USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=24 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 151 SER OG : rot 138:sc= 1.23 USER MOD Set 1.2: A 154 THR OG1 : rot -175:sc= 1.39 USER MOD Set 2.1: A 104 LYS NZ :NH3+ -143:sc= 0.408 (180deg=-0.525) USER MOD Set 2.2: A 135 ASN : amide:sc= -0.142 X(o=0.27,f=-0.044) USER MOD Set 3.1: A 19 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-7.9!) USER MOD Set 3.2: A 96 THR OG1 : rot -120:sc= 0.00113 USER MOD Set 4.1: A 49 GLN : amide:sc= 0.864 K(o=1.9,f=0.35) USER MOD Set 4.2: A 58 THR OG1 : rot -52:sc= 1.01 USER MOD Set 5.1: A 31 SER OG : rot 180:sc= 0.811 USER MOD Set 5.2: A 155 LYS NZ :NH3+ -149:sc= 0.523 (180deg=-2.18!) USER MOD Set 6.1: A 16 HIS : no HD1:sc= -4.16! C(o=-4.8!,f=-8.9!) USER MOD Set 6.2: A 93 MET CE :methyl 131:sc= -1.15 (180deg=-2.98!) USER MOD Set 6.3: A 95 GLN : amide:sc= 0.488 K(o=-4.8,f=-13!) 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+ 167:sc= -0.01 (180deg=-0.175) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -0.44 USER MOD Single : A 30 HIS : no HE2:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 48 TYR OH : rot 107:sc= -3.28! USER MOD Single : A 101 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.9!) USER MOD Single : A 102 HIS : no HD1:sc=-0.00319 X(o=-0.0032,f=0) USER MOD Single : A 107 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.2) USER MOD Single : A 115 ASN : amide:sc= 0.203 K(o=0.2,f=-3.4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 147:sc= -0.965 (180deg=-3) USER MOD Single : A 123 ASN : amide:sc= 0.439 K(o=0.44,f=-5.8!) USER MOD Single : A 128 MET CE :methyl -136:sc= -1.63 (180deg=-3.75!) USER MOD Single : A 129 GLN : amide:sc= 0.893 K(o=0.89,f=-0.64) USER MOD Single : A 132 MET CE :methyl 159:sc= -4.03! (180deg=-6.15!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot -60:sc= -1.06 USER MOD Single : A 148 CYS SG : rot 110:sc= -0.562 USER MOD Single : A 149 LYS NZ :NH3+ -172:sc= 0.517 (180deg=0.349) USER MOD Single : A 153 LYS NZ :NH3+ 161:sc= -0.103 (180deg=-0.533) USER MOD Single : A 160 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.6!) USER MOD Single : A 164 MET CE :methyl -175:sc= -7.08! (180deg=-7.16!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.555 2.731 -5.625 1.00 0.67 N ATOM 156 CA VAL A 11 -13.239 2.217 -5.338 1.00 0.60 C ATOM 157 C VAL A 11 -13.231 1.371 -4.061 1.00 0.56 C ATOM 158 O VAL A 11 -13.846 1.737 -3.059 1.00 0.74 O ATOM 159 CB VAL A 11 -12.257 3.394 -5.198 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.942 2.929 -4.635 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.051 4.089 -6.538 1.00 0.98 C ATOM 0 HA VAL A 11 -12.933 1.571 -6.161 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.690 4.114 -4.503 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.264 3.778 -4.545 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -11.103 2.487 -3.652 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.505 2.184 -5.300 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.353 4.917 -6.415 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.646 3.378 -7.258 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.006 4.470 -6.901 1.00 0.98 H new ATOM 171 N THR A 12 -12.528 0.245 -4.105 1.00 0.46 N ATOM 172 CA THR A 12 -12.423 -0.639 -2.955 1.00 0.45 C ATOM 173 C THR A 12 -11.053 -0.502 -2.290 1.00 0.39 C ATOM 174 O THR A 12 -10.024 -0.438 -2.970 1.00 0.43 O ATOM 175 CB THR A 12 -12.647 -2.105 -3.373 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.926 -2.232 -4.006 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.579 -3.039 -2.174 1.00 0.62 C ATOM 0 H THR A 12 -12.021 -0.076 -4.930 1.00 0.46 H new ATOM 0 HA THR A 12 -13.195 -0.350 -2.242 1.00 0.45 H new ATOM 0 HB THR A 12 -11.856 -2.385 -4.068 1.00 0.55 H new ATOM 0 HG1 THR A 12 -14.068 -3.164 -4.273 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.741 -4.066 -2.503 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.598 -2.959 -1.705 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.349 -2.763 -1.454 1.00 0.62 H new ATOM 185 N ILE A 13 -11.041 -0.442 -0.965 1.00 0.39 N ATOM 186 CA ILE A 13 -9.796 -0.326 -0.228 1.00 0.38 C ATOM 187 C ILE A 13 -9.277 -1.702 0.172 1.00 0.37 C ATOM 188 O ILE A 13 -9.974 -2.479 0.823 1.00 0.51 O ATOM 189 CB ILE A 13 -9.960 0.546 1.032 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.461 1.938 0.647 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.640 0.643 1.789 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.627 2.870 1.825 1.00 1.03 C ATOM 0 H ILE A 13 -11.878 -0.472 -0.383 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.076 0.156 -0.889 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.696 0.079 1.687 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.762 2.383 -0.062 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.418 1.841 0.134 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.774 1.262 2.676 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.318 -0.354 2.088 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.883 1.091 1.145 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.985 3.838 1.475 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.348 2.447 2.524 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.667 2.998 2.326 1.00 1.03 H new ATOM 204 N MET A 14 -8.051 -1.982 -0.228 1.00 0.31 N ATOM 205 CA MET A 14 -7.387 -3.248 0.095 1.00 0.35 C ATOM 206 C MET A 14 -6.278 -3.019 1.118 1.00 0.29 C ATOM 207 O MET A 14 -6.114 -1.907 1.616 1.00 0.46 O ATOM 208 CB MET A 14 -6.793 -3.877 -1.166 1.00 0.56 C ATOM 209 CG MET A 14 -7.519 -5.125 -1.637 1.00 0.75 C ATOM 210 SD MET A 14 -9.193 -4.805 -2.214 1.00 1.04 S ATOM 211 CE MET A 14 -9.663 -6.441 -2.765 1.00 0.77 C ATOM 0 H MET A 14 -7.481 -1.345 -0.785 1.00 0.31 H new ATOM 0 HA MET A 14 -8.131 -3.925 0.516 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.805 -3.138 -1.968 1.00 0.56 H new ATOM 0 HB3 MET A 14 -5.749 -4.126 -0.977 1.00 0.56 H new ATOM 0 HG2 MET A 14 -6.947 -5.586 -2.442 1.00 0.75 H new ATOM 0 HG3 MET A 14 -7.556 -5.845 -0.819 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.681 -6.415 -3.154 1.00 0.77 H new ATOM 0 HE2 MET A 14 -8.983 -6.770 -3.550 1.00 0.77 H new ATOM 0 HE3 MET A 14 -9.612 -7.136 -1.927 1.00 0.77 H new ATOM 221 N GLY A 15 -5.515 -4.063 1.436 1.00 0.34 N ATOM 222 CA GLY A 15 -4.432 -3.911 2.364 1.00 0.45 C ATOM 223 C GLY A 15 -4.721 -4.587 3.677 1.00 0.62 C ATOM 224 O GLY A 15 -5.829 -4.489 4.213 1.00 1.55 O ATOM 0 H GLY A 15 -5.636 -5.005 1.063 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.522 -4.329 1.933 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.246 -2.851 2.535 1.00 0.45 H new ATOM 228 N HIS A 16 -3.730 -5.317 4.147 1.00 0.51 N ATOM 229 CA HIS A 16 -3.742 -5.912 5.483 1.00 0.45 C ATOM 230 C HIS A 16 -4.234 -4.903 6.526 1.00 0.49 C ATOM 231 O HIS A 16 -3.839 -3.736 6.528 1.00 0.64 O ATOM 232 CB HIS A 16 -2.334 -6.418 5.834 1.00 0.43 C ATOM 233 CG HIS A 16 -2.165 -6.872 7.257 1.00 0.48 C ATOM 234 ND1 HIS A 16 -2.868 -7.934 7.766 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.364 -6.370 8.225 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.485 -8.053 9.027 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.573 -7.126 9.349 1.00 0.59 N ATOM 0 H HIS A 16 -2.884 -5.520 3.615 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.433 -6.755 5.488 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.085 -7.246 5.171 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.617 -5.622 5.633 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.688 -5.533 8.130 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.860 -8.802 9.709 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.121 -7.006 10.256 1.00 0.59 H new ATOM 245 N VAL A 17 -5.105 -5.387 7.407 1.00 0.53 N ATOM 246 CA VAL A 17 -5.844 -4.551 8.354 1.00 0.67 C ATOM 247 C VAL A 17 -4.941 -3.668 9.228 1.00 0.64 C ATOM 248 O VAL A 17 -5.351 -2.579 9.643 1.00 0.78 O ATOM 249 CB VAL A 17 -6.739 -5.434 9.256 1.00 0.87 C ATOM 250 CG1 VAL A 17 -5.902 -6.408 10.074 1.00 1.55 C ATOM 251 CG2 VAL A 17 -7.617 -4.586 10.164 1.00 1.62 C ATOM 0 H VAL A 17 -5.321 -6.381 7.486 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.455 -3.877 7.754 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.392 -6.013 8.603 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -6.557 -7.015 10.698 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.338 -7.055 9.403 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -5.211 -5.851 10.707 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -8.233 -5.236 10.785 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -6.988 -3.965 10.802 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -8.259 -3.948 9.557 1.00 1.62 H new ATOM 261 N ASP A 18 -3.724 -4.124 9.497 1.00 0.57 N ATOM 262 CA ASP A 18 -2.819 -3.410 10.398 1.00 0.61 C ATOM 263 C ASP A 18 -2.015 -2.337 9.670 1.00 0.56 C ATOM 264 O ASP A 18 -1.543 -1.384 10.288 1.00 0.69 O ATOM 265 CB ASP A 18 -1.876 -4.400 11.085 1.00 0.69 C ATOM 266 CG ASP A 18 -0.831 -3.725 11.953 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.189 -3.239 13.049 1.00 1.17 O ATOM 268 OD2 ASP A 18 0.346 -3.669 11.543 1.00 1.78 O ATOM 0 H ASP A 18 -3.338 -4.984 9.106 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.430 -2.907 11.148 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.462 -5.084 11.699 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.375 -5.002 10.326 1.00 0.69 H new ATOM 273 N HIS A 19 -1.883 -2.476 8.355 1.00 0.46 N ATOM 274 CA HIS A 19 -1.088 -1.541 7.569 1.00 0.48 C ATOM 275 C HIS A 19 -1.657 -0.130 7.653 1.00 0.58 C ATOM 276 O HIS A 19 -0.911 0.850 7.680 1.00 0.65 O ATOM 277 CB HIS A 19 -1.004 -1.997 6.112 1.00 0.46 C ATOM 278 CG HIS A 19 -0.065 -3.145 5.893 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.108 -3.902 4.746 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.940 -3.601 6.682 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.863 -4.789 4.861 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.521 -4.644 6.014 1.00 0.48 N ATOM 0 H HIS A 19 -2.315 -3.225 7.813 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.081 -1.525 7.987 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.999 -2.283 5.772 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.686 -1.156 5.495 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.226 -3.216 7.650 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.096 -5.537 4.117 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.309 -5.206 6.336 1.00 0.48 H new ATOM 290 N GLY A 20 -2.978 -0.027 7.706 1.00 0.76 N ATOM 291 CA GLY A 20 -3.600 1.268 7.868 1.00 0.90 C ATOM 292 C GLY A 20 -4.988 1.336 7.274 1.00 0.81 C ATOM 293 O GLY A 20 -5.194 1.958 6.239 1.00 0.93 O ATOM 0 H GLY A 20 -3.625 -0.813 7.640 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.653 1.509 8.930 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.973 2.027 7.400 1.00 0.90 H new ATOM 297 N LYS A 21 -5.942 0.671 7.913 1.00 0.79 N ATOM 298 CA LYS A 21 -7.330 0.752 7.485 1.00 0.87 C ATOM 299 C LYS A 21 -8.052 1.889 8.191 1.00 0.89 C ATOM 300 O LYS A 21 -8.358 2.918 7.588 1.00 0.93 O ATOM 301 CB LYS A 21 -8.075 -0.550 7.740 1.00 1.09 C ATOM 302 CG LYS A 21 -7.810 -1.626 6.699 1.00 1.20 C ATOM 303 CD LYS A 21 -8.225 -1.164 5.308 1.00 1.39 C ATOM 304 CE LYS A 21 -8.027 -2.255 4.269 1.00 1.73 C ATOM 305 NZ LYS A 21 -8.917 -3.421 4.513 1.00 2.11 N ATOM 0 H LYS A 21 -5.781 0.074 8.724 1.00 0.79 H new ATOM 0 HA LYS A 21 -7.318 0.942 6.412 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.794 -0.931 8.722 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -9.145 -0.345 7.772 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.750 -1.882 6.699 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.356 -2.532 6.962 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -9.272 -0.862 5.323 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.644 -0.286 5.028 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.223 -1.850 3.276 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -6.988 -2.583 4.280 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -8.916 -4.039 3.677 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -8.573 -3.954 5.338 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -9.885 -3.087 4.696 1.00 2.11 H new ATOM 319 N THR A 22 -8.306 1.697 9.481 1.00 0.92 N ATOM 320 CA THR A 22 -9.037 2.674 10.276 1.00 1.00 C ATOM 321 C THR A 22 -8.251 3.978 10.380 1.00 0.99 C ATOM 322 O THR A 22 -8.832 5.063 10.452 1.00 1.03 O ATOM 323 CB THR A 22 -9.357 2.124 11.687 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.061 3.105 12.462 1.00 1.80 O ATOM 325 CG2 THR A 22 -8.086 1.707 12.416 1.00 1.65 C ATOM 0 H THR A 22 -8.014 0.869 10.000 1.00 