N ATOM 386 CA ASP A 26 -9.820 9.283 9.639 1.00 0.96 C ATOM 387 C ASP A 26 -9.145 10.509 9.025 1.00 0.92 C ATOM 388 O ASP A 26 -9.634 11.633 9.169 1.00 0.95 O ATOM 389 CB ASP A 26 -9.005 8.761 10.801 1.00 1.05 C ATOM 390 CG ASP A 26 -8.782 9.804 11.875 1.00 1.21 C ATOM 391 OD1 ASP A 26 -9.773 10.299 12.444 1.00 1.35 O ATOM 392 OD2 ASP A 26 -7.609 10.144 12.149 1.00 1.38 O ATOM 0 H ASP A 26 -9.459 7.397 8.793 1.00 0.91 H new ATOM 0 HA ASP A 26 -10.800 9.595 10.001 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -9.512 7.900 11.237 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.040 8.411 10.434 1.00 1.05 H new ATOM 397 N ALA A 27 -8.033 10.293 8.328 1.00 0.89 N ATOM 398 CA ALA A 27 -7.304 11.395 7.701 1.00 0.89 C ATOM 399 C ALA A 27 -8.087 11.973 6.539 1.00 0.85 C ATOM 400 O ALA A 27 -8.028 13.171 6.269 1.00 0.90 O ATOM 401 CB ALA A 27 -5.946 10.936 7.209 1.00 0.91 C ATOM 0 H ALA A 27 -7.618 9.373 8.183 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.168 12.167 8.459 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.424 11.774 6.747 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.361 10.564 8.050 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.075 10.140 6.476 1.00 0.91 H new ATOM 407 N ILE A 28 -8.822 11.118 5.855 1.00 0.82 N ATOM 408 CA ILE A 28 -9.572 11.516 4.681 1.00 0.83 C ATOM 409 C ILE A 28 -10.691 12.494 5.063 1.00 0.88 C ATOM 410 O ILE A 28 -11.122 13.309 4.251 1.00 0.94 O ATOM 411 CB ILE A 28 -10.129 10.263 3.969 1.00 0.86 C ATOM 412 CG1 ILE A 28 -10.074 10.418 2.452 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.550 9.957 4.415 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.861 9.098 1.741 1.00 0.95 C ATOM 0 H ILE A 28 -8.916 10.131 6.097 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.910 12.035 3.988 1.00 0.83 H new ATOM 0 HB ILE A 28 -9.494 9.424 4.252 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -11.002 10.870 2.102 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -9.268 11.103 2.189 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.911 9.070 3.895 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.563 9.778 5.490 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -12.195 10.803 4.180 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.830 9.266 0.664 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.919 8.657 2.067 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.681 8.420 1.979 1.00 0.95 H new ATOM 426 N ARG A 29 -11.121 12.432 6.323 1.00 0.93 N ATOM 427 CA ARG A 29 -12.137 13.348 6.837 1.00 1.04 C ATOM 428 C ARG A 29 -11.521 14.700 7.171 1.00 1.08 C ATOM 429 O ARG A 29 -12.211 15.716 7.237 1.00 1.17 O ATOM 430 CB ARG A 29 -12.800 12.773 8.079 1.00 1.16 C ATOM 431 CG ARG A 29 -13.624 11.539 7.797 1.00 1.33 C ATOM 432 CD ARG A 29 -14.334 11.053 9.048 1.00 1.58 C ATOM 433 NE ARG A 29 -15.181 12.094 9.628 1.00 2.13 N ATOM 434 CZ ARG A 29 -15.193 12.413 10.920 1.00 2.85 C ATOM 435 NH1 ARG A 29 -14.382 11.796 11.775 1.00 3.29 N ATOM 436 NH2 ARG A 29 -16.003 13.370 11.351 1.00 3.56 N ATOM 0 H ARG A 29 -10.781 11.756 7.007 1.00 0.93 H new ATOM 0 HA ARG A 29 -12.890 13.481 6.060 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.032 12.529 8.813 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.439 13.534 8.527 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.358 11.758 7.022 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -12.980 10.749 7.412 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -14.943 10.182 8.806 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -13.596 10.732 9.784 1.00 1.58 H new ATOM 0 HE ARG A 29 -15.802 12.608 9.003 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -13.745 11.073 11.442 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -14.397 12.046 12.764 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -16.612 13.857 10.694 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -16.017 13.619 12.340 1.00 3.56 H new ATOM 450 N HIS A 30 -10.212 14.696 7.381 1.00 1.05 N ATOM 451 CA HIS A 30 -9.458 15.921 7.650 1.00 1.13 C ATOM 452 C HIS A 30 -9.357 16.752 6.374 1.00 1.15 C ATOM 453 O HIS A 30 -8.903 17.895 6.381 1.00 1.32 O ATOM 454 CB HIS A 30 -8.074 15.577 8.181 1.00 1.23 C ATOM 455 CG HIS A 30 -7.294 16.728 8.722 1.00 1.70 C ATOM 456 ND1 HIS A 30 -6.598 17.635 7.945 1.00 2.44 N ATOM 457 CD2 HIS A 30 -7.090 17.092 9.990 1.00 2.01 C ATOM 458 CE1 HIS A 30 -6.000 18.510 8.732 1.00 2.88 C ATOM 459 NE2 HIS A 30 -6.285 18.200 9.982 1.00 2.60 N ATOM 0 H HIS A 30 -9.642 13.850 7.371 1.00 1.05 H new ATOM 0 HA HIS A 30 -9.978 16.507 8.408 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -8.180 14.830 8.967 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -7.499 15.115 7.378 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -7.488 16.601 10.865 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -5.384 19.336 8.409 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -5.959 18.703 10.807 1.00 2.60 H new ATOM 468 N SER A 31 -9.804 16.156 5.284 1.00 1.07 N ATOM 469 CA SER A 31 -9.782 16.787 3.979 1.00 1.19 C ATOM 470 C SER A 31 -11.196 17.174 3.558 1.00 1.32 C ATOM 471 O SER A 31 -11.453 17.433 2.380 1.00 1.76 O ATOM 472 CB SER A 31 -9.161 15.825 2.964 1.00 1.15 C ATOM 473 OG SER A 31 -7.809 16.146 2.719 1.00 1.50 O ATOM 0 H SER A 31 -10.195 15.214 5.280 1.00 1.07 H new ATOM 0 HA SER A 31 -9.181 17.695 4.023 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.233 14.803 3.336 1.00 1.15 H new ATOM 0 HB3 SER A 31 -9.722 15.865 2.030 1.00 1.15 H new ATOM 0 HG SER A 31 -7.654 16.192 1.752 1.00 1.50 H new ATOM 706 N TYR A 48 -18.405 5.156 3.083 1.00 1.05 N ATOM 707 CA TYR A 48 -18.647 6.566 2.840 1.00 1.04 C ATOM 708 C TYR A 48 -18.334 6.932 1.404 1.00 0.91 C ATOM 709 O TYR A 48 -17.501 6.305 0.749 1.00 0.86 O ATOM 710 CB TYR A 48 -17.810 7.417 3.804 1.00 1.16 C ATOM 711 CG TYR A 48 -16.326 7.335 3.562 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.707 6.113 3.384 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.551 8.479 3.498 1.00 1.31 C ATOM 714 CE1 TYR A 48 -14.364 6.024 3.149 1.00 1.77 C ATOM 715 CE2 TYR A 48 -14.197 8.404 3.263 1.00 1.73 C ATOM 716 CZ TYR A 48 -13.606 7.172 3.085 1.00 1.96 C ATOM 717 OH TYR A 48 -12.256 7.085 2.848 1.00 2.54 O ATOM 0 HA TYR A 48 -19.704 6.768 3.015 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -18.124 8.457 3.721 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -18.019 7.102 4.826 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -16.297 5.209 3.432 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -16.015 9.445 3.634 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.899 5.058 3.014 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -13.602 9.304 3.218 1.00 1.73 H new ATOM 0 HH TYR A 48 -12.103 6.879 1.902 1.00 2.54 H new ATOM 727 N GLN A 49 -19.026 7.935 0.915 1.00 1.01 N ATOM 728 CA GLN A 49 -18.751 8.473 -0.393 1.00 1.00 C ATOM 729 C GLN A 49 -18.080 9.815 -0.237 1.00 1.11 C ATOM 730 O GLN A 49 -18.245 10.488 0.786 1.00 1.34 O ATOM 731 CB GLN A 49 -20.028 8.622 -1.216 1.00 1.16 C ATOM 732 CG GLN A 49 -20.622 7.302 -1.673 1.00 1.18 C ATOM 733 CD GLN A 49 -21.760 7.496 -2.658 1.00 1.42 C ATOM 734 OE1 GLN A 49 -22.686 6.693 -2.729 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.694 8.568 -3.431 1.00 1.96 N ATOM 0 H GLN A 49 -19.789 8.397 1.410 1.00 1.01 H new ATOM 0 HA GLN A 49 -18.096 7.783 -0.924 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.770 9.158 -0.624 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.815 9.236 -2.091 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.843 6.696 -2.135 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.984 6.749 -0.806 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -20.909 9.213 -3.343 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.429 8.750 -4.115 1.00 1.96 H new ATOM 744 N VAL A 50 -17.313 10.180 -1.233 1.00 1.04 N ATOM 745 CA VAL A 50 -16.613 11.440 -1.246 1.00 1.18 C ATOM 746 C VAL A 50 -17.473 12.489 -1.961 1.00 1.28 C ATOM 747 O VAL A 50 -18.512 12.141 -2.529 1.00 1.38 O ATOM 748 CB VAL A 50 -15.208 11.241 -1.882 1.00 1.24 C ATOM 749 CG1 VAL A 50 -14.450 12.534 -2.093 1.00 1.93 C ATOM 750 CG2 VAL A 50 -14.396 10.337 -0.990 1.00 1.59 C ATOM 0 H VAL A 50 -17.156 9.608 -2.063 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.446 11.811 -0.235 1.00 1.18 H new ATOM 0 HB VAL A 50 -15.364 10.803 -2.868 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -13.479 12.318 -2.540 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -15.019 13.185 -2.757 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.305 13.032 -1.134 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -13.408 10.189 -1.425 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.295 10.793 -0.005 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.898 9.374 -0.894 1.00 1.59 H new ATOM 860 N ILE A 57 -16.068 9.893 -5.814 1.00 1.14 N ATOM 861 CA ILE A 57 -15.365 8.702 -5.349 1.00 0.88 C ATOM 862 C ILE A 57 -16.183 7.995 -4.269 1.00 0.85 C ATOM 863 O ILE A 57 -16.605 8.615 -3.296 1.00 0.97 O ATOM 864 CB ILE A 57 -13.984 9.045 -4.747 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.155 9.910 -5.705 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.236 7.763 -4.421 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.841 10.376 -5.112 1.00 0.86 C ATOM 0 HA ILE A 57 -15.227 8.059 -6.218 1.00 0.88 H new ATOM 0 HB ILE A 57 -14.143 9.618 -3.834 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.954 9.342 -6.613 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.742 10.781 -5.997 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.262 8.008 -3.997 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.810 7.180 -3.700 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.099 7.180 -5.332 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.307 10.982 -5.843 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -12.035 10.971 -4.220 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.235 9.510 -4.846 1.00 0.86 H new ATOM 879 N THR A 58 -16.413 6.709 -4.445 1.00 0.80 N ATOM 880 CA THR A 58 -17.042 5.899 -3.414 1.00 0.80 C ATOM 881 C THR A 58 -15.989 5.012 -2.763 1.00 0.73 C ATOM 882 O THR A 58 -15.211 4.379 -3.468 1.00 0.85 O ATOM 883 CB THR A 58 -18.162 5.020 -4.008 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.157 5.848 -4.616 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.813 4.153 -2.944 1.00 1.28 C ATOM 0 H THR A 58 -16.174 6.198 -5.295 1.00 0.80 H new ATOM 0 HA THR A 58 -17.485 6.562 -2.671 1.00 0.80 H new ATOM 0 HB THR A 58 -17.712 4.366 -4.755 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.865 5.285 -4.993 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.597 3.547 -3.398 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.063 3.500 -2.497 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.247 4.789 -2.172 1.00 1.28 H new ATOM 893 N PHE A 59 -15.939 4.971 -1.436 1.00 0.65 N ATOM 894 CA PHE A 59 -14.923 4.172 -0.772 1.00 0.64 C ATOM 895 C PHE A 59 -15.549 3.056 0.035 1.00 0.73 C ATOM 896 O PHE A 59 -16.200 3.298 1.054 1.00 0.83 O ATOM 897 CB PHE A 59 -14.042 5.030 0.132 1.00 0.64 C ATOM 898 CG PHE A 59 -13.012 5.840 -0.598 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.962 5.216 -1.250 1.00 0.75 C ATOM 900 CD2 PHE A 59 -13.079 7.220 -0.614 1.00 0.80 C ATOM 901 CE1 PHE A 59 -11.001 5.955 -1.906 1.00 0.79 C ATOM 902 CE2 PHE A 59 -12.120 7.965 -1.271 1.00 0.84 C ATOM 903 CZ PHE A 59 -11.078 7.331 -1.918 1.00 0.70 C ATOM 0 H PHE A 59 -16.575 5.470 -0.814 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.298 3.736 -1.552 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.678 5.704 0.705 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.537 4.382 0.848 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -11.895 4.138 -1.245 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.890 7.721 -0.107 