0.92 H new ATOM 0 HA THR A 22 -9.982 2.874 9.770 1.00 1.00 H new ATOM 0 HB THR A 22 -9.989 1.245 11.564 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.257 2.741 13.350 1.00 1.80 H new ATOM 0 HG21 THR A 22 -8.342 1.325 13.404 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.578 0.929 11.846 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.427 2.569 12.520 1.00 1.65 H new ATOM 333 N THR A 23 -6.928 3.871 10.352 1.00 0.99 N ATOM 334 CA THR A 23 -6.074 5.043 10.405 1.00 1.02 C ATOM 335 C THR A 23 -6.107 5.797 9.080 1.00 0.96 C ATOM 336 O THR A 23 -5.902 7.010 9.042 1.00 0.96 O ATOM 337 CB THR A 23 -4.625 4.660 10.754 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.221 3.523 9.983 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.489 4.342 12.234 1.00 1.41 C ATOM 0 H THR A 23 -6.427 2.984 10.293 1.00 0.99 H new ATOM 0 HA THR A 23 -6.458 5.694 11.191 1.00 1.02 H new ATOM 0 HB THR A 23 -3.983 5.509 10.519 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.562 3.002 10.488 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.456 4.074 12.455 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.771 5.216 12.821 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.142 3.507 12.488 1.00 1.41 H new ATOM 347 N LEU A 24 -6.397 5.081 7.997 1.00 0.96 N ATOM 348 CA LEU A 24 -6.490 5.708 6.686 1.00 0.96 C ATOM 349 C LEU A 24 -7.844 6.389 6.576 1.00 0.89 C ATOM 350 O LEU A 24 -7.941 7.567 6.235 1.00 0.91 O ATOM 351 CB LEU A 24 -6.312 4.651 5.581 1.00 1.06 C ATOM 352 CG LEU A 24 -5.961 5.172 4.179 1.00 0.88 C ATOM 353 CD1 LEU A 24 -7.154 5.841 3.520 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.787 6.132 4.251 1.00 1.57 C ATOM 0 H LEU A 24 -6.570 4.076 8.002 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.701 6.450 6.564 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.529 3.960 5.893 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.235 4.075 5.509 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.680 4.316 3.565 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -6.870 6.198 2.530 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -7.969 5.123 3.427 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -7.481 6.684 4.129 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.550 6.493 3.250 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.046 6.977 4.889 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -3.921 5.617 4.666 1.00 1.57 H new ATOM 366 N LEU A 25 -8.878 5.628 6.911 1.00 0.88 N ATOM 367 CA LEU A 25 -10.256 6.103 6.889 1.00 0.91 C ATOM 368 C LEU A 25 -10.412 7.346 7.773 1.00 0.89 C ATOM 369 O LEU A 25 -11.130 8.275 7.428 1.00 0.92 O ATOM 370 CB LEU A 25 -11.169 4.981 7.406 1.00 1.02 C ATOM 371 CG LEU A 25 -12.477 4.753 6.645 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.356 5.994 6.676 1.00 1.76 C ATOM 373 CD2 LEU A 25 -12.188 4.327 5.214 1.00 1.96 C ATOM 0 H LEU A 25 -8.784 4.657 7.208 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.530 6.373 5.869 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.603 4.050 7.396 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.414 5.194 8.447 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.024 3.951 7.141 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.278 5.801 6.127 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.595 6.245 7.709 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -12.826 6.827 6.214 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -13.128 4.168 4.685 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -11.615 5.106 4.711 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -11.614 3.401 5.219 1.00 1.96 H new ATOM 385 N ASP A 26 -9.730 7.365 8.911 1.00 0.91 N ATOM 386 CA ASP A 26 -9.861 8.477 9.850 1.00 0.96 C ATOM 387 C ASP A 26 -9.281 9.768 9.283 1.00 0.92 C ATOM 388 O ASP A 26 -9.971 10.787 9.200 1.00 0.95 O ATOM 389 CB ASP A 26 -9.180 8.158 11.166 1.00 1.05 C ATOM 390 CG ASP A 26 -9.335 9.280 12.175 1.00 1.21 C ATOM 391 OD1 ASP A 26 -8.509 10.218 12.159 1.00 1.38 O ATOM 392 OD2 ASP A 26 -10.288 9.236 12.978 1.00 1.35 O ATOM 0 H ASP A 26 -9.086 6.632 9.206 1.00 0.91 H new ATOM 0 HA ASP A 26 -10.928 8.622 10.020 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -9.600 7.240 11.578 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.120 7.973 10.990 1.00 1.05 H new ATOM 397 N ALA A 27 -8.010 9.725 8.903 1.00 0.89 N ATOM 398 CA ALA A 27 -7.332 10.884 8.336 1.00 0.89 C ATOM 399 C ALA A 27 -8.011 11.335 7.063 1.00 0.85 C ATOM 400 O ALA A 27 -8.182 12.527 6.831 1.00 0.90 O ATOM 401 CB ALA A 27 -5.878 10.558 8.065 1.00 0.91 C ATOM 0 H ALA A 27 -7.424 8.893 8.978 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.384 11.698 9.059 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.382 11.431 7.642 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.388 10.279 8.998 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -5.816 9.729 7.360 1.00 0.91 H new ATOM 407 N ILE A 28 -8.417 10.376 6.252 1.00 0.82 N ATOM 408 CA ILE A 28 -9.064 10.678 4.992 1.00 0.83 C ATOM 409 C ILE A 28 -10.393 11.396 5.241 1.00 0.88 C ATOM 410 O ILE A 28 -10.780 12.269 4.481 1.00 0.94 O ATOM 411 CB ILE A 28 -9.259 9.387 4.166 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.256 9.675 2.670 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.546 8.676 4.547 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.064 8.418 1.858 1.00 0.95 C ATOM 0 H ILE A 28 -8.309 9.380 6.445 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.427 11.347 4.413 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.416 8.735 4.396 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.197 10.149 2.389 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.460 10.383 2.438 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.653 7.772 3.948 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.515 8.410 5.604 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.394 9.336 4.364 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.068 8.666 0.797 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.111 7.958 2.120 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.874 7.720 2.070 1.00 0.95 H new ATOM 426 N ARG A 29 -11.060 11.054 6.347 1.00 0.93 N ATOM 427 CA ARG A 29 -12.289 11.736 6.746 1.00 1.04 C ATOM 428 C ARG A 29 -11.990 13.147 7.214 1.00 1.08 C ATOM 429 O ARG A 29 -12.773 14.069 7.002 1.00 1.17 O ATOM 430 CB ARG A 29 -12.988 10.987 7.872 1.00 1.16 C ATOM 431 CG ARG A 29 -13.671 9.721 7.421 1.00 1.33 C ATOM 432 CD ARG A 29 -14.382 9.037 8.574 1.00 1.58 C ATOM 433 NE ARG A 29 -15.280 9.945 9.285 1.00 2.13 N ATOM 434 CZ ARG A 29 -15.757 9.700 10.502 1.00 2.85 C ATOM 435 NH1 ARG A 29 -15.407 8.598 11.146 1.00 3.29 N ATOM 436 NH2 ARG A 29 -16.573 10.567 11.086 1.00 3.56 N ATOM 0 H ARG A 29 -10.768 10.309 6.980 1.00 0.93 H new ATOM 0 HA ARG A 29 -12.941 11.768 5.873 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.257 10.741 8.642 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.726 11.645 8.331 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.389 9.953 6.635 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -12.935 9.042 6.990 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -14.951 8.188 8.195 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -13.643 8.640 9.270 1.00 1.58 H new ATOM 0 HE ARG A 29 -15.555 10.812 8.824 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -14.769 7.933 10.709 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -15.775 8.414 12.079 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -16.837 11.425 10.602 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -16.937 10.376 12.019 1.00 3.56 H new ATOM 450 N HIS A 30 -10.845 13.304 7.851 1.00 1.05 N ATOM 451 CA HIS A 30 -10.419 14.597 8.346 1.00 1.13 C ATOM 452 C HIS A 30 -9.878 15.462 7.218 1.00 1.15 C ATOM 453 O HIS A 30 -9.222 16.474 7.459 1.00 1.32 O ATOM 454 CB HIS A 30 -9.378 14.437 9.434 1.00 1.23 C ATOM 455 CG HIS A 30 -9.928 14.024 10.751 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.020 12.717 11.175 1.00 2.44 N ATOM 457 CD2 HIS A 30 -10.409 14.774 11.739 1.00 2.01 C ATOM 458 CE1 HIS A 30 -10.538 12.691 12.390 1.00 2.88 C ATOM 459 NE2 HIS A 30 -10.787 13.933 12.757 1.00 2.60 N ATOM 0 H HIS A 30 -10.190 12.545 8.038 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.290 15.096 8.770 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -8.644 13.698 9.112 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.848 15.382 9.555 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -9.734 11.899 10.637 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -10.488 15.851 11.740 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -10.725 11.806 12.980 1.00 2.88 H new ATOM 468 N SER A 31 -10.149 15.052 5.986 1.00 1.07 N ATOM 469 CA SER A 31 -9.768 15.835 4.831 1.00 1.19 C ATOM 470 C SER A 31 -10.901 16.809 4.509 1.00 1.32 C ATOM 471 O SER A 31 -10.737 17.716 3.694 1.00 1.76 O ATOM 472 CB SER A 31 -9.436 14.916 3.650 1.00 1.15 C ATOM 473 OG SER A 31 -8.391 15.460 2.861 1.00 1.50 O ATOM 0 H SER A 31 -10.632 14.181 5.767 1.00 1.07 H new ATOM 0 HA SER A 31 -8.867 16.411 5.040 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.143 13.933 4.020 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.324 14.773 3.035 1.00 1.15 H new ATOM 0 HG SER A 31 -8.196 14.855 2.115 1.00 1.50 H new ATOM 706 N TYR A 48 -17.658 6.828 3.103 1.00 1.05 N ATOM 707 CA TYR A 48 -17.679 8.233 2.706 1.00 1.04 C ATOM 708 C TYR A 48 -17.480 8.385 1.202 1.00 0.91 C ATOM 709 O TYR A 48 -17.303 7.398 0.482 1.00 0.86 O ATOM 710 CB TYR A 48 -16.567 8.993 3.430 1.00 1.16 C ATOM 711 CG TYR A 48 -15.205 8.438 3.111 1.00 1.12 C ATOM 712 CD1 TYR A 48 -14.834 7.200 3.594 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.314 9.125 2.306 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.620 6.652 3.292 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.088 8.579 1.991 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.747 7.338 2.490 1.00 1.96 C ATOM 717 OH TYR A 48 -11.536 6.776 2.179 1.00 2.54 O ATOM 0 HA TYR A 48 -18.653 8.641 2.975 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.605 10.045 3.149 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -16.736 8.944 4.506 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.519 6.652 4.225 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.581 10.098 1.921 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.350 5.682 3.684 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.399 9.119 1.358 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.545 6.475 1.246 1.00 2.54 H new ATOM 727 N GLN A 49 -17.506 9.631 0.745 1.00 1.01 N ATOM 728 CA GLN A 49 -17.163 9.974 -0.629 1.00 1.00 C ATOM 729 C GLN A 49 -16.279 11.215 -0.620 1.00 1.11 C ATOM 730 O GLN A 49 -16.595 12.189 0.060 1.00 1.34 O ATOM 731 CB GLN A 49 -18.414 10.245 -1.473 1.00 1.16 C ATOM 732 CG GLN A 49 -19.371 9.069 -1.566 1.00 1.18 C ATOM 733 CD GLN A 49 -20.396 9.251 -2.668 1.00 1.42 C ATOM 734 OE1 GLN A 49 -20.167 8.852 -3.809 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.530 9.856 -2.345 1.00 1.96 N ATOM 0 H GLN A 49 -17.766 10.434 1.318 1.00 1.01 H new ATOM 0 HA GLN A 49 -16.637 9.130 -1.074 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -18.945 11.098 -1.051 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.105 10.528 -2.479 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -18.805 8.155 -1.746 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.884 8.944 -0.612 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.684 10.173 -1.388 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.249 10.004 -3.053 1.00 1.96 H new ATOM 744 N VAL A 50 -15.174 11.175 -1.353 1.00 1.04 N ATOM 745 CA VAL A 50 -14.257 12.308 -1.391 1.00 1.18 C ATOM 746 C VAL A 50 -14.509 13.169 -2.612 1.00 1.28 C ATOM 747 O VAL A 50 -14.966 12.692 -3.656 1.00 1.38 O ATOM 748 CB VAL A 50 -12.778 11.865 -1.388 1.00 1.24 C ATOM 749 CG1 VAL A 50 -11.824 13.053 -1.424 1.00 1.93 C ATOM 750 CG2 VAL A 50 -12.494 11.022 -0.170 1.00 1.59 C ATOM 0 H VAL A 50 -14.892 10.379 -1.925 1.00 1.04 H new ATOM 0 HA VAL A 50 -14.446 12.885 -0.486 1.00 1.18 H new ATOM 0 HB VAL A 50 -12.612 11.279 -2.292 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -10.795 12.694 -1.421 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -12.002 13.635 -2.328 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -11.992 13.681 -0.549 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -11.448 10.714 -0.176 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -12.696 11.603 0.730 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.132 10.139 -0.182 1.00 1.59 H new ATOM 860 N ILE A 57 -15.595 10.411 -5.396 1.00 1.14 N ATOM 861 CA ILE A 57 -15.154 9.026 -5.350 1.00 0.88 C ATOM 862 C ILE A 57 -15.759 8.305 -4.150 1.00 0.85 C ATOM 863 O ILE A 57 -15.602 8.745 -3.008 1.00 0.97 O ATOM 864 CB ILE A 57 -13.613 8.930 -5.267 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.955 9.865 -6.289 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.161 7.492 -5.493 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.446 9.951 -6.157 1.00 0.86 C ATOM 0 HA ILE A 57 -15.492 8.551 -6.271 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.302 9.242 -4.270 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -13.204 9.523 -7.294 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.378 10.864 -6.179 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.074 7.438 -5.432 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.599 6.849 -4.730 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.486 7.159 -6.479 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.053 10.631 -6.913 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.188 10.323 -5.165 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.011 8.961 -6.298 1.00 0.86 H new ATOM 879 N THR A 58 -16.449 7.208 -4.413 1.00 0.80 N ATOM 880 CA THR A 58 -17.020 6.383 -3.363 1.00 0.80 C ATOM 881 C THR A 58 -15.970 5.400 -2.850 1.00 0.73 C ATOM 882 O THR A 58 -15.388 4.647 -3.634 1.00 0.85 O ATOM 883 CB THR A 58 -18.234 5.589 -3.887 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.097 6.448 -4.645 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.016 4.966 -2.739 1.00 1.28 C ATOM 0 H THR A 58 -16.628 6.866 -5.357 1.00 0.80 H new ATOM 0 HA THR A 58 -17.346 7.039 -2.556 1.00 0.80 H new ATOM 0 HB THR A 58 -17.862 4.790 -4.528 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.316 7.242 -4.114 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.866 4.412 -3.136 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.368 4.287 -2.184 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.374 5.752 -2.074 1.00 1.28 H new ATOM 893 N PHE A 59 -15.719 5.409 -1.549 1.00 0.65 N ATOM 894 CA PHE A 59 -14.723 4.520 -0.969 1.00 0.64 C ATOM 895 C PHE A 59 -15.393 3.414 -0.175 1.00 0.73 C ATOM 896 O PHE A 59 -16.111 3.680 0.788 1.00 0.83 O ATOM 897 CB PHE A 59 -13.757 5.291 -0.070 1.00 0.64 C ATOM 898 CG PHE A 59 -12.776 6.150 -0.816 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.199 7.313 -1.441 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.441 5.796 -0.903 1.00 0.75 C ATOM 901 CE1 PHE A 59 -12.307 8.106 -2.135 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.547 6.585 -1.597 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.948 7.738 -2.178 1.00 0.70 C ATOM 0 H PHE A 59 -16.188 6.018 -0.878 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.156 4.076 -1.788 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.333 5.921 0.608 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.206 4.581 0.546 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.238 7.602 -1.384 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.095 4.893 -0.423 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.647 8.998 -2.639 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.515 6.278 -1.677 1.00 0.79 H new ATOM 0 HZ PHE A 59 -10.229 8.374 -2.673 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.081 -0.829 -9.000 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.999 -0.046 -8.417 1.00 0.55 C ATOM 1223 C ILE A 81 -9.659 -0.572 -7.032 1.00 0.47 C ATOM 1224 O ILE A 81 -10.503 -0.569 -6.133 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.354 1.455 -8.319 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.580 2.045 -9.712 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.246 2.217 -7.601 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.326 2.076 -10.556 1.00 0.73 C ATOM 0 HA ILE A 81 -9.138 -0.147 -9.078 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.276 1.553 -7.746 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.343 1.461 -10.227 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.968 3.059 -9.612 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.511 3.273 -7.540 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -9.121 1.816 -6.595 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.313 2.108 -8.154 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.554 2.506 -11.531 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.569 2.683 -10.060 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.949 1.061 -10.686 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.429 -1.038 -6.873 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.987 -1.619 -5.625 1.00 0.30 C ATOM 1242 C VAL A 82 -6.919 -0.761 -4.958 1.00 0.25 C ATOM 1243 O VAL A 82 -5.812 -0.650 -5.469 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.401 -3.008 -5.896 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.794 -3.584 -4.641 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.469 -3.927 -6.463 1.00 1.19 C ATOM 0 H VAL A 82 -7.717 -1.022 -7.603 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.847 -1.683 -4.959 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.606 -2.915 -6.636 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.383 -4.571 -4.855 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.998 -2.929 -4.288 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.561 -3.669 -3.872 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.040 -4.911 -6.651 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.287 -4.019 -5.748 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.848 -3.512 -7.397 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.234 -0.162 -3.818 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.231 0.610 -3.091 1.00 0.25 C ATOM 1258 C ILE A 83 -5.584 -0.248 -2.036 1.00 0.27 C ATOM 1259 O ILE A 83 -6.133 -0.428 -0.960 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.808 1.837 -2.362 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.944 2.459 -3.157 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.706 2.855 -2.100 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.386 3.807 -2.629 1.00 1.32 C ATOM 0 H ILE A 83 -8.156 -0.192 -3.382 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.523 0.948 -3.848 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.215 1.511 -1.405 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -7.632 2.570 -4.195 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.796 1.779 -3.151 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.124 3.719 -1.584 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -4.932 2.402 -1.480 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.272 3.173 -3.048 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.199 4.190 -3.245 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -8.730 3.700 -1.600 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.548 4.503 -2.661 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.419 -0.751 -2.328 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.746 -1.644 -1.405 1.00 0.27 C ATOM 1277 C LEU A 84 -2.915 -0.857 -0.400 1.00 0.27 C ATOM 1278 O LEU A 84 -1.930 -0.223 -0.768 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.845 -2.588 -2.170 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.133 -3.616 -1.328 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.002 -4.852 -1.195 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -0.786 -3.929 -1.943 1.00 1.33 C ATOM 0 H LEU A 84 -3.910 -0.564 -3.192 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.503 -2.213 -0.865 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.442 -3.106 -2.921 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.099 -2.000 -2.705 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.956 -3.228 -0.325 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.487 -5.595 -0.586 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -3.945 -4.584 -0.719 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.199 -5.266 -2.184 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.272 -4.672 -1.334 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -0.928 -4.321 -2.950 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.187 -3.020 -1.989 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.304 -0.894 0.862 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.548 -0.198 1.890 1.00 0.28 C ATOM 1296 C VAL A 85 -1.342 -1.032 2.332 1.00 0.27 C ATOM 1297 O VAL A 85 -1.402 -2.263 2.392 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.426 0.164 3.111 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.753 -1.058 3.944 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.757 1.230 3.961 1.00 1.20 C ATOM 0 H VAL A 85 -4.128 -1.392 1.198 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.193 0.735 1.452 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.365 0.566 2.731 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.371 -0.765 4.793 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.294 -1.780 3.333 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.829 -1.509 4.306 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.393 1.468 4.813 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.796 0.861 4.318 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.601 2.128 3.363 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.244 -0.340 2.593 1.00 0.25 N ATOM 1311 CA VAL A 86 0.997 -0.928 3.039 1.00 0.27 C ATOM 1312 C VAL A 86 1.520 -0.075 4.198 1.00 0.24 C ATOM 1313 O VAL A 86 0.919 0.943 4.518 1.00 0.26 O ATOM 1314 CB VAL A 86 1.995 -0.970 1.851 1.00 0.36 C ATOM 1315 CG1 VAL A 86 3.423 -1.162 2.294 1.00 1.12 C ATOM 1316 CG2 VAL A 86 1.601 -2.064 0.874 1.00 0.95 C ATOM 0 H VAL A 86 -0.196 0.674 2.496 1.00 0.25 H new ATOM 0 HA VAL A 86 0.860 -1.952 3.386 1.00 0.27 H new ATOM 0 HB VAL A 86 1.942 0.001 1.359 1.00 0.36 H new ATOM 0 HG11 VAL A 86 4.075 -1.184 1.421 1.00 1.12 H new ATOM 0 HG12 VAL A 86 3.716 -0.338 2.945 1.00 1.12 H new ATOM 0 HG13 VAL A 86 3.512 -2.103 2.837 1.00 1.12 H new ATOM 0 HG21 VAL A 86 2.308 -2.084 0.045 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.612 -3.028 1.383 1.00 0.95 H new ATOM 0 HG23 VAL A 86 0.599 -1.867 0.492 1.00 0.95 H new ATOM 1326 N ALA A 87 2.604 -0.473 4.837 1.00 0.28 N ATOM 1327 CA ALA A 87 3.131 0.293 5.956 1.00 0.32 C ATOM 1328 C ALA A 87 4.649 0.203 6.061 1.00 0.46 C ATOM 1329 O ALA A 87 5.195 -0.870 6.305 1.00 0.75 O ATOM 1330 CB ALA A 87 2.473 -0.156 7.246 1.00 0.42 C ATOM 0 H ALA A 87 3.134 -1.313 4.605 1.00 0.28 H new ATOM 0 HA ALA A 87 2.894 1.342 5.777 1.00 0.32 H new ATOM 0 HB1 ALA A 87 2.873 0.422 8.079 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.396 0.001 7.179 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.676 -1.215 7.409 1.00 0.42 H new ATOM 1336 N ALA A 88 5.306 1.354 5.857 1.00 0.37 N ATOM 1337 CA ALA A 88 6.753 1.528 6.059 1.00 0.59 C ATOM 1338 C ALA A 88 7.592 0.345 5.572 1.00 0.53 C ATOM 1339 O ALA A 88 7.907 0.234 4.386 1.00 1.14 O ATOM 1340 CB ALA A 88 7.040 1.799 7.528 1.00 1.18 C ATOM 0 H ALA A 88 4.840 2.205 5.542 1.00 0.37 H new ATOM 0 HA ALA A 88 7.048 2.382 5.449 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.113 1.927 7.672 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.522 2.706 7.839 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.691 0.958 8.128 1.00 1.18 H new ATOM 1346 N ASP A 89 7.937 -0.536 6.504 1.00 0.56 N ATOM 1347 CA ASP A 89 8.896 -1.606 6.254 1.00 0.93 C ATOM 1348 C ASP A 89 8.221 -2.966 6.179 1.00 0.85 C ATOM 1349 O ASP A 89 8.876 -3.972 5.916 1.00 1.24 O ATOM 1350 CB ASP A 89 9.944 -1.628 7.369 1.00 1.44 C ATOM 1351 CG ASP A 89 9.345 -1.942 8.726 1.00 1.68 C ATOM 1352 OD1 ASP A 89 8.534 -1.132 9.227 1.00 1.90 O ATOM 1353 OD2 ASP A 89 9.691 -2.991 9.311 1.00 2.01 O ATOM 0 H ASP A 89 7.561 -0.529 7.452 1.00 0.56 H new ATOM 0 HA ASP A 89 9.368 -1.408 5.292 1.00 0.93 H new ATOM 0 HB2 ASP A 89 10.706 -2.370 7.132 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.444 -0.660 7.412 1.00 1.44 H new ATOM 1358 N ASP A 90 6.918 -2.999 6.407 1.00 0.48 N ATOM 1359 CA ASP A 90 6.200 -4.265 6.448 1.00 0.46 C ATOM 1360 C ASP A 90 6.099 -4.862 5.056 1.00 0.45 C ATOM 1361 O ASP A 90 6.349 -6.052 4.852 1.00 0.69 O ATOM 1362 CB ASP A 90 4.799 -4.087 7.020 1.00 0.52 C ATOM 1363 CG ASP A 90 4.276 -5.364 7.626 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.540 -5.607 8.821 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.598 -6.124 6.914 1.00 1.09 O ATOM 0 H ASP A 90 6.340 -2.174 6.565 1.00 0.48 H new ATOM 0 HA ASP A 90 6.760 -4.939 7.096 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.813 -3.304 7.778 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.124 -3.756 6.231 1.00 0.52 H new ATOM 1370 N GLY A 91 5.751 -4.013 4.103 1.00 0.36 N ATOM 1371 CA GLY A 91 5.599 -4.458 2.734 1.00 0.36 C ATOM 1372 C GLY