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -10.187 5.456 -2.411 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -12.185 9.043 -1.279 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.326 7.911 -2.432 1.00 0.70 H new ATOM 1221 N ILE A 81 -10.699 -1.019 -9.312 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.826 -0.162 -8.522 1.00 0.55 C ATOM 1223 C ILE A 81 -9.499 -0.824 -7.192 1.00 0.47 C ATOM 1224 O ILE A 81 -10.374 -0.992 -6.342 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.456 1.227 -8.259 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.521 2.045 -9.548 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.659 1.979 -7.201 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.159 2.446 -10.065 1.00 0.73 C ATOM 0 HA ILE A 81 -8.914 -0.017 -9.100 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.472 1.076 -7.894 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.037 1.466 -10.313 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -11.115 2.942 -9.372 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -10.114 2.954 -7.027 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -9.658 1.408 -6.272 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.634 2.114 -7.545 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.274 3.024 -10.982 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.649 3.051 -9.316 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.570 1.552 -10.271 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.249 -1.223 -7.027 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.806 -1.835 -5.798 1.00 0.30 C ATOM 1242 C VAL A 82 -6.741 -0.990 -5.129 1.00 0.25 C ATOM 1243 O VAL A 82 -5.607 -0.937 -5.590 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.231 -3.227 -6.076 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.552 -3.779 -4.844 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.328 -4.159 -6.554 1.00 1.19 C ATOM 0 H VAL A 82 -7.523 -1.131 -7.738 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.668 -1.917 -5.136 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.481 -3.145 -6.863 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.150 -4.768 -5.062 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.740 -3.115 -4.548 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.275 -3.852 -4.032 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -7.908 -5.146 -6.749 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.099 -4.237 -5.787 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.767 -3.764 -7.470 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.101 -0.319 -4.052 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.118 0.442 -3.302 1.00 0.25 C ATOM 1258 C ILE A 83 -5.519 -0.437 -2.235 1.00 0.27 C ATOM 1259 O ILE A 83 -6.156 -0.713 -1.227 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.707 1.676 -2.595 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.977 2.148 -3.290 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.676 2.795 -2.536 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.544 3.425 -2.710 1.00 1.32 C ATOM 0 H ILE A 83 -8.050 -0.284 -3.680 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.380 0.783 -4.028 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.969 1.393 -1.576 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -7.767 2.301 -4.349 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.730 1.363 -3.225 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.107 3.661 -2.033 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -4.800 2.454 -1.984 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.382 3.072 -3.548 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.447 3.702 -3.254 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -8.786 3.271 -1.658 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.808 4.224 -2.800 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.311 -0.869 -2.455 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.657 -1.770 -1.528 1.00 0.27 C ATOM 1277 C LEU A 84 -2.873 -1.004 -0.469 1.00 0.27 C ATOM 1278 O LEU A 84 -1.843 -0.403 -0.763 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.713 -2.685 -2.283 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.063 -3.756 -1.443 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.004 -4.935 -1.311 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -0.737 -4.151 -2.056 1.00 1.33 C ATOM 0 H LEU A 84 -3.751 -0.616 -3.269 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.429 -2.356 -1.029 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.263 -3.163 -3.093 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -1.932 -2.079 -2.742 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.861 -3.378 -0.441 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.534 -5.709 -0.704 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -3.929 -4.611 -0.834 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.227 -5.335 -2.300 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.270 -4.925 -1.446 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -0.901 -4.533 -3.064 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.083 -3.280 -2.100 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.356 -1.031 0.761 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.655 -0.379 1.856 1.00 0.28 C ATOM 1296 C VAL A 85 -1.522 -1.255 2.376 1.00 0.27 C ATOM 1297 O VAL A 85 -1.707 -2.446 2.634 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.600 -0.031 3.023 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.854 0.725 4.114 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.781 0.782 2.521 1.00 1.20 C ATOM 0 H VAL A 85 -4.225 -1.494 1.027 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.246 0.548 1.454 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.976 -0.961 3.451 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.540 0.960 4.928 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -2.040 0.107 4.493 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.447 1.649 3.703 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.440 1.020 3.356 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.421 1.706 2.068 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.331 0.204 1.778 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.352 -0.651 2.508 1.00 0.25 N ATOM 1311 CA VAL A 86 0.812 -1.309 3.075 1.00 0.27 C ATOM 1312 C VAL A 86 1.423 -0.394 4.123 1.00 0.24 C ATOM 1313 O VAL A 86 0.859 0.655 4.429 1.00 0.26 O ATOM 1314 CB VAL A 86 1.874 -1.641 2.001 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.329 -2.644 1.003 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.345 -0.384 1.290 1.00 0.95 C ATOM 0 H VAL A 86 -0.183 0.314 2.223 1.00 0.25 H new ATOM 0 HA VAL A 86 0.490 -2.251 3.518 1.00 0.27 H new ATOM 0 HB VAL A 86 2.733 -2.085 2.505 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.091 -2.865 0.256 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.054 -3.562 1.523 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.449 -2.228 0.512 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.091 -0.648 0.541 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.497 0.098 0.804 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.785 0.301 2.015 1.00 0.95 H new ATOM 1326 N ALA A 87 2.558 -0.768 4.676 1.00 0.28 N ATOM 1327 CA ALA A 87 3.172 0.057 5.704 1.00 0.32 C ATOM 1328 C ALA A 87 4.688 -0.016 5.681 1.00 0.46 C ATOM 1329 O ALA A 87 5.254 -1.104 5.628 1.00 0.75 O ATOM 1330 CB ALA A 87 2.644 -0.330 7.074 1.00 0.42 C ATOM 0 H ALA A 87 3.068 -1.619 4.440 1.00 0.28 H new ATOM 0 HA ALA A 87 2.900 1.091 5.490 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.112 0.295 7.834 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.564 -0.187 7.101 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.877 -1.376 7.271 1.00 0.42 H new ATOM 1336 N ALA A 88 5.303 1.175 5.678 1.00 0.37 N ATOM 1337 CA ALA A 88 6.752 1.390 5.873 1.00 0.59 C ATOM 1338 C ALA A 88 7.630 0.167 5.595 1.00 0.53 C ATOM 1339 O ALA A 88 8.093 -0.039 4.474 1.00 1.14 O ATOM 1340 CB ALA A 88 7.004 1.877 7.291 1.00 1.18 C ATOM 0 H ALA A 88 4.793 2.047 5.535 1.00 0.37 H new ATOM 0 HA ALA A 88 7.041 2.136 5.133 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.072 2.036 7.437 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.472 2.814 7.454 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.648 1.130 8.001 1.00 1.18 H new ATOM 1346 N ASP A 89 7.854 -0.631 6.636 1.00 0.56 N ATOM 1347 CA ASP A 89 8.813 -1.734 6.584 1.00 0.93 C ATOM 1348 C ASP A 89 8.125 -3.087 6.504 1.00 0.85 C ATOM 1349 O ASP A 89 8.783 -4.125 6.411 1.00 1.24 O ATOM 1350 CB ASP A 89 9.703 -1.707 7.831 1.00 1.44 C ATOM 1351 CG ASP A 89 8.909 -1.871 9.117 1.00 1.68 C ATOM 1352 OD1 ASP A 89 8.669 -3.025 9.525 1.00 2.01 O ATOM 1353 OD2 ASP A 89 8.521 -0.852 9.723 1.00 1.90 O ATOM 0 H ASP A 89 7.380 -0.534 7.534 1.00 0.56 H new ATOM 0 HA ASP A 89 9.410 -1.600 5.682 1.00 0.93 H new ATOM 0 HB2 ASP A 89 10.444 -2.503 7.762 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.250 -0.764 7.863 1.00 1.44 H new ATOM 1358 N ASP A 90 6.805 -3.081 6.546 1.00 0.48 N ATOM 1359 CA ASP A 90 6.055 -4.327 6.595 1.00 0.46 C ATOM 1360 C ASP A 90 5.859 -4.890 5.202 1.00 0.45 C ATOM 1361 O ASP A 90 5.835 -6.106 5.005 1.00 0.69 O ATOM 1362 CB ASP A 90 4.696 -4.122 7.252 1.00 0.52 C ATOM 1363 CG ASP A 90 4.267 -5.341 8.030 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.687 -5.483 9.192 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.490 -6.155 7.486 1.00 1.09 O ATOM 0 H ASP A 90 6.233 -2.237 6.547 1.00 0.48 H new ATOM 0 HA ASP A 90 6.633 -5.034 7.191 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.739 -3.261 7.919 1.00 0.52 H new ATOM 0 HB3 ASP A 90 3.952 -3.897 6.488 1.00 0.52 H new ATOM 1370 N GLY A 91 5.734 -3.992 4.238 1.00 0.36 N ATOM 1371 CA GLY A 91 5.495 -4.396 2.873 1.00 0.36 C ATOM 1372 C GLY A 91 4.108 -4.971 2.692 1.00 0.35 C ATOM 1373 O GLY A 91 3.116 -4.304 2.977 1.00 0.52 O ATOM 0 H GLY A 91 5.795 -2.984 4.380 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.622 -3.538 2.213 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.237 -5.138 2.578 1.00 0.36 H new ATOM 1377 N VAL A 92 4.039 -6.213 2.250 1.00 0.38 N ATOM 1378 CA VAL A 92 2.789 -6.848 1.908 1.00 0.37 C ATOM 1379 C VAL A 92 2.610 -8.149 2.695 1.00 0.36 C ATOM 1380 O VAL A 92 3.325 -9.127 2.470 1.00 0.47 O ATOM 1381 CB VAL A 92 2.783 -7.129 0.395 1.00 0.47 C ATOM 1382 CG1 VAL A 92 1.610 -7.984 0.006 1.00 1.08 C ATOM 1383 CG2 VAL A 92 2.779 -5.830 -0.390 1.00 1.06 C ATOM 0 H VAL A 92 4.856 -6.809 2.119 1.00 0.38 H new ATOM 0 HA VAL A 92 1.960 -6.189 2.166 1.00 0.37 H new ATOM 0 HB VAL A 92 3.693 -7.677 0.153 1.00 0.47 H new ATOM 0 HG11 VAL A 92 1.633 -8.166 -1.069 1.00 1.08 H new ATOM 0 HG12 VAL A 92 1.661 -8.935 0.536 1.00 1.08 H new ATOM 0 HG13 VAL A 92 0.684 -7.472 0.268 1.00 1.08 H new ATOM 0 HG21 VAL A 92 2.775 -6.050 -1.458 1.00 1.06 H new ATOM 0 HG22 VAL A 92 1.890 -5.253 -0.135 1.00 1.06 H new ATOM 0 HG23 VAL A 92 3.669 -5.252 -0.142 1.00 1.06 H new ATOM 1393 N MET A 93 1.673 -8.138 3.636 1.00 0.29 N ATOM 1394 CA MET A 93 1.342 -9.327 4.417 1.00 0.31 C ATOM 1395 C MET A 93 0.479 -10.286 3.596 1.00 0.31 C ATOM 1396 O MET A 93 0.018 -9.917 2.520 1.00 0.31 O ATOM 1397 CB MET A 93 0.616 -8.922 5.697 1.00 0.36 C ATOM 1398 CG MET A 93 1.504 -8.188 6.683 1.00 0.67 C ATOM 1399 SD MET A 93 0.719 -7.967 8.286 1.00 1.32 S ATOM 1400 CE MET A 93 0.380 -9.675 8.692 1.00 0.65 C ATOM 0 H MET A 93 1.125 -7.313 3.879 1.00 0.29 H new ATOM 0 HA MET A 93 2.266 -9.841 4.682 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.232 -8.287 5.440 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.213 -9.814 6.176 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.434 -8.742 6.811 1.00 0.67 H new ATOM 0 HG3 MET A 93 1.767 -7.213 6.274 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.404 -9.803 