A 91 4.252 -5.106 2.499 1.00 0.35 C ATOM 1373 O GLY A 91 3.224 -4.434 2.518 1.00 0.52 O ATOM 0 H GLY A 91 5.570 -3.020 4.253 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.716 -3.609 2.061 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.391 -5.167 2.493 1.00 0.36 H new ATOM 1377 N VAL A 92 4.256 -6.410 2.299 1.00 0.38 N ATOM 1378 CA VAL A 92 3.062 -7.135 1.944 1.00 0.37 C ATOM 1379 C VAL A 92 2.795 -8.280 2.921 1.00 0.36 C ATOM 1380 O VAL A 92 3.524 -9.273 2.951 1.00 0.47 O ATOM 1381 CB VAL A 92 3.221 -7.681 0.518 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.150 -8.694 0.215 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.196 -6.553 -0.499 1.00 1.06 C ATOM 0 H VAL A 92 5.090 -6.992 2.379 1.00 0.38 H new ATOM 0 HA VAL A 92 2.209 -6.458 1.993 1.00 0.37 H new ATOM 0 HB VAL A 92 4.190 -8.176 0.450 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.280 -9.069 -0.800 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.223 -9.522 0.920 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.170 -8.226 0.306 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.310 -6.965 -1.502 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.246 -6.022 -0.431 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.013 -5.861 -0.295 1.00 1.06 H new ATOM 1393 N MET A 93 1.759 -8.122 3.735 1.00 0.29 N ATOM 1394 CA MET A 93 1.299 -9.189 4.621 1.00 0.31 C ATOM 1395 C MET A 93 0.436 -10.185 3.846 1.00 0.31 C ATOM 1396 O MET A 93 0.067 -9.916 2.703 1.00 0.31 O ATOM 1397 CB MET A 93 0.496 -8.595 5.780 1.00 0.36 C ATOM 1398 CG MET A 93 1.355 -7.963 6.859 1.00 0.67 C ATOM 1399 SD MET A 93 2.121 -9.178 7.947 1.00 1.32 S ATOM 1400 CE MET A 93 0.676 -9.810 8.790 1.00 0.65 C ATOM 0 H MET A 93 1.217 -7.260 3.801 1.00 0.29 H new ATOM 0 HA MET A 93 2.168 -9.713 5.020 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.189 -7.844 5.388 1.00 0.36 H new ATOM 0 HB3 MET A 93 -0.114 -9.380 6.227 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.133 -7.361 6.390 1.00 0.67 H new ATOM 0 HG3 MET A 93 0.742 -7.285 7.454 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.690 -10.900 8.769 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.679 -9.467 9.824 1.00 0.65 H new ATOM 0 HE3 MET A 93 -0.223 -9.449 8.291 1.00 0.65 H new ATOM 1410 N PRO A 94 0.111 -11.352 4.436 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.769 -12.343 3.801 1.00 0.42 C ATOM 1412 C PRO A 94 -2.038 -11.722 3.214 1.00 0.39 C ATOM 1413 O PRO A 94 -2.373 -11.953 2.048 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.104 -13.292 4.951 1.00 0.52 C ATOM 1415 CG PRO A 94 0.081 -13.228 5.847 1.00 0.61 C ATOM 1416 CD PRO A 94 0.602 -11.819 5.750 1.00 0.46 C ATOM 0 HA PRO A 94 -0.292 -12.830 2.951 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -2.011 -12.981 5.470 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.275 -14.307 4.591 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.193 -13.472 6.873 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.841 -13.947 5.540 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.226 -11.197 6.562 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.690 -11.790 5.804 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.730 -10.918 4.019 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.935 -10.230 3.577 1.00 0.43 C ATOM 1426 C GLN A 95 -3.649 -9.348 2.365 1.00 0.36 C ATOM 1427 O GLN A 95 -4.472 -9.238 1.457 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.513 -9.377 4.704 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.694 -10.134 6.006 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.643 -9.431 6.963 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.744 -8.203 6.964 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.353 -10.202 7.775 1.00 1.47 N ATOM 0 H GLN A 95 -2.472 -10.728 4.987 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.663 -10.990 3.294 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.856 -8.525 4.877 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.477 -8.977 4.389 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.074 -11.133 5.792 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.724 -10.258 6.488 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.241 -11.215 7.744 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.012 -9.782 8.431 1.00 1.47 H new ATOM 1441 N THR A 96 -2.472 -8.729 2.353 1.00 0.33 N ATOM 1442 CA THR A 96 -2.057 -7.880 1.249 1.00 0.31 C ATOM 1443 C THR A 96 -1.928 -8.691 -0.054 1.00 0.29 C ATOM 1444 O THR A 96 -2.098 -8.157 -1.151 1.00 0.34 O ATOM 1445 CB THR A 96 -0.725 -7.186 1.592 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.845 -6.503 2.850 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.328 -6.193 0.518 1.00 0.46 C ATOM 0 H THR A 96 -1.786 -8.803 3.104 1.00 0.33 H new ATOM 0 HA THR A 96 -2.821 -7.119 1.092 1.00 0.31 H new ATOM 0 HB THR A 96 0.048 -7.952 1.655 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.678 -5.546 2.720 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.616 -5.721 0.790 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.213 -6.713 -0.433 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.101 -5.431 0.424 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.672 -9.991 0.077 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.488 -10.864 -1.071 1.00 0.39 C ATOM 1457 C VAL A 97 -2.811 -11.404 -1.601 1.00 0.34 C ATOM 1458 O VAL A 97 -3.122 -11.235 -2.781 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.571 -12.046 -0.705 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.686 -13.164 -1.717 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.853 -11.573 -0.615 1.00 1.05 C ATOM 0 H VAL A 97 -1.587 -10.463 0.977 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.027 -10.263 -1.855 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.886 -12.438 0.262 1.00 0.60 H new ATOM 0 HG11 VAL A 97 -0.027 -13.983 -1.431 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.715 -13.521 -1.749 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.399 -12.795 -2.701 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.499 -12.412 -0.356 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.161 -11.161 -1.576 1.00 1.05 H new ATOM 0 HG23 VAL A 97 0.933 -10.803 0.152 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.587 -12.050 -0.732 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.850 -12.676 -1.136 1.00 0.40 C ATOM 1473 C GLU A 98 -5.811 -11.644 -1.704 1.00 0.34 C ATOM 1474 O GLU A 98 -6.727 -11.979 -2.454 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.508 -13.375 0.055 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.654 -14.457 0.689 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.393 -15.203 1.784 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -6.180 -16.117 1.465 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -5.176 -14.887 2.974 1.00 1.62 O ATOM 0 H GLU A 98 -3.365 -12.155 0.258 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.622 -13.412 -1.907 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.750 -12.629 0.812 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.450 -13.816 -0.271 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.336 -15.163 -0.078 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.751 -14.009 1.103 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.586 -10.391 -1.352 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.440 -9.311 -1.807 1.00 0.27 C ATOM 1488 C ALA A 99 -6.032 -8.880 -3.205 1.00 0.25 C ATOM 1489 O ALA A 99 -6.870 -8.526 -4.023 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.375 -8.143 -0.837 1.00 0.31 C ATOM 0 H ALA A 99 -4.817 -10.097 -0.751 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.471 -9.663 -1.843 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -7.021 -7.340 -1.191 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.709 -8.469 0.148 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.349 -7.781 -0.771 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.736 -8.944 -3.468 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.173 -8.615 -4.771 1.00 0.24 C ATOM 1498 C ILE A 100 -4.390 -9.762 -5.748 1.00 0.28 C ATOM 1499 O ILE A 100 -4.775 -9.554 -6.897 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.676 -8.303 -4.599 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.474 -6.791 -4.528 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.814 -8.934 -5.686 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.060 -6.378 -4.200 1.00 0.38 C ATOM 0 H ILE A 100 -4.039 -9.228 -2.779 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.674 -7.739 -5.182 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.345 -8.752 -3.663 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.758 -6.351 -5.484 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.146 -6.379 -3.775 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.768 -8.680 -5.514 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.933 -10.017 -5.662 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.123 -8.556 -6.661 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.997 -5.290 -4.168 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.777 -6.787 -3.230 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.383 -6.758 -4.965 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.130 -10.968 -5.275 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.440 -12.185 -6.013 1.00 0.38 C ATOM 1517 C ASN A 101 -5.914 -12.232 -6.406 1.00 0.37 C ATOM 1518 O ASN A 101 -6.257 -12.675 -7.501 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.064 -13.412 -5.177 1.00 0.46 C ATOM 1520 CG ASN A 101 -2.637 -13.863 -5.431 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -2.103 -13.672 -6.523 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.014 -14.466 -4.431 1.00 1.55 N ATOM 0 H ASN A 101 -3.697 -11.134 -4.367 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.854 -12.189 -6.932 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -4.187 -13.180 -4.119 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.748 -14.229 -5.406 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -1.055 -14.792 -4.550 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.493 -14.605 -3.541 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.772 -11.750 -5.515 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.204 -11.672 -5.786 1.00 0.38 C ATOM 1531 C HIS A 102 -8.518 -10.460 -6.652 1.00 0.38 C ATOM 1532 O HIS A 102 -9.510 -10.451 -7.376 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.992 -11.595 -4.475 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.468 -11.792 -4.649 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.101 -13.002 -4.466 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.435 -10.916 -4.993 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.393 -12.861 -4.698 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.626 -11.601 -5.019 1.00 0.77 N ATOM 0 H HIS A 102 -6.500 -11.406 -4.594 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.500 -12.573 -6.323 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.612 -12.350 -3.787 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.816 -10.624 -4.011 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.298 -9.867 -5.209 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.134 -13.644 -4.636 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.537 -11.203 -5.248 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.670 -9.447 -6.582 1.00 0.32 N ATOM 1548 CA ALA A 103 -7.944 -8.196 -7.269 1.00 0.38 C ATOM 1549 C ALA A 103 -7.470 -8.216 -8.716 1.00 0.40 C ATOM 1550 O ALA A 103 -8.268 -8.073 -9.641 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.289 -7.042 -6.538 1.00 0.43 C ATOM 0 H ALA A 103 -6.793 -9.465 -6.061 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.026 -8.066 -7.275 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.502 -6.111 -7.063 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.682 -6.984 -5.523 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.211 -7.199 -6.501 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.176 -8.427 -8.909 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.543 -8.209 -10.187 1.00 0.51 C ATOM 1559 C LYS A 104 -5.990 -9.226 -11.236 1.00 0.50 C ATOM 1560 O LYS A 104 -5.853 -8.998 -12.439 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.041 -8.252 -9.940 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.268 -9.212 -10.804 1.00 1.11 C ATOM 1563 CD LYS A 104 -1.911 -9.433 -10.193 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.002 -8.218 -10.366 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.852 -7.809 -11.792 1.00 2.56 N ATOM 0 H LYS A 104 -5.542 -8.754 -8.180 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.834 -7.243 -10.600 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.637 -7.251 -10.089 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.870 -8.512 -8.895 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -3.802 -10.158 -10.887 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.167 -8.813 -11.813 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.023 -9.654 -9.132 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -1.444 -10.304 -10.653 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.406 -7.383 -9.794 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.019 -8.443 -9.952 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.122 -7.485 -11.960 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.058 -8.620 -12.409 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -1.515 -7.036 -12.003 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.572 -10.326 -10.782 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.980 -11.392 -11.684 1.00 0.61 C ATOM 1581 C ALA A 105 -8.318 -11.092 -12.350 1.00 0.66 C ATOM 1582 O ALA A 105 -8.862 -11.924 -13.078 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.035 -12.722 -10.947 1.00 0.72 C ATOM 0 H ALA A 105 -6.772 -10.503 -9.798 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.231 -11.458 -12.473 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.342 -13.508 -11.637 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.049 -12.956 -10.545 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.753 -12.656 -10.130 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.842 -9.901 -12.108 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.057 -9.454 -12.763 1.00 0.70 C ATOM 1591 C ALA A 106 -9.693 -8.405 -13.799 1.00 0.72 C ATOM 1592 O ALA A 106 -10.563 -7.750 -14.375 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.045 -8.903 -11.749 1.00 0.75 C ATOM 0 H ALA A 106 -8.441 -9.224 -11.459 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.540 -10.297 -13.257 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.948 -8.574 -12.263 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.300 -9.681 -11.029 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.597 -8.058 -11.226 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.379 -8.262 -14.001 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.808 -7.341 -14.980 1.00 0.73 C ATOM 1601 C ASN A 107 -7.893 -5.913 -14.470 1.00 0.67 C ATOM 1602 O ASN A 107 -8.015 -4.957 -15.236 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.494 -7.483 -16.326 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.704 -6.855 -17.464 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -6.474 -6.837 -17.449 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -8.408 -6.337 -18.461 1.00 2.06 N ATOM 0 H ASN A 107 -7.677 -8.790 -13.482 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.757 -7.594 -15.119 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.649 -8.541 -16.539 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.480 -7.020 -16.276 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -7.930 -5.904 -19.252 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -9.427 -6.371 -18.437 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.833 -5.779 -13.156 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.874 -4.476 -12.524 1.00 0.49 C ATOM 1615 C VAL A 108 -6.506 -4.105 -11.963 1.00 0.40 C ATOM 1616 O VAL A 108 -5.733 -4.973 -11.540 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.940 -4.406 -11.396 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.671 -5.728 -11.236 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.316 -3.973 -10.075 1.00 1.08 C ATOM 0 H VAL A 108 -7.755 -6.561 -12.506 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.155 -3.759 -13.296 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.672 -3.654 -11.689 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.409 -5.642 -10.438 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.174 -5.981 -12.169 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.956 -6.511 -10.985 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.086 -3.933 -9.305 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.548 -4.689 -9.783 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.867 -2.987 -10.191 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.187 -2.808 -11.995 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.984 -2.263 -11.379 1.00 0.35 C ATOM 1631 C PRO A 109 -5.082 -2.148 -9.864 1.00 0.30 C ATOM 1632 O PRO A 109 -6.171 -2.047 -9.286 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.870 -0.858 -11.958 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.916 -0.751 -13.009 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.963 -1.770 -12.674 1.00 0.48 C ATOM 0 HA PRO A 109 -4.133 -2.914 -11.580 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.019 -0.106 -11.184 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.878 -0.690 -12.378 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.343 0.252 -13.030 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.494 -0.939 -13.996 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.740 -1.357 -12.030 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.458 -2.152 -13.567 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.928 -2.101 -9.232 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.862 -2.006 -7.782 1.00 0.25 C ATOM 1645 C ILE A 110 -3.037 -0.787 -7.387 1.00 0.23 C ATOM 1646 O ILE A 110 -2.196 -0.310 -8.150 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.283 -3.296 -7.120 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.219 -4.493 -7.315 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -3.037 -3.104 -5.631 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.033 -5.221 -8.623 1.00 0.96 C ATOM 0 H ILE A 110 -3.020 -2.127 -9.697 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.882 -1.898 -7.413 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.333 -3.494 -7.615 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.066 -5.196 -6.496 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -5.251 -4.147 -7.249 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -2.634 -4.024 -5.207 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -2.324 -2.293 -5.482 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.976 -2.857 -5.136 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -4.734 -6.053 -8.679 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -4.217 -4.535 -9.450 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.013 -5.601 -8.686 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.303 -0.274 -6.204 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.645 0.914 -5.707 1.00 0.25 C ATOM 1664 C ILE A 111 -1.903 0.554 -4.456 1.00 0.32 C ATOM 1665 O ILE A 111 -2.238 -0.421 -3.819 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.675 2.005 -5.373 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.517 2.329 -6.591 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.009 3.257 -4.837 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.959 2.515 -6.226 1.00 0.53 C ATOM 0 H ILE A 111 -3.985 -0.672 -5.558 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.966 1.293 -6.471 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.326 1.618 -4.589 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.140 3.235 -7.065 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.426 1.526 -7.322 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.769 4.006 -4.612 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.458 3.015 -3.928 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.321 3.652 -5.585 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.534 2.746 -7.122 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.341 1.599 -5.775 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.051 3.335 -5.514 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.889 1.301 -4.120 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.196 1.095 -2.893 1.00 0.20 C ATOM 1683 C VAL A 112 -0.272 2.328 -2.040 1.00 0.20 C ATOM 1684 O VAL A 112 -0.041 3.438 -2.511 1.00 0.23 O ATOM 1685 CB VAL A 112 1.264 0.779 -3.134 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.711 -0.290 -2.199 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.490 0.339 -4.559 1.00 0.22 C ATOM 0 H VAL A 112 -0.526 2.065 -4.690 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.672 0.253 -2.390 1.00 0.20 H new ATOM 0 HB VAL A 112 1.846 1.684 -2.956 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.763 -0.513 -2.377 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.581 0.048 -1.171 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.117 -1.189 -2.363 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.547 0.117 -4.708 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.900 -0.555 -4.762 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.187 1.136 -5.238 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.571 2.129 -0.787 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.590 3.205 0.149 1.00 0.21 C ATOM 1699 C ALA A 113 0.395 2.892 1.241 1.00 0.21 C ATOM 1700 O ALA A 113 0.050 2.295 2.253 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.984 3.403 0.714 1.00 0.25 C ATOM 0 H ALA A 113 -0.807 1.219 -0.392 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.310 4.135 -0.346 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.974 4.229 1.425 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.676 3.631 -0.097 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.304 2.492 1.220 1.00 0.25 H new ATOM 1707 N ILE A 114 1.626 3.291 1.011 1.00 0.21 N ATOM 1708 CA ILE A 114 2.681 3.131 1.986 1.00 0.24 C ATOM 1709 C ILE A 114 2.411 4.015 3.204 1.00 0.25 C ATOM 1710 O ILE A 114 2.742 5.199 3.206 1.00 0.30 O ATOM 1711 CB ILE A 114 4.044 3.508 1.379 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.203 2.926 -0.032 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.151 3.014 2.281 1.00 0.36 C ATOM 1714 CD1 ILE A 114 4.221 1.414 -0.082 1.00 0.85 C ATOM 0 H ILE A 114 1.924 3.736 0.143 1.00 0.21 H new ATOM 0 HA ILE A 114 2.704 2.085 2.291 1.00 0.24 H new ATOM 0 HB ILE A 114 4.100 4.593 1.297 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.387 3.289 -0.656 1.00 0.32 H new ATOM 0 HG13 ILE A 114 5.129 3.304 -0.466 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.117 3.281 1.851 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.052 3.474 3.264 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.084 1.930 2.379 1.00 0.36 H new ATOM 0 HD11 ILE A 114 4.337 1.085 -1.115 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.054 1.040 0.513 1.00 0.85 H new ATOM 0 HD13 ILE A 114 3.285 1.026 0.320 1.00 0.85 H new ATOM 1726 N ASN A 115 1.794 3.437 4.223 1.00 0.26 N ATOM 1727 CA ASN A 115 1.418 4.181 5.420 1.00 0.31 C ATOM 1728 C ASN A 115 2.532 4.065 6.451 1.00 0.37 C ATOM 1729 O ASN A 115 3.454 3.273 6.266 1.00 0.39 O ATOM 1730 CB ASN A 115 0.092 3.636 5.977 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.437 4.414 7.169 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.222 5.625 7.293 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.118 3.717 8.065 1.00 0.69 N ATOM 0 H ASN A 115 1.541 2.449 4.247 1.00 0.26 H new ATOM 0 HA ASN A 115 1.275 5.234 5.175 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.657 3.649 5.185 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.231 2.595 6.267 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.488 4.178 8.896 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.273 2.719 7.924 1.00 0.69 H new ATOM 1740 N LYS A 116 2.461 4.865 7.518 1.00 0.49 N ATOM 1741 CA LYS A 116 3.499 4.880 8.549 1.00 0.62 C ATOM 1742 C LYS A 116 4.849 5.233 7.928 1.00 0.57 C ATOM 1743 O LYS A 116 5.908 4.864 8.432 1.00 0.67 O ATOM 1744 CB LYS A 116 3.558 3.529 9.271 1.00 0.78 C ATOM 1745 CG LYS A 116 2.308 3.233 10.087 1.00 1.15 C ATOM 1746 CD LYS A 116 2.237 1.780 10.536 1.00 1.50 C ATOM 1747 CE LYS A 116 3.450 1.374 11.364 1.00 2.05 C ATOM 1748 NZ LYS A 116 3.253 0.050 12.013 1.00 2.61 N ATOM 0 H LYS A 116 1.692 5.513 7.690 1.00 0.49 H new ATOM 0 HA LYS A 116 3.253 5.642 9.288 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.701 2.737 8.536 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.427 3.513 9.929 1.00 0.78 H new ATOM 0 HG2 LYS A 116 2.287 3.882 10.962 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.425 3.470 9.493 1.00 1.15 H new ATOM 0 HD2 LYS A 116 1.331 1.626 11.122 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.164 1.134 9.661 1.00 1.50 H new ATOM 0 HE2 LYS A 116 4.332 1.339 10.725 1.00 2.05 H new ATOM 0 HE3 LYS A 116 3.639 2.129 12.127 