9.774 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.605 -9.950 8.316 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.135 -10.315 8.234 1.00 0.65 H new ATOM 1410 N PRO A 94 0.266 -11.528 4.070 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.587 -12.511 3.387 1.00 0.42 C ATOM 1412 C PRO A 94 -1.911 -11.927 2.892 1.00 0.39 C ATOM 1413 O PRO A 94 -2.260 -12.082 1.722 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.829 -13.562 4.466 1.00 0.52 C ATOM 1415 CG PRO A 94 0.405 -13.528 5.296 1.00 0.61 C ATOM 1416 CD PRO A 94 0.873 -12.097 5.294 1.00 0.46 C ATOM 0 HA PRO A 94 -0.114 -12.896 2.484 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.713 -13.327 5.058 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.989 -14.549 4.031 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.201 -13.869 6.311 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.169 -14.188 4.885 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.543 -11.567 6.188 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.961 -12.032 5.268 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.640 -11.250 3.769 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.901 -10.635 3.385 1.00 0.43 C ATOM 1426 C GLN A 95 -3.684 -9.492 2.393 1.00 0.36 C ATOM 1427 O GLN A 95 -4.544 -9.215 1.558 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.665 -10.141 4.612 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.872 -11.220 5.660 1.00 0.64 C ATOM 1430 CD GLN A 95 -6.132 -11.013 6.485 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.746 -11.971 6.956 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.525 -9.763 6.669 1.00 1.47 N ATOM 0 H GLN A 95 -2.381 -11.114 4.746 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.501 -11.400 2.891 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -4.122 -9.308 5.059 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.636 -9.757 4.298 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.922 -12.192 5.168 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -4.009 -11.243 6.325 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.990 -8.995 6.263 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.363 -9.567 7.217 1.00 1.47 H new ATOM 1441 N THR A 96 -2.533 -8.830 2.481 1.00 0.33 N ATOM 1442 CA THR A 96 -2.169 -7.807 1.517 1.00 0.31 C ATOM 1443 C THR A 96 -1.878 -8.464 0.158 1.00 0.29 C ATOM 1444 O THR A 96 -2.076 -7.870 -0.899 1.00 0.34 O ATOM 1445 CB THR A 96 -0.946 -7.013 2.013 1.00 0.34 C ATOM 1446 OG1 THR A 96 -1.091 -6.731 3.413 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.797 -5.703 1.263 1.00 0.46 C ATOM 0 H THR A 96 -1.839 -8.987 3.212 1.00 0.33 H new ATOM 0 HA THR A 96 -2.998 -7.109 1.402 1.00 0.31 H new ATOM 0 HB THR A 96 -0.058 -7.620 1.836 1.00 0.34 H new ATOM 0 HG1 THR A 96 -1.313 -5.784 3.535 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.075 -5.167 1.637 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.670 -5.905 0.199 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.689 -5.094 1.413 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.438 -9.717 0.210 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.150 -10.508 -0.974 1.00 0.39 C ATOM 1457 C VAL A 97 -2.439 -11.015 -1.624 1.00 0.34 C ATOM 1458 O VAL A 97 -2.663 -10.812 -2.815 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.247 -11.708 -0.594 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.289 -12.797 -1.640 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.186 -11.261 -0.376 1.00 1.05 C ATOM 0 H VAL A 97 -1.271 -10.214 1.085 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.632 -9.873 -1.693 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.639 -12.117 0.337 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.358 -13.620 -1.335 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.311 -13.160 -1.747 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.056 -12.399 -2.594 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.799 -12.122 -0.110 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.570 -10.811 -1.291 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.220 -10.529 0.431 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.293 -11.658 -0.828 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.515 -12.283 -1.339 1.00 0.40 C ATOM 1473 C GLU A 98 -5.492 -11.257 -1.894 1.00 0.34 C ATOM 1474 O GLU A 98 -6.372 -11.588 -2.689 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.195 -13.104 -0.247 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.364 -14.280 0.227 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.159 -15.253 1.071 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.842 -16.130 0.502 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -5.113 -15.142 2.314 1.00 1.62 O ATOM 0 H GLU A 98 -3.161 -11.760 0.178 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.219 -12.941 -2.156 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.412 -12.456 0.602 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.151 -13.471 -0.621 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.956 -14.804 -0.638 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.517 -13.912 0.805 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.317 -10.009 -1.500 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.175 -8.940 -1.982 1.00 0.27 C ATOM 1488 C ALA A 99 -5.802 -8.646 -3.420 1.00 0.25 C ATOM 1489 O ALA A 99 -6.652 -8.403 -4.276 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.016 -7.700 -1.116 1.00 0.31 C ATOM 0 H ALA A 99 -4.591 -9.710 -0.849 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.220 -9.244 -1.928 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.665 -6.909 -1.491 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.289 -7.937 -0.088 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -4.980 -7.364 -1.148 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.512 -8.728 -3.665 1.00 0.25 N ATOM 1497 CA ILE A 100 -3.947 -8.545 -4.979 1.00 0.24 C ATOM 1498 C ILE A 100 -4.170 -9.781 -5.838 1.00 0.28 C ATOM 1499 O ILE A 100 -4.476 -9.669 -7.014 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.448 -8.244 -4.850 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.233 -6.738 -4.755 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.644 -8.859 -5.981 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.790 -6.333 -4.576 1.00 0.38 C ATOM 0 H ILE A 100 -3.818 -8.927 -2.944 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.443 -7.705 -5.466 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.082 -8.706 -3.933 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.622 -6.268 -5.658 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.815 -6.351 -3.919 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.589 -8.620 -5.849 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.775 -9.941 -5.974 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -1.990 -8.458 -6.934 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.722 -5.247 -4.517 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.400 -6.771 -3.657 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.205 -6.688 -5.424 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.003 -10.952 -5.244 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.305 -12.211 -5.916 1.00 0.38 C ATOM 1517 C ASN A 101 -5.730 -12.199 -6.447 1.00 0.37 C ATOM 1518 O ASN A 101 -6.011 -12.691 -7.541 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.115 -13.383 -4.950 1.00 0.46 C ATOM 1520 CG ASN A 101 -2.655 -13.705 -4.693 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -1.780 -12.846 -4.816 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.384 -14.944 -4.326 1.00 1.55 N ATOM 0 H ASN A 101 -3.657 -11.059 -4.290 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.620 -12.330 -6.756 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -4.603 -13.150 -4.003 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.611 -14.265 -5.355 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -1.421 -15.220 -4.133 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -3.138 -15.626 -4.236 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.619 -11.605 -5.666 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.011 -11.464 -6.053 1.00 0.38 C ATOM 1531 C HIS A 102 -8.164 -10.374 -7.113 1.00 0.38 C ATOM 1532 O HIS A 102 -9.034 -10.457 -7.983 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.860 -11.133 -4.821 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.330 -11.339 -5.027 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.059 -12.281 -4.339 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.202 -10.723 -5.854 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.315 -12.243 -4.739 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.430 -11.305 -5.660 1.00 0.77 N ATOM 0 H HIS A 102 -6.396 -11.210 -4.752 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.356 -12.406 -6.480 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.529 -11.751 -3.987 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.684 -10.095 -4.538 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -10.975 -9.921 -6.541 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.114 -12.872 -4.375 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.290 -11.054 -6.148 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.310 -9.361 -7.044 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.419 -8.211 -7.933 1.00 0.38 C ATOM 1549 C ALA A 103 -6.770 -8.474 -9.287 1.00 0.40 C ATOM 1550 O ALA A 103 -7.372 -8.242 -10.335 1.00 0.48 O ATOM 1551 CB ALA A 103 -6.772 -7.003 -7.288 1.00 0.43 C ATOM 0 H ALA A 103 -6.535 -9.312 -6.383 1.00 0.32 H new ATOM 0 HA ALA A 103 -8.479 -8.024 -8.102 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -6.856 -6.146 -7.956 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.274 -6.780 -6.347 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -5.720 -7.213 -7.097 1.00 0.43 H new ATOM 1557 N LYS A 104 -5.549 -8.984 -9.242 1.00 0.40 N ATOM 1558 CA LYS A 104 -4.703 -9.117 -10.413 1.00 0.51 C ATOM 1559 C LYS A 104 -5.372 -9.941 -11.511 1.00 0.50 C ATOM 1560 O LYS A 104 -5.208 -9.655 -12.698 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.372 -9.757 -9.990 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.470 -11.248 -9.697 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.265 -11.750 -8.922 1.00 1.57 C ATOM 1564 CE LYS A 104 -0.966 -11.484 -9.663 1.00 1.92 C ATOM 1565 NZ LYS A 104 0.189 -12.179 -9.037 1.00 2.56 N ATOM 0 H LYS A 104 -5.115 -9.320 -8.382 1.00 0.40 H new ATOM 0 HA LYS A 104 -4.525 -8.126 -10.830 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -2.637 -9.599 -10.780 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.000 -9.246 -9.102 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.378 -11.448 -9.127 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.554 -11.798 -10.634 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.233 -11.265 -7.946 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.368 -12.820 -8.743 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.067 -11.810 -10.698 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.775 -10.411 -9.684 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 1.043 -11.595 -9.141 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.004 -12.333 -8.027 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 0.337 -13.096 -9.505 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.155 -10.937 -11.119 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.710 -11.871 -12.085 1.00 0.61 C ATOM 1581 C ALA A 105 -8.111 -11.483 -12.525 1.00 0.66 C ATOM 1582 O ALA A 105 -8.801 -12.257 -13.190 1.00 0.76 O ATOM 1583 CB ALA A 105 -6.687 -13.289 -11.539 1.00 0.72 C ATOM 0 H ALA A 105 -6.417 -11.117 -10.150 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.076 -11.829 -12.971 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.107 -13.971 -12.279 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -5.659 -13.578 -11.321 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.279 -13.336 -10.625 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.530 -10.292 -12.153 1.00 0.62 N ATOM 1590 CA ALA A 106 -9.749 -9.721 -12.692 1.00 0.70 C ATOM 1591 C ALA A 106 -9.365 -8.658 -13.708 1.00 0.72 C ATOM 1592 O ALA A 106 -10.211 -7.940 -14.239 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.618 -9.142 -11.583 1.00 0.75 C ATOM 0 H ALA A 106 -8.045 -9.699 -11.479 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.340 -10.496 -13.180 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.526 -8.720 -12.015 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -10.883 -9.931 -10.879 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.068 -8.360 -11.060 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.053 -8.581 -13.960 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.469 -7.636 -14.906 1.00 0.73 C ATOM 1601 C ASN A 107 -7.675 -6.211 -14.423 1.00 0.67 C ATOM 1602 O ASN A 107 -7.952 -5.297 -15.202 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.053 -7.822 -16.298 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.129 -7.325 -17.400 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -6.296 -8.073 -17.913 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -7.270 -6.065 -17.781 1.00 2.06 N ATOM 0 H ASN A 107 -7.364 -9.181 -13.506 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.398 -7.832 -14.966 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.266 -8.879 -16.459 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.003 -7.292 -16.361 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -6.678 -5.687 -18.521 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -7.970 -5.473 -17.335 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.558 -6.028 -13.119 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.702 -4.707 -12.537 1.00 0.49 C ATOM 1615 C VAL A 108 -6.348 -4.145 -12.119 1.00 0.40 C ATOM 1616 O VAL A 108 -5.436 -4.897 -11.763 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.653 -4.706 -11.314 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.395 -6.022 -11.174 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -7.909 -4.369 -10.030 1.00 1.08 C ATOM 0 H VAL A 108 -7.365 -6.772 -12.448 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.138 -4.075 -13.310 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.393 -3.926 -11.491 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.051 -5.979 -10.304 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.991 -6.201 -12.069 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.677 -6.833 -11.048 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.607 -4.377 -9.192 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.127 -5.108 -9.858 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.460 -3.380 -10.119 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.203 -2.815 -12.190 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.042 -2.111 -11.658 1.00 0.35 C ATOM 1631 C PRO A 109 -5.001 -2.092 -10.139 1.00 0.30 C ATOM 1632 O PRO A 109 -6.033 -2.130 -9.459 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.209 -0.681 -12.149 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.257 -0.733 -13.195 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.139 -1.896 -12.843 1.00 0.48 C ATOM 0 HA PRO A 109 -4.125 -2.601 -11.984 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.503 -0.020 -11.334 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.273 -0.294 -12.552 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.828 0.195 -13.221 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.815 -0.864 -14.183 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.951 -1.603 -12.178 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.596 -2.342 -13.727 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.806 -1.949 -9.616 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.587 -2.031 -8.184 1.00 0.25 C ATOM 1645 C ILE A 110 -2.865 -0.783 -7.688 1.00 0.23 C ATOM 1646 O ILE A 110 -2.051 -0.198 -8.403 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.781 -3.300 -7.818 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.491 -4.551 -8.357 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.599 -3.404 -6.309 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -2.691 -5.826 -8.200 1.00 0.96 C ATOM 0 H ILE A 110 -2.962 -1.774 -10.162 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.559 -2.094 -7.694 1.00 0.25 H new ATOM 0 HB ILE A 110 -1.795 -3.229 -8.278 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.444 -4.666 -7.841 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -3.716 -4.402 -9.413 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -2.030 -4.303 -6.072 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -2.061 -2.528 -5.946 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.575 -3.456 -5.827 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -3.259 -6.664 -8.604 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -1.748 -5.733 -8.739 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -2.488 -6.001 -7.143 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.185 -0.361 -6.475 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.589 0.831 -5.898 1.00 0.25 C ATOM 1664 C ILE A 111 -1.873 0.462 -4.628 1.00 0.32 C ATOM 1665 O ILE A 111 -2.182 -0.548 -4.028 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.672 1.869 -5.565 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.538 2.136 -6.782 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.064 3.161 -5.048 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.981 2.278 -6.407 1.00 0.53 C ATOM 0 H ILE A 111 -3.858 -0.830 -5.869 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.893 1.256 -6.621 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.297 1.458 -4.772 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.199 3.045 -7.279 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.425 1.321 -7.497 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.859 3.872 -4.823 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.492 2.957 -4.143 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.405 3.582 -5.807 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.573 2.469 -7.302 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.326 1.359 -5.933 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.096 3.110 -5.712 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.906 1.253 -4.239 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.240 1.055 -2.994 1.00 0.20 C ATOM 1683 C VAL A 112 -0.393 2.268 -2.119 1.00 0.20 C ATOM 1684 O VAL A 112 -0.252 3.402 -2.577 1.00 0.23 O ATOM 1685 CB VAL A 112 1.241 0.809 -3.198 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.711 -0.241 -2.256 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.529 0.381 -4.615 1.00 0.22 C ATOM 0 H VAL A 112 -0.565 2.048 -4.780 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.694 0.184 -2.521 1.00 0.20 H new ATOM 0 HB VAL A 112 1.771 1.742 -3.005 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.777 -0.414 -2.407 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.538 0.086 -1.231 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.164 -1.166 -2.439 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.599 0.211 -4.733 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.989 -0.540 -4.834 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.207 1.162 -5.304 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.655 2.021 -0.866 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.719 3.064 0.113 1.00 0.21 C ATOM 1699 C ALA A 113 0.253 2.727 1.213 1.00 0.21 C ATOM 1700 O ALA A 113 -0.090 2.063 2.186 1.00 0.23 O ATOM 1701 CB ALA A 113 -2.130 3.206 0.656 1.00 0.25 C ATOM 0 H ALA A 113 -0.830 1.087 -0.496 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.453 4.020 -0.337 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -2.156 4.004 1.398 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.811 3.447 -0.160 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.437 2.269 1.120 1.00 0.25 H new ATOM 1707 N ILE A 114 1.478 3.169 1.026 1.00 0.21 N ATOM 1708 CA ILE A 114 2.527 2.963 1.998 1.00 0.24 C ATOM 1709 C ILE A 114 2.307 3.853 3.218 1.00 0.25 C ATOM 1710 O ILE A 114 2.664 5.029 3.207 1.00 0.30 O ATOM 1711 CB ILE A 114 3.901 3.267 1.375 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.049 2.560 0.022 1.00 0.32 C ATOM 1713 CG2 ILE A 114 4.996 2.831 2.320 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.337 2.888 -0.704 1.00 0.85 C ATOM 0 H ILE A 114 1.774 3.681 0.195 1.00 0.21 H new ATOM 0 HA ILE A 114 2.501 1.920 2.312 1.00 0.24 H new ATOM 0 HB ILE A 114 3.982 4.341 1.207 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.996 1.483 0.178 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.206 2.832 -0.613 1.00 0.32 H new ATOM 0 HG21 ILE A 114 5.968 3.048 1.876 1.00 0.36 H new ATOM 0 HG22 ILE A 114 4.899 3.370 3.262 1.00 0.36 H new ATOM 0 HG23 ILE A 114 4.912 1.760 2.505 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.368 2.350 -1.652 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.385 3.960 -0.894 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.187 2.590 -0.090 1.00 0.85 H new ATOM 1726 N ASN A 115 1.705 3.291 4.258 1.00 0.26 N ATOM 1727 CA ASN A 115 1.412 4.043 5.471 1.00 0.31 C ATOM 1728 C ASN A 115 2.610 3.987 6.412 1.00 0.37 C ATOM 1729 O ASN A 115 3.516 3.176 6.208 1.00 0.39 O ATOM 1730 CB ASN A 115 0.163 3.466 6.151 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.295 4.273 7.354 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.132 5.495 7.406 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.863 3.588 8.335 1.00 0.69 N ATOM 0 H ASN A 115 1.410 2.315 4.286 1.00 0.26 H new ATOM 0 HA ASN A 115 1.218 5.085 5.216 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.648 3.418 5.424 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.369 2.443 6.466 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.185 4.070 9.174 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.979 2.578 8.251 1.00 0.69 H new ATOM 1740 N LYS A 116 2.622 4.860 7.421 1.00 0.49 N ATOM 1741 CA LYS A 116 3.697 4.902 8.420 1.00 0.62 C ATOM 1742 C LYS A 116 5.028 5.286 7.773 1.00 0.57 C ATOM 1743 O LYS A 116 6.100 5.072 8.339 1.00 0.67 O ATOM 1744 CB LYS A 116 3.822 3.545 9.131 1.00 0.78 C ATOM 1745 CG LYS A 116 2.542 3.084 9.815 1.00 1.15 C ATOM 1746 CD LYS A 116 2.662 1.649 10.302 1.00 1.50 C ATOM 1747 CE LYS A 116 1.365 1.148 10.923 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.011 1.896 12.158 1.00 2.61 N ATOM 0 H LYS A 116 1.891 5.556 7.570 1.00 0.49 H new ATOM 0 HA LYS A 116 3.444 5.663 9.159 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.125 2.792 8.404 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.617 3.608 9.874 1.00 0.78 H new ATOM 0 HG2 LYS A 116 2.321 3.739 10.658 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.706 3.166 9.120 1.00 1.15 H new ATOM 0 HD2 LYS A 116 2.937 1.004 9.467 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.465 1.581 11.036 1.00 1.50 H new ATOM 0 HE2 LYS A 116 0.556 1.242 10.198 1.00 2.05 H new ATOM 0 HE3 LYS A 116 1.461 0.088 11.157 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.179 1.458 12.603 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 1.812 1.871 12.821 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 0.794 2.884 11.915 1.00 2.61 H new ATOM 1762 N MET A 117 4.941 5.884 6.593 1.00 0.58 N ATOM 1763 CA MET A 117 6.108 6.225 5.802 1.00 0.69 C ATOM 1764 C MET A 117 6.648 7.608 6.189 1.00 0.81 C ATOM 1765 O MET A 117 7.704 8.028 5.727 1.00 1.03 O ATOM 1766 CB MET A 117 5.723 6.145 4.319 1.00 0.85 C ATOM 1767 CG MET A 117 6.432 