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 4.098 -0.194 12.568 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 2.426 0.091 12.642 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 3.097 -0.675 11.283 1.00 2.61 H new ATOM 1762 N MET A 117 4.783 5.960 6.820 1.00 0.58 N ATOM 1763 CA MET A 117 5.952 6.355 6.067 1.00 0.69 C ATOM 1764 C MET A 117 6.393 7.771 6.472 1.00 0.81 C ATOM 1765 O MET A 117 7.362 8.326 5.954 1.00 1.03 O ATOM 1766 CB MET A 117 5.613 6.237 4.574 1.00 0.85 C ATOM 1767 CG MET A 117 6.311 7.236 3.688 1.00 0.81 C ATOM 1768 SD MET A 117 8.038 6.804 3.357 1.00 1.37 S ATOM 1769 CE MET A 117 7.843 5.260 2.467 1.00 0.65 C ATOM 0 H MET A 117 3.905 6.292 6.420 1.00 0.58 H new ATOM 0 HA MET A 117 6.799 5.704 6.281 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.867 5.232 4.236 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.536 6.352 4.450 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.774 7.312 2.743 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.272 8.219 4.157 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.637 5.164 1.727 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.898 4.427 3.168 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.876 5.249 1.965 1.00 0.65 H new ATOM 1852 N ASN A 123 12.106 1.585 3.377 1.00 0.59 N ATOM 1853 CA ASN A 123 12.757 1.317 2.094 1.00 0.57 C ATOM 1854 C ASN A 123 11.701 1.026 1.034 1.00 0.46 C ATOM 1855 O ASN A 123 11.390 -0.135 0.759 1.00 0.52 O ATOM 1856 CB ASN A 123 13.727 0.133 2.188 1.00 0.85 C ATOM 1857 CG ASN A 123 14.686 0.084 1.011 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.398 -0.521 -0.021 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.832 0.728 1.157 1.00 1.84 N ATOM 0 HA ASN A 123 13.330 2.202 1.819 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.295 0.204 3.115 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.160 -0.797 2.232 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.514 0.735 0.398 1.00 1.84 H new ATOM 0 HD22 ASN A 123 16.034 1.218 2.028 1.00 1.84 H new ATOM 1866 N PRO A 124 11.098 2.095 0.465 1.00 0.41 N ATOM 1867 CA PRO A 124 10.136 2.005 -0.634 1.00 0.47 C ATOM 1868 C PRO A 124 10.492 0.945 -1.677 1.00 0.42 C ATOM 1869 O PRO A 124 9.744 0.004 -1.853 1.00 0.40 O ATOM 1870 CB PRO A 124 10.167 3.409 -1.266 1.00 0.66 C ATOM 1871 CG PRO A 124 11.073 4.241 -0.410 1.00 0.70 C ATOM 1872 CD PRO A 124 11.255 3.492 0.879 1.00 0.46 C ATOM 0 HA PRO A 124 9.155 1.703 -0.266 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.535 3.365 -2.291 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.166 3.839 -1.304 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.032 4.402 -0.903 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.639 5.224 -0.229 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.235 3.676 1.319 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.512 3.780 1.623 1.00 0.46 H new ATOM 1880 N ASP A 125 11.637 1.102 -2.340 1.00 0.45 N ATOM 1881 CA ASP A 125 12.070 0.192 -3.424 1.00 0.45 C ATOM 1882 C ASP A 125 11.927 -1.279 -3.049 1.00 0.38 C ATOM 1883 O ASP A 125 11.352 -2.051 -3.815 1.00 0.33 O ATOM 1884 CB ASP A 125 13.518 0.497 -3.781 1.00 0.56 C ATOM 1885 CG ASP A 125 14.146 -0.549 -4.683 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.738 -0.657 -5.860 1.00 1.28 O ATOM 1887 OD2 ASP A 125 15.073 -1.244 -4.223 1.00 2.00 O ATOM 0 H ASP A 125 12.295 1.857 -2.149 1.00 0.45 H new ATOM 0 HA ASP A 125 11.419 0.364 -4.281 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.567 1.468 -4.273 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.103 0.575 -2.864 1.00 0.56 H new ATOM 1892 N ARG A 126 12.434 -1.664 -1.883 1.00 0.40 N ATOM 1893 CA ARG A 126 12.276 -3.032 -1.403 1.00 0.40 C ATOM 1894 C ARG A 126 10.807 -3.406 -1.409 1.00 0.34 C ATOM 1895 O ARG A 126 10.396 -4.370 -2.050 1.00 0.32 O ATOM 1896 CB ARG A 126 12.844 -3.172 0.014 1.00 0.47 C ATOM 1897 CG ARG A 126 12.670 -4.557 0.631 1.00 0.58 C ATOM 1898 CD ARG A 126 11.371 -4.646 1.413 1.00 1.25 C ATOM 1899 NE ARG A 126 11.117 -5.978 1.954 1.00 1.38 N ATOM 1900 CZ ARG A 126 10.546 -6.188 3.136 1.00 2.08 C ATOM 1901 NH1 ARG A 126 10.268 -5.158 3.925 1.00 2.99 N ATOM 1902 NH2 ARG A 126 10.266 -7.420 3.540 1.00 2.15 N ATOM 0 H ARG A 126 12.955 -1.052 -1.255 1.00 0.40 H new ATOM 0 HA ARG A 126 12.824 -3.703 -2.064 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.906 -2.929 -0.008 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.362 -2.437 0.659 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.678 -5.312 -0.155 1.00 0.58 H new ATOM 0 HG3 ARG A 126 13.511 -4.774 1.290 1.00 0.58 H new ATOM 0 HD2 ARG A 126 11.397 -3.927 2.232 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.543 -4.360 0.764 1.00 1.25 H new ATOM 0 HE ARG A 126 11.391 -6.788 1.397 1.00 1.38 H new ATOM 0 HH11 ARG A 126 10.492 -4.210 3.624 1.00 2.99 H new ATOM 0 HH12 ARG A 126 9.830 -5.315 4.833 1.00 2.99 H new ATOM 0 HH21 ARG A 126 10.489 -8.216 2.942 1.00 2.15 H new ATOM 0 HH22 ARG A 126 9.828 -7.572 4.449 1.00 2.15 H new ATOM 1916 N VAL A 127 10.028 -2.602 -0.708 1.00 0.34 N ATOM 1917 CA VAL A 127 8.585 -2.808 -0.600 1.00 0.34 C ATOM 1918 C VAL A 127 7.934 -2.839 -1.985 1.00 0.31 C ATOM 1919 O VAL A 127 7.076 -3.670 -2.266 1.00 0.33 O ATOM 1920 CB VAL A 127 7.929 -1.696 0.248 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.420 -1.877 0.317 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.521 -1.673 1.647 1.00 0.40 C ATOM 0 H VAL A 127 10.371 -1.789 -0.197 1.00 0.34 H new ATOM 0 HA VAL A 127 8.428 -3.768 -0.109 1.00 0.34 H new ATOM 0 HB VAL A 127 8.135 -0.741 -0.236 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.985 -1.080 0.920 1.00 0.39 H new ATOM 0 HG12 VAL A 127 6.003 -1.839 -0.689 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.190 -2.841 0.770 1.00 0.39 H new ATOM 0 HG21 VAL A 127 8.047 -0.883 2.230 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.349 -2.634 2.131 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.593 -1.485 1.585 1.00 0.40 H new ATOM 1932 N MET A 128 8.375 -1.943 -2.852 1.00 0.28 N ATOM 1933 CA MET A 128 7.828 -1.825 -4.196 1.00 0.26 C ATOM 1934 C MET A 128 8.161 -3.059 -5.031 1.00 0.25 C ATOM 1935 O MET A 128 7.376 -3.472 -5.888 1.00 0.25 O ATOM 1936 CB MET A 128 8.360 -0.559 -4.876 1.00 0.25 C ATOM 1937 CG MET A 128 8.051 0.722 -4.114 1.00 0.27 C ATOM 1938 SD MET A 128 8.802 2.192 -4.843 1.00 0.30 S ATOM 1939 CE MET A 128 7.801 2.401 -6.311 1.00 0.29 C ATOM 0 H MET A 128 9.120 -1.278 -2.646 1.00 0.28 H new ATOM 0 HA MET A 128 6.743 -1.752 -4.118 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.440 -0.648 -4.996 1.00 0.25 H new ATOM 0 HB3 MET A 128 7.933 -0.488 -5.876 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.970 0.859 -4.072 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.399 0.617 -3.087 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.445 2.627 -7.161 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.248 1.482 -6.508 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.099 3.221 -6.159 1.00 0.29 H new ATOM 1949 N GLN A 129 9.322 -3.656 -4.777 1.00 0.25 N ATOM 1950 CA GLN A 129 9.724 -4.861 -5.489 1.00 0.26 C ATOM 1951 C GLN A 129 8.967 -6.074 -4.972 1.00 0.29 C ATOM 1952 O GLN A 129 8.812 -7.062 -5.688 1.00 0.31 O ATOM 1953 CB GLN A 129 11.232 -5.091 -5.398 1.00 0.29 C ATOM 1954 CG GLN A 129 12.042 -4.107 -6.225 1.00 0.31 C ATOM 1955 CD GLN A 129 13.528 -4.391 -6.182 1.00 0.46 C ATOM 1956 OE1 GLN A 129 13.950 -5.545 -6.110 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.335 -3.346 -6.201 1.00 1.28 N ATOM 0 H GLN A 129 9.997 -3.326 -4.087 1.00 0.25 H new ATOM 0 HA GLN A 129 9.472 -4.718 -6.540 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.541 -5.019 -4.355 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.458 -6.105 -5.728 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.700 -4.140 -7.259 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.859 -3.096 -5.861 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.948 -2.404 -6.261 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.345 -3.481 -6.155 1.00 1.28 H new ATOM 1966 N GLU A 130 8.496 -6.001 -3.733 1.00 0.33 N ATOM 1967 CA GLU A 130 7.599 -7.023 -3.210 1.00 0.38 C ATOM 1968 C GLU A 130 6.324 -7.003 -4.017 1.00 0.33 C ATOM 1969 O GLU A 130 5.772 -8.042 -4.367 1.00 0.36 O ATOM 1970 CB GLU A 130 7.248 -6.767 -1.748 1.00 0.48 C ATOM 1971 CG GLU A 130 8.433 -6.361 -0.915 1.00 0.71 C ATOM 1972 CD GLU A 130 9.432 -7.486 -0.730 1.00 1.18 C ATOM 1973 OE1 GLU A 130 9.134 -8.445 0.008 1.00 1.46 O ATOM 1974 OE2 GLU A 130 10.520 -7.421 -1.340 1.00 2.02 O ATOM 0 H GLU A 130 8.718 -5.252 -3.077 1.00 0.33 H new ATOM 0 HA GLU A 130 8.101 -7.988 -3.281 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.490 -5.985 -1.695 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.806 -7.669 -1.324 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.930 -5.513 -1.387 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.087 -6.024 0.062 1.00 0.71 H new ATOM 1981 N LEU A 131 5.877 -5.801 -4.348 1.00 0.29 N ATOM 1982 CA LEU A 131 4.631 -5.654 -5.078 1.00 0.29 C ATOM 1983 C LEU A 131 4.787 -6.185 -6.472 1.00 0.24 C ATOM 1984 O LEU A 131 3.965 -6.962 -6.952 1.00 0.25 O ATOM 1985 CB LEU A 131 4.168 -4.203 -5.120 1.00 0.32 C ATOM 1986 CG LEU A 131 3.288 -3.805 -3.948 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.143 -4.782 -3.829 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.098 -3.796 -2.677 1.00 1.06 C ATOM 0 H LEU A 131 6.352 -4.926 -4.126 1.00 0.29 H new ATOM 0 HA LEU A 131 3.869 -6.229 -4.552 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.043 -3.553 -5.142 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.621 -4.033 -6.047 1.00 0.32 H new ATOM 0 HG LEU A 131 2.891 -2.804 -4.115 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.509 -4.499 -2.988 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.556 -4.768 -4.747 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.536 -5.785 -3.665 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.460 -3.510 -1.841 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.506 -4.791 -2.498 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.915 -3.081 -2.771 1.00 1.06 H new ATOM 2000 N MET A 132 5.867 -5.801 -7.107 1.00 0.21 N ATOM 2001 CA MET A 132 6.137 -6.250 -8.446 1.00 0.22 C ATOM 2002 C MET A 132 6.569 -7.714 -8.436 1.00 0.26 C ATOM 2003 O MET A 132 6.718 -8.334 -9.487 1.00 0.32 O ATOM 2004 CB MET A 132 7.176 -5.351 -9.094 1.00 0.23 C ATOM 2005 CG MET A 132 8.605 -5.607 -8.650 1.00 0.26 C ATOM 2006 SD MET A 132 9.490 -6.607 -9.844 1.00 0.35 S ATOM 2007 CE MET A 132 8.858 -5.863 -11.342 1.00 0.32 C ATOM 0 H MET A 132 6.573 -5.178 -6.715 1.00 0.21 H new ATOM 0 HA MET A 132 5.227 -6.186 -9.043 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.119 -5.474 -10.176 1.00 0.23 H new ATOM 0 HB3 MET A 132 6.924 -4.313 -8.878 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.122 -4.657 -8.515 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.603 -6.109 -7.683 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.538 -6.073 -12.167 1.00 0.32 H new ATOM 0 HE2 MET A 132 7.875 -6.277 -11.568 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.774 -4.785 -11.206 1.00 0.32 H new ATOM 2017 N GLU A 133 6.731 -8.272 -7.235 1.00 0.27 N ATOM 2018 CA GLU A 133 6.958 -9.696 -7.086 1.00 0.35 C ATOM 2019 C GLU A 133 5.633 -10.418 -7.281 1.00 0.34 C ATOM 2020 O GLU A 133 5.595 -11.563 -7.734 1.00 0.40 O ATOM 2021 CB GLU A 133 7.564 -10.023 -5.716 1.00 0.44 C ATOM 2022 CG GLU A 133 7.889 -11.497 -5.528 1.00 0.67 C ATOM 2023 CD GLU A 133 8.520 -11.798 -4.185 1.00 1.30 C ATOM 2024 OE1 GLU A 133 7.775 -11.948 -3.197 1.00 2.18 O ATOM 2025 OE2 GLU A 133 9.765 -11.895 -4.118 1.00 1.55 O ATOM 0 H GLU A 133 6.708 -7.753 -6.357 1.00 0.27 H new ATOM 0 HA GLU A 133 7.674 -10.030 -7.837 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.475 -9.439 -5.583 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.868 -9.711 -4.937 1.00 0.44 H new ATOM 0 HG2 GLU A 133 6.975 -12.081 -5.632 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.565 -11.818 -6.321 1.00 0.67 H new ATOM 2032 N TYR A 134 4.529 -9.736 -6.955 1.00 0.30 N ATOM 2033 CA TYR A 134 3.209 -10.244 -7.312 1.00 0.34 C ATOM 2034 C TYR A 134 2.814 -9.703 -8.683 1.00 0.36 C ATOM 2035 O TYR A 134 1.660 -9.802 -9.107 1.00 0.44 O ATOM 2036 CB TYR A 134 2.202 -9.871 -6.242 1.00 0.32 C ATOM 2037 CG TYR A 134 2.694 -10.235 -4.869 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.752 -11.560 -4.465 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.157 -9.264 -4.003 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.253 -11.905 -3.226 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.672 -9.596 -2.767 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.717 -10.919 -2.379 1.00 0.57 C ATOM 2043 OH TYR A 134 4.235 -11.259 -1.151 1.00 0.74 O ATOM 0 H TYR A 134 4.526 -8.848 -6.454 1.00 0.30 H new ATOM 0 HA TYR A 134 3.230 -11.332 -7.372 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.003 -8.800 -6.286 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.258 -10.379 -6.437 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.400 -12.334 -5.130 1.00 0.51 H new ATOM 0 HD2 TYR A 134 3.115 -8.226 -4.299 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.282 -12.941 -2.921 1.00 0.61 H new ATOM 0 HE2 TYR A 134 4.038 -8.824 -2.106 1.00 0.49 H new ATOM 0 HH TYR A 134 4.518 -10.448 -0.679 1.00 0.74 H new ATOM 2053 N ASN A 135 3.821 -9.140 -9.362 1.00 0.35 N ATOM 2054 CA ASN A 135 3.686 -8.573 -10.702 1.00 0.38 C ATOM 2055 C ASN A 135 2.837 -7.319 -10.630 1.00 0.42 C ATOM 2056 O ASN A 135 1.996 -7.045 -11.483 1.00 0.59 O ATOM 2057 CB ASN A 135 3.110 -9.603 -11.687 1.00 0.47 C ATOM 2058 CG ASN A 135 3.223 -9.173 -13.141 1.00 1.19 C ATOM 2059 OD1 ASN A 135 2.286 -8.617 -13.719 1.00 1.94 O ATOM 2060 ND2 ASN A 135 4.377 -9.424 -13.739 1.00 1.89 N ATOM 0 H ASN A 135 4.766 -9.066 -8.986 1.00 0.35 H new ATOM 0 HA ASN A 135 4.672 -8.303 -11.081 1.00 0.38 H new ATOM 0 HB2 ASN A 135 3.629 -10.552 -11.555 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.061 -9.778 -11.447 1.00 0.47 H new ATOM 0 HD21 ASN A 135 4.516 -9.155 -14.713 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.128 -9.886 -13.226 1.00 1.89 H new ATOM 2067 N LEU A 136 3.044 -6.578 -9.561 1.00 0.38 N ATOM 2068 CA LEU A 136 2.473 -5.266 -9.426 1.00 0.46 C ATOM 2069 C LEU A 136 3.549 -4.226 -9.625 1.00 0.39 C ATOM 2070 O LEU A 136 4.002 -3.584 -8.679 1.00 0.43 O ATOM 2071 CB LEU A 136 1.810 -5.077 -8.081 1.00 0.62 C ATOM 2072 CG LEU A 136 0.414 -5.665 -7.955 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.483 -7.119 -7.531 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -0.397 -4.846 -6.981 1.00 1.44 C ATOM 0 H LEU A 136 3.612 -6.873 -8.767 1.00 0.38 H new ATOM 0 HA LEU A 136 1.702 -5.152 -10.188 1.00 0.46 H new ATOM 0 HB2 LEU A 136 2.445 -5.524 -7.316 1.00 0.62 H new ATOM 0 HB3 LEU A 136 1.757 -4.009 -7.868 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.078 -5.631 -8.927 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.526 -7.522 -7.446 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.040 -7.689 -8.275 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.985 -7.193 -6.566 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.397 -5.270 -6.893 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.088 -4.856 -6.005 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -0.469 -3.819 -7.340 1.00 1.44 H new ATOM 2086 N VAL A 137 3.986 -4.107 -10.860 1.00 0.33 N ATOM 2087 CA VAL A 137 5.016 -3.152 -11.203 1.00 0.27 C ATOM 2088 C VAL A 137 4.481 -1.745 -11.041 1.00 0.26 C ATOM 2089 O VAL A 137 3.476 -1.382 -11.642 1.00 0.27 O ATOM 2090 CB VAL A 137 5.509 -3.322 -12.649 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.028 -3.224 -12.708 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.996 -4.618 -13.252 1.00 0.49 C ATOM 0 H VAL A 137 3.643 -4.661 -11.645 1.00 0.33 H new ATOM 0 HA VAL A 137 5.855 -3.330 -10.531 1.00 0.27 H new ATOM 0 HB VAL A 137 5.104 -2.510 -13.253 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.361 -3.347 -13.739 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.344 -2.249 -12.338 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.467 -4.007 -12.089 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.360 -4.712 -14.275 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.353 -5.461 -12.661 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.906 -4.612 -13.254 1.00 0.49 H new ATOM 2102 N PRO A 138 5.124 -0.954 -10.187 1.00 0.25 N ATOM 2103 CA PRO A 138 4.783 0.452 -10.001 1.00 0.27 C ATOM 2104 C PRO A 138 4.652 1.207 -11.309 1.00 0.30 C ATOM 2105 O PRO A 138 5.224 0.827 -12.328 1.00 0.29 O ATOM 2106 CB PRO A 138 5.971 1.005 -9.243 1.00 0.30 C ATOM 2107 CG PRO A 138 6.524 -0.147 -8.497 1.00 0.29 C ATOM 2108 CD PRO A 138 6.208 -1.386 -9.295 1.00 0.27 C ATOM 0 HA PRO A 138 3.822 0.556 -9.496 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.711 1.426 -9.923 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.669 1.804 -8.566 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.600 -0.039 -8.364 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.084 -0.208 -7.501 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.075 -1.733 -9.857 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.895 -2.208 -8.652 1.00 0.27 H new ATOM 2116 N GLU A 139 3.930 2.301 -11.246 1.00 0.35 N ATOM 2117 CA GLU A 139 3.751 3.182 -12.391 1.00 0.40 C ATOM 2118 C GLU A 139 4.984 4.048 -12.518 1.00 0.42 C ATOM 2119 O GLU A 139 5.285 4.590 -13.581 1.00 0.50 O ATOM 2120 CB GLU A 139 2.501 4.031 -12.221 1.00 0.47 C ATOM 2121 CG GLU A 139 1.427 3.745 -13.254 1.00 0.80 C ATOM 2122 CD GLU A 139 1.892 4.019 -14.672 1.00 1.49 C ATOM 2123 OE1 GLU A 139 2.495 3.118 -15.289 1.00 2.01 O ATOM 2124 OE2 GLU A 139 1.658 5.138 -15.175 1.00 1.98 O ATOM 0 H GLU A 139 3.447 2.611 -10.403 1.00 0.35 H new ATOM 0 HA GLU A 139 3.621 2.595 -13.300 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.090 3.862 -11.226 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.777 5.084 -12.278 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.118 2.703 -13.172 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.550 4.355 -13.039 1.00 0.80 H new ATOM 2131 N GLU A 140 5.674 4.177 -11.394 1.00 0.42 N ATOM 2132 CA GLU A 140 7.053 4.611 -11.368 1.00 0.44 C ATOM 2133 C GLU A 140 7.841 3.862 -12.410 1.00 0.43 C ATOM 2134 O GLU A 140 8.591 4.434 -13.201 1.00 0.51 O ATOM 2135 CB GLU A 140 7.669 4.228 -10.035 1.00 0.45 C ATOM 2136 CG GLU A 140 7.335 5.096 -8.870 1.00 0.75 C ATOM 2137 CD GLU A 140 5.848 5.344 -8.682 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.062 4.371 -8.773 1.00 1.01 O ATOM 2139 OE2 GLU A 140 5.468 6.504 -8.420 1.00 1.14 O ATOM 0 H GLU A 140 5.285 3.981 -10.472 1.00 0.42 H new ATOM 0 HA GLU A 140 7.078 5.687 -11.541 1.00 0.44 H new ATOM 0 HB2 GLU A 140 7.363 3.209 -9.799 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.753 4.217 -10.151 1.00 0.45 H new ATOM 0 HG2 GLU A 140 7.732 4.638 -7.964 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.839 6.055 -8.990 1.00 0.75 H new ATOM 2146 N TRP A 141 7.647 2.556 -12.380 1.00 0.35 N ATOM 2147 CA TRP A 141 8.503 1.645 -13.091 1.00 0.35 C ATOM 2148 C TRP A 141 7.906 1.284 -14.448 1.00 0.38 C ATOM 2149 O TRP A 141 8.634 1.007 -15.399 1.00 0.45 O ATOM 2150 CB TRP A 141 8.771 0.406 -12.251 1.00 0.32 C ATOM 2151 CG TRP A 141 9.237 0.675 -10.827 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.477 1.885 -10.200 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.487 -0.326 -9.832 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.854 1.672 -8.901 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.870 0.333 -8.649 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.423 -1.719 -9.828 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.178 -0.349 -7.479 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.722 -2.399 -8.659 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.095 -1.712 -7.495 1.00 0.23 C ATOM 0 H TRP A 141 6.893 2.106 -11.862 1.00 0.35 H new ATOM 0 HA TRP A 141 9.458 2.137 -13.276 1.00 0.35 H new ATOM 0 HB2 TRP A 141 7.859 -0.190 -12.211 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.525 -0.198 -12.755 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.381 2.854 -10.666 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.087 2.402 -8.227 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.145 -2.259 -10.721 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.473 0.181 -6.586 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.667 -3.477 -8.644 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.320 -2.269 -6.598 1.00 0.23 H new ATOM 2170 N GLY A 142 6.576 1.285 -14.542 1.00 0.35 N ATOM 2171 CA GLY A 142 5.933 1.123 -15.833 1.00 0.39 C ATOM 2172 C GLY A 142 5.022 -0.079 -15.891 1.00 0.38 C ATOM 2173 O GLY A 142 4.731 -0.596 -16.968 1.00 0.45 O ATOM 0 H GLY A 142 5.939 1.394 -13.753 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.357 2.020 -16.061 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.697 1.030 -16.604 1.00 0.39 H new ATOM 2177 N GLY A 143 4.576 -0.529 -14.732 1.00 0.33 N ATOM 2178 CA GLY A 143 3.677 -1.664 -14.682 1.00 0.34 C ATOM 2179 C GLY A 143 2.223 -1.255 -14.619 1.00 0.37 C ATOM 2180 O GLY A 143 1.694 -0.669 -15.566 1.00 0.50 O ATOM 0 H GLY A 143 4.818 -0.131 -13.825 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.837 -2.288 -15.561 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.917 -2.274 -13.811 1.00 0.34 H new ATOM 2184 N ASP A 144 1.582 -1.552 -13.501 1.00 0.33 N ATOM 2185 CA ASP A 144 0.167 -1.258 -13.333 1.00 0.40 C ATOM 2186 C ASP A 144 -0.185 -1.043 -11.865 1.00 0.30 C ATOM 2187 O ASP A 144 -1.296 -1.359 -11.419 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.702 -2.378 -13.933 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.476 -3.742 -13.289 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.518 -4.414 -13.640 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.304 -4.157 -12.446 1.00 1.30 O ATOM 0 H ASP A 144 2.019 -1.997 -12.694 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.041 -0.332 -13.870 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.752 -2.106 -13.828 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.497 -2.452 -15.001 1.00 0.57 H new ATOM 2196 N THR A 145 0.751 -0.492 -11.107 1.00 0.25 N ATOM 2197 CA THR A 145 0.513 -0.276 -9.687 1.00 0.24 C ATOM 2198 C THR A 145 0.961 1.111 -9.242 1.00 0.24 C ATOM 2199 O THR A 145 2.114 1.491 -9.416 1.00 0.31 O ATOM 2200 CB THR A 145 1.228 -1.356 -8.868 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.881 -2.632 -9.406 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.828 -1.299 -7.401 1.00 0.28 C ATOM 0 H THR A 145 1.666 -0.191 -11.442 1.00 0.25 H new ATOM 0 HA THR A 145 -0.561 -0.342 -9.514 1.00 0.24 H new ATOM 0 HB THR A 145 2.303 -1.188 -8.926 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.089 -2.758 -9.350 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.354 -2.079 -6.850 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.090 -0.324 -6.990 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.247 -1.453 -7.311 1.00 0.28 H new ATOM 2210 N ILE A 146 0.040 1.870 -8.663 1.00 0.26 N ATOM 2211 CA ILE A 146 0.332 3.238 -8.266 1.00 0.27 C ATOM 2212 C ILE A 146 0.802 3.286 -6.814 1.00 0.24 C ATOM 2213 O ILE A 146 0.018 3.072 -5.894 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.899 4.167 -8.433 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.411 4.170 -9.883 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.553 5.582 -8.003 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.255 2.965 -10.251 1.00 1.23 C ATOM 0 H ILE A 146 -0.911 1.562 -8.459 1.00 0.26 H new ATOM 0 HA ILE A 146 1.124 3.596 -8.924 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.694 3.780 -7.795 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.998 5.074 -10.046 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.556 4.219 -10.557 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.426 6.223 -8.125 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.248 5.580 -6.956 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.264 5.960 -8.618 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.574 3.048 -11.290 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.667 2.056 -10.123 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.132 2.924 -9.604 1.00 1.23 H new ATOM 2229 N PHE A 147 2.082 3.564 -6.614 1.00 0.23 N ATOM 2230 CA PHE A 147 2.649 3.644 -5.273 1.00 0.22 C ATOM 2231 C PHE A 147 2.474 5.033 -4.688 1.00 0.24 C ATOM 2232 O PHE A 147 2.689 6.041 -5.363 1.00 0.38 O ATOM 2233 CB PHE A 147 4.129 3.270 -5.294 1.00 0.23 C ATOM 2234 CG PHE A 147 4.342 1.794 -5.240 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.163 1.019 -6.372 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.748 1.183 -4.069 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.382 -0.342 -6.334 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.972 -0.176 -4.027 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.684 -0.953 -5.120 1.00 0.19 C ATOM 0 H PHE A 147 2.750 3.739 -7.365 1.00 0.23 H new ATOM 0 HA PHE A 147 2.113 2.935 -4.642 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.589 3.668 -6.198 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.632 3.738 -4.448 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.849 1.484 -7.294 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.891 