7.138 3.428 1.00 0.81 C ATOM 1768 SD MET A 117 8.121 6.639 3.008 1.00 1.37 S ATOM 1769 CE MET A 117 7.812 5.113 2.124 1.00 0.65 C ATOM 0 H MET A 117 4.056 6.146 6.159 1.00 0.58 H new ATOM 0 HA MET A 117 6.916 5.520 5.996 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.933 5.138 3.957 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.648 6.299 4.228 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.859 7.266 2.510 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.459 8.108 3.925 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.517 5.022 1.298 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.936 4.268 2.802 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.794 5.118 1.734 1.00 0.65 H new ATOM 1852 N ASN A 123 12.122 1.561 3.370 1.00 0.59 N ATOM 1853 CA ASN A 123 12.755 1.407 2.063 1.00 0.57 C ATOM 1854 C ASN A 123 11.700 1.110 1.011 1.00 0.46 C ATOM 1855 O ASN A 123 11.339 -0.048 0.800 1.00 0.52 O ATOM 1856 CB ASN A 123 13.793 0.286 2.042 1.00 0.85 C ATOM 1857 CG ASN A 123 14.591 0.281 0.749 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.988 -0.773 0.255 1.00 1.77 O ATOM 1859 ND2 ASN A 123 14.855 1.461 0.200 1.00 1.84 N ATOM 0 HA ASN A 123 13.266 2.345 1.848 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.471 0.403 2.887 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.293 -0.675 2.164 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.403 1.513 -0.659 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.510 2.316 0.637 1.00 1.84 H new ATOM 1866 N PRO A 124 11.167 2.167 0.366 1.00 0.41 N ATOM 1867 CA PRO A 124 10.263 2.053 -0.774 1.00 0.47 C ATOM 1868 C PRO A 124 10.664 0.938 -1.737 1.00 0.42 C ATOM 1869 O PRO A 124 9.902 0.008 -1.924 1.00 0.40 O ATOM 1870 CB PRO A 124 10.367 3.427 -1.461 1.00 0.66 C ATOM 1871 CG PRO A 124 11.310 4.237 -0.628 1.00 0.70 C ATOM 1872 CD PRO A 124 11.355 3.575 0.716 1.00 0.46 C ATOM 0 HA PRO A 124 9.251 1.797 -0.459 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.737 3.326 -2.481 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.390 3.907 -1.522 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.301 4.267 -1.080 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.967 5.268 -0.543 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.304 3.746 1.224 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.569 3.940 1.377 1.00 0.46 H new ATOM 1880 N ASP A 125 11.870 1.025 -2.304 1.00 0.45 N ATOM 1881 CA ASP A 125 12.358 0.049 -3.297 1.00 0.45 C ATOM 1882 C ASP A 125 12.064 -1.376 -2.868 1.00 0.38 C ATOM 1883 O ASP A 125 11.465 -2.133 -3.621 1.00 0.33 O ATOM 1884 CB ASP A 125 13.868 0.187 -3.490 1.00 0.56 C ATOM 1885 CG ASP A 125 14.315 1.613 -3.708 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.574 2.313 -2.705 1.00 2.00 O ATOM 1887 OD2 ASP A 125 14.437 2.037 -4.876 1.00 1.28 O ATOM 0 H ASP A 125 12.537 1.768 -2.093 1.00 0.45 H new ATOM 0 HA ASP A 125 11.837 0.260 -4.231 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.377 -0.216 -2.615 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.175 -0.417 -4.344 1.00 0.56 H new ATOM 1892 N ARG A 126 12.474 -1.732 -1.652 1.00 0.40 N ATOM 1893 CA ARG A 126 12.239 -3.073 -1.132 1.00 0.40 C ATOM 1894 C ARG A 126 10.758 -3.405 -1.197 1.00 0.34 C ATOM 1895 O ARG A 126 10.354 -4.351 -1.864 1.00 0.32 O ATOM 1896 CB ARG A 126 12.739 -3.184 0.313 1.00 0.47 C ATOM 1897 CG ARG A 126 12.556 -4.569 0.920 1.00 0.58 C ATOM 1898 CD ARG A 126 11.222 -4.686 1.645 1.00 1.25 C ATOM 1899 NE ARG A 126 10.894 -6.065 1.999 1.00 1.38 N ATOM 1900 CZ ARG A 126 10.710 -6.489 3.247 1.00 2.08 C ATOM 1901 NH1 ARG A 126 10.944 -5.673 4.270 1.00 2.99 N ATOM 1902 NH2 ARG A 126 10.319 -7.739 3.468 1.00 2.15 N ATOM 0 H ARG A 126 12.969 -1.111 -1.012 1.00 0.40 H new ATOM 0 HA ARG A 126 12.790 -3.785 -1.746 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.796 -2.921 0.343 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.211 -2.455 0.928 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.612 -5.323 0.134 1.00 0.58 H new ATOM 0 HG3 ARG A 126 13.369 -4.773 1.616 1.00 0.58 H new ATOM 0 HD2 ARG A 126 11.250 -4.079 2.550 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.432 -4.279 1.013 1.00 1.25 H new ATOM 0 HE ARG A 126 10.800 -6.744 1.244 1.00 1.38 H new ATOM 0 HH11 ARG A 126 11.265 -4.720 4.099 1.00 2.99 H new ATOM 0 HH12 ARG A 126 10.802 -6.000 5.226 1.00 2.99 H new ATOM 0 HH21 ARG A 126 10.161 -8.370 2.683 1.00 2.15 H new ATOM 0 HH22 ARG A 126 10.177 -8.068 4.423 1.00 2.15 H new ATOM 1916 N VAL A 127 9.966 -2.594 -0.511 1.00 0.34 N ATOM 1917 CA VAL A 127 8.516 -2.775 -0.458 1.00 0.34 C ATOM 1918 C VAL A 127 7.925 -2.844 -1.866 1.00 0.31 C ATOM 1919 O VAL A 127 7.108 -3.704 -2.173 1.00 0.33 O ATOM 1920 CB VAL A 127 7.841 -1.621 0.311 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.336 -1.830 0.401 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.446 -1.481 1.699 1.00 0.40 C ATOM 0 H VAL A 127 10.305 -1.794 0.024 1.00 0.34 H new ATOM 0 HA VAL A 127 8.326 -3.714 0.063 1.00 0.34 H new ATOM 0 HB VAL A 127 8.019 -0.698 -0.240 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.886 -1.002 0.948 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.914 -1.874 -0.603 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.129 -2.764 0.922 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.958 -0.662 2.228 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.302 -2.408 2.254 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.512 -1.272 1.612 1.00 0.40 H new ATOM 1932 N MET A 128 8.378 -1.946 -2.720 1.00 0.28 N ATOM 1933 CA MET A 128 7.876 -1.835 -4.081 1.00 0.26 C ATOM 1934 C MET A 128 8.274 -3.048 -4.916 1.00 0.25 C ATOM 1935 O MET A 128 7.535 -3.465 -5.812 1.00 0.25 O ATOM 1936 CB MET A 128 8.400 -0.548 -4.721 1.00 0.25 C ATOM 1937 CG MET A 128 8.005 0.705 -3.953 1.00 0.27 C ATOM 1938 SD MET A 128 8.812 2.198 -4.551 1.00 0.30 S ATOM 1939 CE MET A 128 8.139 2.297 -6.201 1.00 0.29 C ATOM 0 H MET A 128 9.107 -1.270 -2.491 1.00 0.28 H new ATOM 0 HA MET A 128 6.787 -1.800 -4.046 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.487 -0.599 -4.787 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.022 -0.476 -5.741 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.925 0.835 -4.017 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.248 0.567 -2.899 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.832 2.840 -6.844 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.990 1.291 -6.594 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.183 2.821 -6.173 1.00 0.29 H new ATOM 1949 N GLN A 129 9.432 -3.621 -4.612 1.00 0.25 N ATOM 1950 CA GLN A 129 9.904 -4.803 -5.319 1.00 0.26 C ATOM 1951 C GLN A 129 9.116 -6.029 -4.896 1.00 0.29 C ATOM 1952 O GLN A 129 8.975 -6.976 -5.666 1.00 0.31 O ATOM 1953 CB GLN A 129 11.401 -5.018 -5.096 1.00 0.29 C ATOM 1954 CG GLN A 129 12.271 -4.130 -5.972 1.00 0.31 C ATOM 1955 CD GLN A 129 13.744 -4.258 -5.647 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.278 -3.525 -4.819 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.407 -5.209 -6.286 1.00 1.28 N ATOM 0 H GLN A 129 10.060 -3.286 -3.881 1.00 0.25 H new ATOM 0 HA GLN A 129 9.745 -4.643 -6.385 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.637 -4.827 -4.049 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.645 -6.062 -5.293 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.110 -4.388 -7.019 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.964 -3.091 -5.849 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.926 -5.797 -6.967 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.399 -5.354 -6.097 1.00 1.28 H new ATOM 1966 N GLU A 130 8.589 -6.004 -3.678 1.00 0.33 N ATOM 1967 CA GLU A 130 7.685 -7.054 -3.230 1.00 0.38 C ATOM 1968 C GLU A 130 6.454 -7.038 -4.111 1.00 0.33 C ATOM 1969 O GLU A 130 5.950 -8.083 -4.516 1.00 0.36 O ATOM 1970 CB GLU A 130 7.258 -6.848 -1.776 1.00 0.48 C ATOM 1971 CG GLU A 130 8.359 -6.317 -0.888 1.00 0.71 C ATOM 1972 CD GLU A 130 9.489 -7.303 -0.671 1.00 1.18 C ATOM 1973 OE1 GLU A 130 10.332 -7.468 -1.574 1.00 2.02 O ATOM 1974 OE2 GLU A 130 9.556 -7.896 0.426 1.00 1.46 O ATOM 0 H GLU A 130 8.770 -5.275 -2.989 1.00 0.33 H new ATOM 0 HA GLU A 130 8.205 -8.010 -3.297 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.416 -6.156 -1.749 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.904 -7.797 -1.373 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.762 -5.405 -1.329 1.00 0.71 H new ATOM 0 HG3 GLU A 130 7.935 -6.043 0.078 1.00 0.71 H new ATOM 1981 N LEU A 131 5.996 -5.834 -4.447 1.00 0.29 N ATOM 1982 CA LEU A 131 4.782 -5.687 -5.234 1.00 0.29 C ATOM 1983 C LEU A 131 5.009 -6.193 -6.632 1.00 0.24 C ATOM 1984 O LEU A 131 4.189 -6.913 -7.196 1.00 0.25 O ATOM 1985 CB LEU A 131 4.316 -4.237 -5.283 1.00 0.32 C ATOM 1986 CG LEU A 131 3.442 -3.813 -4.112 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.297 -4.782 -3.949 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.254 -3.759 -2.844 1.00 1.06 C ATOM 0 H LEU A 131 6.445 -4.956 -4.188 1.00 0.29 H new ATOM 0 HA LEU A 131 4.002 -6.276 -4.752 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.192 -3.589 -5.319 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.763 -4.078 -6.209 1.00 0.32 H new ATOM 0 HG LEU A 131 3.044 -2.819 -4.314 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.675 -4.473 -3.109 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.698 -4.793 -4.859 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.690 -5.781 -3.761 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.615 -3.454 -2.015 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.671 -4.744 -2.637 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.064 -3.039 -2.961 1.00 1.06 H new ATOM 2000 N MET A 132 6.148 -5.845 -7.176 1.00 0.21 N ATOM 2001 CA MET A 132 6.489 -6.281 -8.503 1.00 0.22 C ATOM 2002 C MET A 132 6.912 -7.746 -8.481 1.00 0.26 C ATOM 2003 O MET A 132 7.116 -8.359 -9.526 1.00 0.32 O ATOM 2004 CB MET A 132 7.571 -5.381 -9.077 1.00 0.23 C ATOM 2005 CG MET A 132 8.972 -5.640 -8.550 1.00 0.26 C ATOM 2006 SD MET A 132 9.881 -6.764 -9.614 1.00 0.35 S ATOM 2007 CE MET A 132 9.353 -6.116 -11.194 1.00 0.32 C ATOM 0 H MET A 132 6.851 -5.263 -6.721 1.00 0.21 H new ATOM 0 HA MET A 132 5.617 -6.205 -9.152 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.580 -5.496 -10.161 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.307 -4.344 -8.869 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.512 -4.696 -8.471 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.912 -6.058 -7.545 1.00 0.26 H new ATOM 0 HE1 MET A 132 10.083 -6.381 -11.958 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.384 -6.540 -11.456 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.270 -5.031 -11.133 1.00 0.32 H new ATOM 2017 N GLU A 133 7.012 -8.313 -7.278 1.00 0.27 N ATOM 2018 CA GLU A 133 7.236 -9.738 -7.137 1.00 0.35 C ATOM 2019 C GLU A 133 5.906 -10.460 -7.267 1.00 0.34 C ATOM 2020 O GLU A 133 5.853 -11.626 -7.664 1.00 0.40 O ATOM 2021 CB GLU A 133 7.902 -10.078 -5.800 1.00 0.44 C ATOM 2022 CG GLU A 133 8.177 -11.563 -5.632 1.00 0.67 C ATOM 2023 CD GLU A 133 8.844 -11.897 -4.321 1.00 1.30 C ATOM 2024 OE1 GLU A 133 8.142 -11.959 -3.290 1.00 2.18 O ATOM 2025 OE2 GLU A 133 10.077 -12.082 -4.305 1.00 1.55 O ATOM 0 H GLU A 133 6.941 -7.804 -6.397 1.00 0.27 H new ATOM 0 HA GLU A 133 7.916 -10.064 -7.924 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.840 -9.529 -5.718 1.00 0.44 H new ATOM 0 HB3 GLU A 133 7.262 -9.739 -4.985 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.237 -12.111 -5.705 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.809 -11.904 -6.452 1.00 0.67 H new ATOM 2032 N TYR A 134 4.814 -9.764 -6.937 1.00 0.30 N ATOM 2033 CA TYR A 134 3.496 -10.282 -7.259 1.00 0.34 C ATOM 2034 C TYR A 134 3.164 -9.887 -8.697 1.00 0.36 C ATOM 2035 O TYR A 134 2.089 -10.180 -9.218 1.00 0.44 O ATOM 2036 CB TYR A 134 2.452 -9.771 -6.278 1.00 0.32 C ATOM 2037 CG TYR A 134 2.924 -9.778 -4.840 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.277 -10.962 -4.202 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.063 -8.592 -4.133 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.747 -10.961 -2.904 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.540 -8.583 -2.839 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.880 -9.769 -2.227 1.00 0.57 C ATOM 2043 OH TYR A 134 4.366 -9.762 -0.939 1.00 0.74 O ATOM 0 H TYR A 134 4.821 -8.863 -6.459 1.00 0.30 H new ATOM 0 HA TYR A 134 3.492 -11.369 -7.174 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.170 -8.755 -6.555 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.555 -10.385 -6.361 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.182 -11.899 -4.731 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.793 -7.659 -4.605 1.00 0.37 H new ATOM 0 HE1 TYR A 134 4.009 -11.891 -2.421 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.647 -7.649 -2.307 1.00 0.49 H new ATOM 0 HH TYR A 134 5.087 -9.102 -0.865 1.00 0.74 H new ATOM 2053 N ASN A 135 4.124 -9.175 -9.300 1.00 0.35 N ATOM 2054 CA ASN A 135 4.148 -8.857 -10.724 1.00 0.38 C ATOM 2055 C ASN A 135 3.101 -7.829 -11.050 1.00 0.42 C ATOM 2056 O ASN A 135 2.377 -7.922 -12.043 1.00 0.59 O ATOM 2057 CB ASN A 135 4.003 -10.107 -11.597 1.00 0.47 C ATOM 2058 CG ASN A 135 5.273 -10.930 -11.627 1.00 1.19 C ATOM 2059 OD1 ASN A 135 6.144 -10.719 -12.473 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.390 -11.879 -10.713 1.00 1.89 N ATOM 0 H ASN A 135 4.924 -8.796 -8.793 1.00 0.35 H new ATOM 0 HA ASN A 135 5.126 -8.433 -10.953 1.00 0.38 H new ATOM 0 HB2 ASN A 135 3.184 -10.719 -11.220 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.739 -9.811 -12.612 1.00 0.47 H new ATOM 0 HD21 ASN A 135 6.223 -12.467 -10.692 1.00 1.89 H new ATOM 0 HD22 ASN A 135 4.647 -12.023 -10.029 1.00 1.89 H new ATOM 2067 N LEU A 136 3.028 -6.856 -10.175 1.00 0.38 N ATOM 2068 CA LEU A 136 2.282 -5.661 -10.409 1.00 0.46 C ATOM 2069 C LEU A 136 3.263 -4.512 -10.292 1.00 0.39 C ATOM 2070 O LEU A 136 3.461 -3.924 -9.228 1.00 0.43 O ATOM 2071 CB LEU A 136 1.109 -5.544 -9.434 1.00 0.62 C ATOM 2072 CG LEU A 136 1.455 -5.635 -7.952 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.703 -4.582 -7.162 1.00 1.68 C ATOM 2074 CD2 LEU A 136 1.112 -7.018 -7.437 1.00 1.44 C ATOM 0 H LEU A 136 3.495 -6.880 -9.269 1.00 0.38 H new ATOM 0 HA LEU A 136 1.827 -5.659 -11.400 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.609 -4.592 -9.611 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.390 -6.329 -9.667 1.00 0.62 H new ATOM 0 HG LEU A 136 2.523 -5.457 -7.827 1.00 0.89 H new ATOM 0 HD11 LEU A 136 0.964 -4.664 -6.107 1.00 1.68 H new ATOM 0 HD12 LEU A 136 0.973 -3.591 -7.527 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.370 -4.733 -7.283 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.359 -7.083 -6.377 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.046 -7.203 -7.573 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.683 -7.764 -7.990 1.00 1.44 H new ATOM 2086 N VAL A 137 3.958 -4.286 -11.390 1.00 0.33 N ATOM 2087 CA VAL A 137 5.056 -3.342 -11.426 1.00 0.27 C ATOM 2088 C VAL A 137 4.567 -1.940 -11.144 1.00 0.26 C ATOM 2089 O VAL A 137 3.566 -1.493 -11.696 1.00 0.27 O ATOM 2090 CB VAL A 137 5.789 -3.338 -12.783 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.285 -3.518 -12.579 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.225 -4.397 -13.718 1.00 0.49 C ATOM 0 H VAL A 137 3.777 -4.751 -12.280 1.00 0.33 H new ATOM 0 HA VAL A 137 5.756 -3.663 -10.655 1.00 0.27 H new ATOM 0 HB VAL A 137 5.626 -2.370 -13.256 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.787 -3.513 -13.546 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.669 -2.703 -11.966 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.472 -4.468 -12.078 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.762 -4.369 -14.666 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.340 -5.381 -13.264 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.167 -4.201 -13.895 1.00 0.49 H new ATOM 2102 N PRO A 138 5.252 -1.247 -10.240 1.00 0.25 N ATOM 2103 CA PRO A 138 5.001 0.160 -9.967 1.00 0.27 C ATOM 2104 C PRO A 138 4.878 0.992 -11.227 1.00 0.30 C ATOM 2105 O PRO A 138 5.491 0.707 -12.256 1.00 0.29 O ATOM 2106 CB PRO A 138 6.239 0.585 -9.214 1.00 0.30 C ATOM 2107 CG PRO A 138 6.663 -0.628 -8.487 1.00 0.29 C ATOM 2108 CD PRO A 138 6.301 -1.798 -9.367 1.00 0.27 C ATOM 0 HA PRO A 138 4.063 0.300 -9.431 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.017 0.933 -9.893 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.025 1.405 -8.528 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.735 -0.608 -8.289 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.162 -0.698 -7.522 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.158 -2.152 -9.940 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.937 -2.644 -8.784 1.00 0.27 H new ATOM 2116 N GLU A 139 4.118 2.048 -11.101 1.00 0.35 N ATOM 2117 CA GLU A 139 3.853 2.951 -12.205 1.00 0.40 C ATOM 2118 C GLU A 139 5.075 3.827 -12.409 1.00 0.42 C ATOM 2119 O GLU A 139 5.328 4.341 -13.495 1.00 0.50 O ATOM 2120 CB GLU A 139 2.617 3.796 -11.907 1.00 0.47 C ATOM 2121 CG GLU A 139 1.603 3.807 -13.035 1.00 0.80 C ATOM 2122 CD GLU A 139 2.143 4.421 -14.309 1.00 1.49 C ATOM 2123 OE1 GLU A 139 2.752 3.688 -15.118 1.00 2.01 O ATOM 2124 OE2 GLU A 139 1.960 5.637 -14.514 1.00 1.98 O ATOM 0 H GLU A 139 3.661 2.313 -10.229 1.00 0.35 H new ATOM 0 HA GLU A 139 3.655 2.387 -13.117 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.139 3.419 -11.003 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.928 4.820 -11.699 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.282 2.785 -13.238 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.720 4.361 -12.717 1.00 0.80 H new ATOM 2131 N GLU A 140 5.816 3.988 -11.324 1.00 0.42 N ATOM 2132 CA GLU A 140 7.156 4.561 -11.360 1.00 0.44 C ATOM 2133 C GLU A 140 7.997 3.818 -12.388 1.00 0.43 C ATOM 2134 O GLU A 140 8.739 4.417 -13.166 1.00 0.51 O ATOM 2135 CB GLU A 140 7.854 4.409 -9.998 1.00 0.45 C ATOM 2136 CG GLU A 140 6.997 3.799 -8.908 1.00 0.75 C ATOM 2137 CD GLU A 140 5.872 4.695 -8.440 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.161 5.687 -7.738 1.00 1.14 O ATOM 2139 OE2 GLU A 140 4.707 4.419 -8.788 1.00 1.01 O ATOM 0 H GLU A 140 5.505 3.724 -10.389 1.00 0.42 H new ATOM 0 HA GLU A 140 7.062 5.617 -11.613 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.744 3.793 -10.129 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.192 5.391 -9.668 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.575 2.862 -9.273 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.631 3.553 -8.056 1.00 0.75 H new ATOM 2146 N TRP A 141 7.860 2.492 -12.372 1.00 0.35 N ATOM 2147 CA TRP A 141 8.730 1.622 -13.147 1.00 0.35 C ATOM 2148 C TRP A 141 8.109 1.281 -14.496 1.00 0.38 C ATOM 2149 O TRP A 141 8.822 0.998 -15.455 1.00 0.45 O ATOM 2150 CB TRP A 141 9.080 0.367 -12.356 1.00 0.32 C ATOM 2151 CG TRP A 141 9.484 0.647 -10.927 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.732 1.867 -10.358 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.679 -0.314 -9.889 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.009 1.732 -9.030 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.004 0.394 -8.711 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.598 -1.700 -9.843 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.236 -0.255 -7.496 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.828 -2.347 -8.638 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.144 -1.626 -7.476 1.00 0.23 C ATOM 0 H TRP A 141 7.151 2.000 -11.828 1.00 0.35 H new ATOM 0 HA TRP A 141 9.658 2.158 -13.346 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.222 -0.305 -12.357 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.894 -0.155 -12.859 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.711 2.808 -10.888 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.190 2.497 -8.380 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.360 -2.265 -10.732 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.479 0.302 -6.603 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.763 -3.424 -8.593 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.318 -2.157 -6.552 1.00 0.23 H new ATOM 2170 N GLY A 142 6.782 1.320 -14.580 1.00 0.35 N ATOM 2171 CA GLY A 142 6.134 1.177 -15.869 1.00 0.39 C ATOM 2172 C GLY A 142 5.235 -0.035 -15.935 1.00 0.38 C ATOM 2173 O GLY A 142 4.997 -0.586 -17.012 1.00 0.45 O ATOM 0 H GLY A 142 6.152 1.447 -13.788 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.548 2.072 -16.078 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.893 1.104 -16.647 1.00 0.39 H new ATOM 2177 N GLY A 143 4.756 -0.461 -14.781 1.00 0.33 N ATOM 2178 CA GLY A 143 3.833 -1.575 -14.735 1.00 0.34 C ATOM 2179 C GLY A 143 2.388 -1.131 -14.717 1.00 0.37 C ATOM 2180 O GLY A 143 1.885 -0.591 -15.701 1.00 0.50 O ATOM 0 H GLY A 143 4.988 -0.057 -13.874 1.00 0.33 H new ATOM 0 HA2 GLY A 143 4.001 -2.218 -15.599 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.036 -2.174 -13.848 1.00 0.34 H new ATOM 2184 N ASP A 144 1.722 -1.353 -13.596 1.00 0.33 N ATOM 2185 CA ASP A 144 0.314 -1.012 -13.472 1.00 0.40 C ATOM 2186 C ASP A 144 -0.059 -0.674 -12.026 1.00 0.30 C ATOM 2187 O ASP A 144 -1.232 -0.737 -11.647 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.567 -2.167 -13.971 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.510 -3.389 -13.066 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.551 -4.047 -13.020 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.524 -3.694 -12.401 1.00 1.30 O ATOM 0 H ASP A 144 2.133 -1.767 -12.759 1.00 0.33 H new ATOM 0 HA ASP A 144 0.140 -0.130 -14.088 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.599 -1.824 -14.045 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.252 -2.450 -14.975 1.00 0.57 H new ATOM 2196 N THR A 145 0.923 -0.295 -11.216 1.00 0.25 N ATOM 2197 CA THR A 145 0.664 -0.118 -9.791 1.00 0.24 C ATOM 2198 C THR A 145 1.076 1.262 -9.283 1.00 0.24 C ATOM 2199 O THR A 145 2.246 1.630 -9.327 1.00 0.31 O ATOM 2200 CB THR A 145 1.379 -1.209 -8.985 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.001 -2.486 -9.498 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.026 -1.126 -7.508 1.00 0.28 C ATOM 0 H THR A 145 1.882 -0.108 -11.510 1.00 0.25 H new ATOM 0 HA THR A 145 -0.414 -0.202 -9.651 1.00 0.24 H new ATOM 0 HB THR A 145 2.455 -1.065 -9.081 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.025 -2.536 -9.564 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.549 -1.913 -6.964 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.325 -0.154 -7.116 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.049 -1.252 -7.383 1.00 0.28 H new ATOM 2210 N ILE A 146 0.103 2.014 -8.779 1.00 0.26 N ATOM 2211 CA ILE A 146 0.353 3.373 -8.315 1.00 0.27 C ATOM 2212 C ILE A 146 0.845 3.364 -6.868 1.00 0.24 C ATOM 2213 O ILE A 146 0.081 3.078 -5.949 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.913 4.257 -8.414 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.394 4.395 -9.867 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.642 5.630 -7.823 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.153 3.191 -10.390 1.00 1.23 C ATOM 0 H ILE A 146 -0.864 1.706 -8.682 1.00 0.26 H new ATOM 0 HA ILE A 146 1.121 3.795 -8.964 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.704 3.769 -7.844 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -2.033 5.274 -9.944 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.530 4.572 -10.508 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.540 6.242 -7.899 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.361 5.526 -6.775 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.170 6.108 -8.371 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.456 3.372 -11.421 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.512 2.311 -10.349 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.038 3.024 -9.776 1.00 1.23 H new ATOM 2229 N PHE A 147 2.119 3.672 -6.673 1.00 0.23 N ATOM 2230 CA PHE A 147 2.705 3.692 -5.338 1.00 0.22 C ATOM 2231 C PHE A 147 2.553 5.057 -4.683 1.00 0.24 C ATOM 2232 O PHE A 147 3.044 6.066 -5.190 1.00 0.38 O ATOM 2233 CB PHE A 147 4.183 3.313 -5.394 1.00 0.23 C ATOM 2234 CG PHE A 147 4.390 1.837 -5.315 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.217 1.040 -6.431 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.727 1.242 -4.113 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.382 -0.327 -6.350 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.888 -0.125 -4.026 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.717 -0.908 -5.146 1.00 0.19 C ATOM 0 H PHE A 147 2.768 3.912 -7.422 1.00 0.23 H new ATOM 0 HA PHE A 147 2.167 2.959 -4.736 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.618 3.690 -6.319 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.712 3.797 -4.573 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.950 1.492 -7.375 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.865 1.854 -3.234 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.249 -0.941 -7.228 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.148 -0.580 -3.082 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.846 -1.978 -5.081 1.00 0.19 H new ATOM 2249 N CYS A 148 1.863 5.078 -3.559 1.00 0.25 N ATOM 2250 CA CYS A 148 1.734 6.283 -2.767 1.00 0.28 C ATOM 2251 C CYS A 148 2.420 6.086 -1.426 1.00 0.26 C ATOM 2252 O CYS A 148 2.088 5.159 -0.690 1.00 0.32 O ATOM 2253 CB CYS A 148 0.262 6.611 -2.542 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.706 6.719 -4.067 1.00 1.10 S ATOM 0 H CYS A 148 1.380 4.267 -3.173 1.00 0.25 H new ATOM 0 HA CYS A 148 2.204 7.109 -3.301 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.176 5.848 -1.898 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.188 7.559 -2.009 1.00 0.30 H new ATOM 0 HG CYS A 148 -1.659 5.835 -4.039 1.00 1.10 H new ATOM 2260 N LYS A 149 3.388 6.929 -1.118 1.00 0.37 N ATOM 2261 CA LYS A 149 4.019 6.896 0.189 1.00 0.38 C ATOM 2262 C LYS A 149 3.379 7.950 1.084 1.00 0.39 C ATOM 2263 O LYS A 149 3.616 9.147 0.930 1.00 0.47 O ATOM 2264 CB LYS A 149 5.537 7.097 0.074 1.00 0.47 C ATOM 2265 CG LYS A 149 5.964 8.373 -0.642 1.00 0.64 C ATOM 2266 CD LYS A 149 7.470 8.584 -0.552 1.00 0.94 C ATOM 2267 CE LYS A 149 7.890 9.918 -1.157 1.00 1.57 C ATOM 2268 NZ LYS A 149 9.340 10.181 -0.966 1.00 2.44 N ATOM 0 H LYS A 149 3.753 7.641 -1.750 1.00 0.37 H new ATOM 0 HA LYS A 149 3.864 5.915 0.639 1.00 0.38 H new ATOM 0 HB2 LYS A 149 5.965 7.100 1.076 1.00 0.47 H new ATOM 0 HB3 LYS A 149 5.963 6.243 -0.452 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.664 8.322 -1.689 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.449 9.228 -0.204 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.781 8.544 0.492 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.983 7.773 -1.069 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.657 9.923 -2.222 1.00 1.57 H new ATOM 0 HE3 LYS A 149 7.312 10.722 -0.701 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 9.586 11.098 -1.391 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 9.558 10.202 0.051 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 9.893 9.428 -1.423 1.00 2.44 H new ATOM 2282 N LEU A 150 2.538 7.505 2.002 1.00 0.40 N ATOM 2283 CA LEU A 150 1.726 8.427 2.781 1.00 0.45 C ATOM 2284 C LEU A 150 1.886 8.241 4.278 1.00 0.45 C ATOM 2285 O LEU A 150 2.744 7.504 4.762 1.00 0.49 O ATOM 2286 CB LEU A 150 0.247 8.252 2.451 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.318 6.871 2.749 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.765 6.974 3.204 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.200 5.999 1.519 1.00 1.27 C ATOM 0 H LEU A 150 2.399 6.520 2.226 1.00 0.40 H new ATOM 0 HA LEU A 150 2.076 9.424 2.512 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.325 8.991 3.012 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.098 8.469 1.393 1.00 0.60 H new ATOM 0 HG LEU A 150 0.254 6.417 3.558 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -2.153 5.977 3.413 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.820 7.581 4.108 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -2.361 7.438 2.418 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.605 5.010 1.734 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.759 6.450 0.699 1.00 1.27 H new ATOM 0 HD23 LEU A 150 0.849 5.908 1.237 1.00 1.27 H new ATOM 2301 N SER A 151 1.017 8.937 4.989 1.00 0.49 N ATOM 2302 CA SER A 151 0.900 8.850 6.421 1.00 0.55 C ATOM 2303 C SER A 151 -0.354 9.592 6.841 1.00 0.57 C ATOM 2304 O SER A 151 -0.553 10.741 6.452 1.00 0.60 O ATOM 2305 CB SER A 151 2.105 9.459 7.104 1.00 0.66 C ATOM 2306 OG SER A 151 2.042 9.274 8.509 1.00 1.79 O ATOM 0 H SER A 151 0.359 9.594 4.569 1.00 0.49 H new ATOM 0 HA SER A 151 0.844 7.802 6.714 1.00 0.55 H new ATOM 0 HB2 SER A 151 3.016 9.005 6.715 1.00 0.66 H new ATOM 0 HB3 SER A 151 2.157 10.524 6.876 1.00 0.66 H new ATOM 0 HG SER A 151 2.832 9.675 8.927 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.213 8.929 7.594 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.416 9.567 8.127 1.00 0.70 C ATOM 2314 C ALA A 152 -2.060 10.639 9.154 1.00 0.74 C ATOM 2315 O ALA A 152 -2.904 11.445 9.551 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.318 8.525 8.756 1.00 0.86 C ATOM 0 H ALA A 152 -1.105 7.949 7.854 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.941 10.048 7.302 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.212 9.008 9.151 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.605 7.790 8.004 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.787 8.026 9.567 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.802 10.640 9.576 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.315 11.566 10.576 1.00 0.93 C ATOM 2324 C LYS A 153 0.088 12.874 9.925 1.00 0.86 C ATOM 2325 O LYS A 153 -0.420 13.944 10.265 1.00 0.96 O ATOM 2326 CB LYS A 153 0.884 10.963 11.269 1.00 1.13 C ATOM 2327 CG LYS A 153 0.704 9.504 11.640 1.00 1.19 C ATOM 2328 CD LYS A 153 2.038 8.846 11.968 1.00 1.68 C ATOM 2329 CE LYS A 153 2.783 9.594 13.063 1.00 2.31 C ATOM 2330 NZ LYS A 153 4.178 9.104 13.212 1.00 3.03 N ATOM 0 H LYS A 153 -0.093 9.994 9.230 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.107 11.759 11.300 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.754 11.059 10.619 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.096 11.535 12.172 1.00 1.13 H new ATOM 0 HG2 LYS A 153 0.037 9.425 12.498 1.00 1.19 H new ATOM 0 HG3 LYS A 153 0.228 8.973 10.816 1.00 1.19 H new ATOM 0 HD2 LYS A 153 1.868 7.816 12.282 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.655 8.807 11.070 1.00 1.68 H new ATOM 0 HE2 LYS A 153 2.794 10.659 12.833 1.00 2.31 H new ATOM 0 HE3 LYS A 153 2.253 9.477 14.009 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 4.654 9.637 13.967 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 4.167 8.093 13.456 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 4.691 9.238 12.317 1.00 3.03 H new ATOM 2344 N THR A 154 1.002 12.770 8.973 1.00 0.78 N ATOM 2345 CA THR A 154 1.508 13.938 8.281 1.00 0.81 C ATOM 2346 C THR A 154 0.551 14.360 7.179 1.00 0.73 C ATOM 2347 O THR A 154 0.630 15.480 6.678 1.00 0.82 O ATOM 2348 CB THR A 154 2.906 13.688 7.690 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.909 12.480 6.918 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.951 13.596 8.788 1.00 1.20 C ATOM 0 H THR A 154 1.407 11.886 8.664 1.00 0.78 H new ATOM 0 HA THR A 154 1.590 14.740 9.015 1.00 0.81 H new ATOM 0 HB THR A 154 3.154 14.530 7.044 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.803 12.332 6.545 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.931 13.419 8.344 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.971 14.529 9.351 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.703 12.773 9.459 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.335 13.435 6.800 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.410 13.702 5.838 1.00 0.67 C ATOM 2360 C LYS A 155 -0.890 13.803 4.395 1.00 0.66 C ATOM 2361 O LYS A 155 -1.675 13.765 3.448 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.159 14.985 6.224 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.429 15.206 5.433 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.523 14.246 5.851 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.621 14.201 4.812 1.00 1.39 C ATOM 2366 NZ LYS A 155 -5.720 15.479 4.065 1.00 2.27 N ATOM 0 H LYS A 155 -0.328 12.478 7.152 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.096 12.856 5.875 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.404 14.947 7.285 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -1.498 15.839 6.080 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -3.771 16.231 5.573 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.222 15.082 4.370 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.105 13.249 5.989 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.937 14.554 6.811 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -5.429 13.385 4.115 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.573 13.988 5.298 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -6.583 15.476 3.484 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.758 16.272 4.737 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -4.889 15.586 3.449 1.00 2.27 H new ATOM 2380 N GLU A 156 0.430 13.887 4.250 1.00 0.62 N ATOM 2381 CA GLU A 156 1.091 14.102 2.957 1.00 0.66 C ATOM 2382 C GLU A 156 0.505 13.241 1.841 1.00 0.59 C ATOM 2383 O GLU A 156 -0.163 13.736 0.929 1.00 0.58 O ATOM 2384 CB GLU A 156 2.579 13.789 3.095 1.00 0.75 C ATOM 2385 CG GLU A 156 3.254 14.523 4.237 1.00 1.13 C ATOM 2386 CD GLU A 156 3.339 16.015 4.002 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.317 16.461 3.371 1.00 2.03 O ATOM 2388 OE2 GLU A 156 2.435 16.751 4.444 1.00 2.64 O ATOM 0 H GLU A 156 1.081 13.808 5.032 1.00 0.62 H new ATOM 0 HA GLU A 156 0.931 15.145 2.683 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.703 12.716 3.241 1.00 0.75 H new ATOM 0 HB3 GLU A 156 3.083 14.044 2.163 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.705 14.335 5.159 1.00 1.13 H new ATOM 0 HG3 GLU A 156 4.258 14.123 4.377 1.00 1.13 H new ATOM 2395 N GLY A 157 0.758 11.947 1.929 1.00 0.62 N ATOM 2396 CA GLY A 157 0.357 11.035 0.888 1.00 0.61 C ATOM 2397 C GLY A 157 -1.136 10.758 0.855 1.00 0.48 C ATOM 2398 O GLY A 157 -1.612 10.074 -0.042 1.00 0.46 O ATOM 0 H GLY A 157 1.240 11.510 2.714 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.663 11.442 -0.076 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.889 10.093 1.019 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.872 11.276 1.830 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.314 11.052 1.897 1.00 0.50 C ATOM 2404 C LEU A 158 -3.995 11.880 0.816 1.00 0.46 C ATOM 2405 O LEU A 158 -4.851 11.387 0.080 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.837 11.419 3.294 1.00 0.62 C ATOM 2407 CG LEU A 158 -5.122 10.706 3.743 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -6.334 11.207 2.972 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.977 9.201 3.579 1.00 1.27 C ATOM 0 H LEU A 158 -1.498 11.852 2.584 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.538 9.999 1.724 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.054 11.205 4.021 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.013 12.494 3.323 1.00 0.62 H new ATOM 0 HG LEU A 158 -5.279 10.934 4.797 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -7.226 10.682 3.314 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -6.456 12.277 3.141 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.190 11.022 1.908 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -5.895 8.710 3.901 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -4.788 8.966 2.532 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -4.144 8.847 4.187 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.586 13.136 0.703 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.085 14.007 -0.353 1.00 0.57 C ATOM 2423 C ASP A 159 -3.545 13.548 -1.702 1.00 0.50 C ATOM 2424 O ASP A 159 -4.245 13.590 -2.715 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.679 15.463 -0.094 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.339 16.048 1.140 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.832 15.820 2.258 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -5.368 16.740 1.003 1.00 1.58 O ATOM 0 H ASP A 159 -2.911 13.575 1.329 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.173 13.950 -0.363 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -2.596 15.519 0.018 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -3.941 16.068 -0.962 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.296 13.080 -1.700 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.651 12.581 -2.913 1.00 0.46 C ATOM 2435 C HIS A 160 -2.267 11.251 -3.348 1.00 0.41 C ATOM 2436 O HIS A 160 -2.142 10.847 -4.500 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.137 12.424 -2.688 1.00 0.50 C ATOM 2438 CG HIS A 160 0.628 11.931 -3.886 1.00 0.56 C ATOM 2439 ND1 HIS A 160 0.972 12.736 -4.948 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.126 10.702 -4.176 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.647 12.028 -5.837 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.756 10.790 -5.391 1.00 0.67 N ATOM 0 H HIS A 160 -1.709 13.037 -0.867 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.812 13.307 -3.710 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.273 13.387 -2.383 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.024 11.732 -1.861 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.042 9.817 -3.562 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.043 12.399 -6.771 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.231 10.025 -5.871 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.926 10.572 -2.427 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.602 9.325 -2.746 1.00 0.39 C ATOM 2453 C LEU A 161 -4.829 9.599 -3.600 1.00 0.39 C ATOM 2454 O LEU A 161 -5.013 8.991 -4.652 1.00 0.42 O ATOM 2455 CB LEU A 161 -4.003 8.588 -1.465 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.773 7.283 -1.676 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.941 6.293 -2.473 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.186 6.688 -0.337 1.00 0.88 C ATOM 0 H LEU A 161 -3.008 10.862 -1.452 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.915 8.692 -3.308 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.101 8.370 -0.893 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.613 9.256 -0.857 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.676 7.502 -2.246 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.506 5.372 -2.612 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.699 6.721 -3.446 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.019 6.075 -1.934 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.733 5.760 -0.504 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.297 6.483 0.260 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.824 7.394 0.194 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.645 10.543 -3.149 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.878 10.892 -3.833 1.00 0.44 C ATOM 2472 C LEU A 162 -6.612 11.334 -5.267 1.00 0.45 C ATOM 2473 O LEU A 162 -7.378 11.009 -6.173 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.596 12.004 -3.067 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.032 11.636 -1.646 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.683 12.827 -0.962 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.986 10.451 -1.676 1.00 1.06 C ATOM 0 H LEU A 162 -5.470 11.085 -2.303 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.510 10.005 -3.868 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.938 12.872 -3.015 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.477 12.305 -3.634 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.147 11.355 -1.075 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.986 12.546 0.047 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.971 13.651 -0.911 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.559 13.139 -1.531 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.287 10.201 -0.659 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.868 10.709 -2.263 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.487 9.594 -2.128 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.516 12.054 -5.476 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.189 12.547 -6.810 1.00 0.52 C ATOM 2491 C GLU A 163 -4.780 11.394 -7.726 1.00 0.51 C ATOM 2492 O GLU A 163 -5.117 11.384 -8.909 1.00 0.56 O ATOM 2493 CB GLU A 163 -4.088 13.612 -6.761 1.00 0.62 C ATOM 2494 CG GLU A 163 -2.731 13.087 -6.336 1.00 1.06 C ATOM 2495 CD GLU A 163 -1.652 14.144 -6.381 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -1.451 14.839 -5.369 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -1.002 14.288 -7.432 1.00 1.97 O ATOM 0 H GLU A 163 -4.846 12.307 -4.750 1.00 0.46 H new ATOM 0 HA GLU A 163 -6.085 13.014 -7.218 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -3.996 14.068 -7.747 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -4.392 14.400 -6.072 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -2.801 12.690 -5.323 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.448 12.258 -6.985 1.00 1.06 H new ATOM 2504 N MET A 164 -4.080 10.409 -7.166 1.00 0.49 N ATOM 2505 CA MET A 164 -3.676 9.233 -7.929 1.00 0.52 C ATOM 2506 C MET A 164 -4.899 8.398 -8.270 1.00 0.51 C ATOM 2507 O MET A 164 -5.011 7.847 -9.366 1.00 0.57 O ATOM 2508 CB MET A 164 -2.673 8.389 -7.138 1.00 0.53 C ATOM 2509 CG MET A 164 -1.338 9.072 -6.858 1.00 0.68 C ATOM 2510 SD MET A 164 -0.342 9.353 -8.340 1.00 0.87 S ATOM 2511 CE MET A 164 -1.092 10.838 -9.004 1.00 0.67 C ATOM 0 H MET A 164 -3.783 10.403 -6.190 1.00 0.49 H new ATOM 0 HA MET A 164 -3.195 9.565 -8.849 1.00 0.52 H new ATOM 0 HB2 MET A 164 -3.127 8.108 -6.188 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.484 7.466 -7.687 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.524 10.028 -6.369 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.767 8.462 -6.158 1.00 0.68 H new ATOM 0 HE1 MET A 164 -1.316 10.691 -10.061 1.00 0.67 H new ATOM 0 HE2 MET A 164 -2.014 11.052 -8.464 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.403 11.675 -8.892 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.816 8.322 -7.315 1.00 0.48 N ATOM 2522 CA ILE A 165 -7.076 7.642 -7.497 1.00 0.51 C ATOM 2523 C ILE A 165 -7.863 8.270 -8.651 1.00 0.58 C ATOM 2524 O ILE A 165 -8.279 7.578 -9.581 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.891 7.722 -6.190 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.261 6.828 -5.119 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.336 7.346 -6.418 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.904 6.967 -3.755 1.00 0.50 C ATOM 0 H ILE A 165 -5.699 8.735 -6.390 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.886 6.597 -7.743 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.872 8.755 -5.841 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.330 5.788 -5.439 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.201 7.066 -5.037 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.882 7.413 -5.477 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.779 8.028 -7.144 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.391 6.326 -6.798 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.405 6.304 -3.048 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.812 7.998 -3.413 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.959 6.700 -3.821 1.00 0.50 H new ATOM 2540 N LEU A 166 -8.032 9.590 -8.592 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.752 10.332 -9.620 1.00 0.72 C ATOM 2542 C LEU A 166 -8.077 10.202 -10.977 1.00 0.72 C ATOM 2543 O LEU A 166 -8.745 10.020 -11.996 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.828 11.803 -9.236 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.720 12.121 -8.037 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.570 13.578 -7.633 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -11.173 11.805 -8.363 1.00 1.48 C ATOM 0 H LEU A 166 -7.675 10.171 -7.833 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.755 9.912 -9.694 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.820 12.158 -9.022 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.189 12.368 -10.096 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.409 11.499 -7.198 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -10.213 13.786 -6.778 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -8.532 13.776 -7.364 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.857 14.218 -8.467 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.798 12.036 -7.500 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.494 12.405 -9.215 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -11.269 10.747 -8.608 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.749 10.295 -10.975 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.961 10.202 -12.199 1.00 0.79 C ATOM 2561 C LEU A 167 -6.338 8.938 -12.968 1.00 0.87 C ATOM 2562 O LEU A 167 -6.583 8.980 -14.171 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.461 10.210 -11.847 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.480 10.488 -13.002 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.333 9.279 -13.917 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -3.923 11.710 -13.797 1.00 1.41 C ATOM 0 H LEU A 167 -6.194 10.436 -10.131 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.172 11.060 -12.837 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.297 10.960 -11.074 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -4.209 9.243 -11.412 1.00 0.84 H new ATOM 0 HG LEU A 167 -2.503 10.690 -12.564 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.633 9.513 -14.719 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -2.957 8.432 -13.343 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -4.303 9.026 -14.344 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -3.218 11.891 -14.609 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -4.916 11.534 -14.211 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -3.952 12.580 -13.141 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.428 7.827 -12.254 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.735 6.553 -12.869 1.00 0.96 C ATOM 2580 C VAL A 168 -8.237 6.395 -13.099 1.00 1.01 C ATOM 2581 O VAL A 168 -8.661 5.699 -14.018 1.00 1.14 O ATOM 2582 CB VAL A 168 -6.180 5.399 -12.015 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.750 4.068 -12.449 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.668 5.380 -12.119 1.00 1.14 C ATOM 0 H VAL A 168 -6.292 7.786 -11.244 1.00 0.83 H new ATOM 0 HA VAL A 168 -6.252 6.521 -13.845 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.476 5.562 -10.979 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.337 3.275 -11.826 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.835 4.085 -12.344 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.489 3.883 -13.491 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.272 4.564 -11.515 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.377 5.236 -13.159 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.266 6.327 -11.757 1.00 1.14 H new