1.776 -3.178 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.320 -0.929 -7.238 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.374 -0.629 -3.133 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.691 -2.030 -5.040 1.00 0.19 H new ATOM 2249 N CYS A 148 2.052 5.073 -3.440 1.00 0.25 N ATOM 2250 CA CYS A 148 1.914 6.319 -2.710 1.00 0.28 C ATOM 2251 C CYS A 148 2.572 6.199 -1.348 1.00 0.26 C ATOM 2252 O CYS A 148 2.071 5.501 -0.471 1.00 0.32 O ATOM 2253 CB CYS A 148 0.437 6.669 -2.537 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.461 6.867 -4.095 1.00 1.10 S ATOM 0 H CYS A 148 1.795 4.244 -2.903 1.00 0.25 H new ATOM 0 HA CYS A 148 2.403 7.111 -3.277 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.044 5.887 -1.949 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.358 7.593 -1.964 1.00 0.30 H new ATOM 0 HG CYS A 148 -1.290 5.877 -4.247 1.00 1.10 H new ATOM 2260 N LYS A 149 3.706 6.856 -1.177 1.00 0.37 N ATOM 2261 CA LYS A 149 4.372 6.882 0.116 1.00 0.38 C ATOM 2262 C LYS A 149 3.794 8.002 0.975 1.00 0.39 C ATOM 2263 O LYS A 149 4.314 9.118 1.019 1.00 0.47 O ATOM 2264 CB LYS A 149 5.882 7.040 -0.056 1.00 0.47 C ATOM 2265 CG LYS A 149 6.288 8.227 -0.921 1.00 0.64 C ATOM 2266 CD LYS A 149 7.746 8.610 -0.717 1.00 0.94 C ATOM 2267 CE LYS A 149 8.026 9.017 0.724 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.157 10.140 1.176 1.00 2.44 N ATOM 0 H LYS A 149 4.184 7.377 -1.913 1.00 0.37 H new ATOM 0 HA LYS A 149 4.197 5.933 0.623 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.340 7.147 0.927 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.284 6.128 -0.497 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.120 7.985 -1.970 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.653 9.081 -0.686 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.384 7.769 -0.988 1.00 0.94 H new ATOM 0 HD3 LYS A 149 8.003 9.433 -1.384 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.874 8.158 1.377 1.00 1.57 H new ATOM 0 HE3 LYS A 149 9.072 9.309 0.820 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 7.474 10.470 2.110 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.217 10.922 0.493 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 6.172 9.812 1.241 1.00 2.44 H new ATOM 2282 N LEU A 150 2.717 7.686 1.669 1.00 0.40 N ATOM 2283 CA LEU A 150 1.930 8.694 2.349 1.00 0.45 C ATOM 2284 C LEU A 150 2.174 8.696 3.843 1.00 0.45 C ATOM 2285 O LEU A 150 3.104 8.074 4.358 1.00 0.49 O ATOM 2286 CB LEU A 150 0.442 8.451 2.116 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.110 7.203 2.791 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.501 7.461 3.336 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.124 6.054 1.814 1.00 1.27 C ATOM 0 H LEU A 150 2.367 6.734 1.776 1.00 0.40 H new ATOM 0 HA LEU A 150 2.235 9.656 1.938 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.114 9.318 2.473 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.263 8.377 1.043 1.00 0.60 H new ATOM 0 HG LEU A 150 0.536 6.942 3.629 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -1.878 6.557 3.814 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.461 8.269 4.067 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -2.165 7.743 2.519 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.520 5.165 2.304 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.753 6.309 0.961 1.00 1.27 H new ATOM 0 HD23 LEU A 150 0.891 5.857 1.470 1.00 1.27 H new ATOM 2301 N SER A 151 1.296 9.403 4.524 1.00 0.49 N ATOM 2302 CA SER A 151 1.320 9.512 5.952 1.00 0.55 C ATOM 2303 C SER A 151 -0.041 9.986 6.444 1.00 0.57 C ATOM 2304 O SER A 151 -0.471 11.084 6.116 1.00 0.60 O ATOM 2305 CB SER A 151 2.415 10.494 6.345 1.00 0.66 C ATOM 2306 OG SER A 151 2.379 11.631 5.499 1.00 1.79 O ATOM 0 H SER A 151 0.536 9.923 4.085 1.00 0.49 H new ATOM 0 HA SER A 151 1.530 8.545 6.409 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.284 10.800 7.383 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.389 10.011 6.275 1.00 0.66 H new ATOM 0 HG SER A 151 2.507 12.442 6.035 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.729 9.153 7.210 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.043 9.513 7.741 1.00 0.70 C ATOM 2314 C ALA A 152 -1.916 10.524 8.880 1.00 0.74 C ATOM 2315 O ALA A 152 -2.911 10.959 9.460 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.769 8.269 8.217 1.00 0.86 C ATOM 0 H ALA A 152 -0.404 8.225 7.480 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.621 9.978 6.942 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.747 8.547 8.611 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -2.896 7.580 7.382 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.186 7.785 9.001 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.682 10.881 9.199 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.403 11.859 10.227 1.00 0.93 C ATOM 2324 C LYS A 153 -0.512 13.254 9.647 1.00 0.86 C ATOM 2325 O LYS A 153 -1.270 14.098 10.125 1.00 0.96 O ATOM 2326 CB LYS A 153 1.005 11.662 10.752 1.00 1.13 C ATOM 2327 CG LYS A 153 1.423 10.211 10.925 1.00 1.19 C ATOM 2328 CD LYS A 153 0.622 9.498 12.002 1.00 1.68 C ATOM 2329 CE LYS A 153 1.144 8.088 12.228 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.586 8.086 12.598 1.00 3.03 N ATOM 0 H LYS A 153 0.151 10.499 8.750 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.122 11.735 11.036 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.703 12.148 10.070 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.094 12.168 11.713 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.300 9.686 9.978 1.00 1.19 H new ATOM 0 HG3 LYS A 153 2.483 10.169 11.177 1.00 1.19 H new ATOM 0 HD2 LYS A 153 0.675 10.062 12.933 1.00 1.68 H new ATOM 0 HD3 LYS A 153 -0.428 9.458 11.713 1.00 1.68 H new ATOM 0 HE2 LYS A 153 0.565 7.608 13.017 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.000 7.497 11.323 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 2.827 7.181 13.049 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.164 8.212 11.743 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 2.775 8.865 13.261 1.00 3.03 H new ATOM 2344 N THR A 154 0.250 13.470 8.592 1.00 0.78 N ATOM 2345 CA THR A 154 0.354 14.772 7.961 1.00 0.81 C ATOM 2346 C THR A 154 -0.543 14.867 6.728 1.00 0.73 C ATOM 2347 O THR A 154 -0.877 15.961 6.271 1.00 0.82 O ATOM 2348 CB THR A 154 1.812 15.033 7.554 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.292 13.905 6.829 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.694 15.253 8.772 1.00 1.20 C ATOM 0 H THR A 154 0.815 12.747 8.148 1.00 0.78 H new ATOM 0 HA THR A 154 0.026 15.523 8.680 1.00 0.81 H new ATOM 0 HB THR A 154 1.847 15.933 6.940 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.245 14.024 6.632 1.00 1.19 H new ATOM 0 HG21 THR A 154 3.719 15.435 8.451 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.331 16.114 9.333 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.665 14.368 9.407 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.907 13.698 6.194 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.816 13.573 5.051 1.00 0.67 C ATOM 2360 C LYS A 155 -1.156 13.999 3.742 1.00 0.66 C ATOM 2361 O LYS A 155 -1.839 14.229 2.746 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.113 14.351 5.290 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.926 13.800 6.450 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.147 14.646 6.757 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.259 14.434 5.740 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.042 15.187 4.467 1.00 2.27 N ATOM 0 H LYS A 155 -0.575 12.801 6.547 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.065 12.516 4.956 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.873 15.396 5.485 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -3.718 14.326 4.384 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.242 12.783 6.217 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.295 13.743 7.337 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.516 14.402 7.753 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.864 15.699 6.771 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.340 13.370 5.516 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -7.208 14.741 6.179 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -6.961 15.449 4.057 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.492 16.048 4.662 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.521 14.589 3.794 1.00 2.27 H new ATOM 2380 N GLU A 156 0.175 14.049 3.741 1.00 0.62 N ATOM 2381 CA GLU A 156 0.944 14.418 2.551 1.00 0.66 C ATOM 2382 C GLU A 156 0.565 13.534 1.368 1.00 0.59 C ATOM 2383 O GLU A 156 -0.074 13.971 0.408 1.00 0.58 O ATOM 2384 CB GLU A 156 2.441 14.257 2.815 1.00 0.75 C ATOM 2385 CG GLU A 156 2.958 15.049 4.000 1.00 1.13 C ATOM 2386 CD GLU A 156 4.331 14.586 4.433 1.00 1.78 C ATOM 2387 OE1 GLU A 156 5.340 15.101 3.910 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.407 13.693 5.301 1.00 2.64 O ATOM 0 H GLU A 156 0.748 13.837 4.558 1.00 0.62 H new ATOM 0 HA GLU A 156 0.716 15.458 2.318 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.657 13.201 2.977 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.989 14.561 1.923 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.997 16.107 3.740 1.00 1.13 H new ATOM 0 HG3 GLU A 156 2.262 14.951 4.833 1.00 1.13 H new ATOM 2395 N GLY A 157 0.968 12.278 1.454 1.00 0.62 N ATOM 2396 CA GLY A 157 0.688 11.333 0.407 1.00 0.61 C ATOM 2397 C GLY A 157 -0.751 10.861 0.407 1.00 0.48 C ATOM 2398 O GLY A 157 -1.172 10.155 -0.502 1.00 0.46 O ATOM 0 H GLY A 157 1.490 11.896 2.243 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.915 11.789 -0.557 1.00 0.61 H new ATOM 0 HA3 GLY A 157 1.347 10.472 0.516 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.506 11.243 1.432 1.00 0.48 N ATOM 2403 CA LEU A 158 -2.894 10.817 1.554 1.00 0.50 C ATOM 2404 C LEU A 158 -3.744 11.542 0.521 1.00 0.46 C ATOM 2405 O LEU A 158 -4.484 10.921 -0.243 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.415 11.095 2.965 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.297 9.999 3.572 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.787 10.419 4.942 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -5.475 9.675 2.662 1.00 1.27 C ATOM 0 H LEU A 158 -1.180 11.845 2.188 1.00 0.48 H new ATOM 0 HA LEU A 158 -2.954 9.744 1.374 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -2.561 11.256 3.623 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -3.983 12.025 2.947 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.694 9.097 3.675 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.413 9.631 5.362 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -3.933 10.592 5.597 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -5.369 11.337 4.855 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -6.083 8.894 3.118 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -6.081 10.570 2.519 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -5.105 9.329 1.697 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.619 12.859 0.487 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.293 13.655 -0.527 1.00 0.57 C ATOM 2423 C ASP A 159 -3.697 13.345 -1.894 1.00 0.50 C ATOM 2424 O ASP A 159 -4.384 13.389 -2.915 1.00 0.52 O ATOM 2425 CB ASP A 159 -4.173 15.150 -0.207 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.965 15.549 1.026 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.580 15.147 2.150 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -5.966 16.279 0.879 1.00 1.58 O ATOM 0 H ASP A 159 -3.059 13.398 1.147 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.353 13.400 -0.536 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.123 15.403 -0.057 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -4.522 15.730 -1.062 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.411 13.001 -1.892 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.722 12.573 -3.106 1.00 0.46 C ATOM 2435 C HIS A 160 -2.279 11.239 -3.608 1.00 0.41 C ATOM 2436 O HIS A 160 -2.199 10.927 -4.791 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.214 12.462 -2.847 1.00 0.50 C ATOM 2438 CG HIS A 160 0.583 11.951 -4.014 1.00 0.56 C ATOM 2439 ND1 HIS A 160 0.793 12.683 -5.161 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.223 10.770 -4.202 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.529 11.981 -6.002 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.802 10.819 -5.445 1.00 0.67 N ATOM 0 H HIS A 160 -1.823 13.011 -1.058 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.891 13.322 -3.880 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.167 13.444 -2.565 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.052 11.801 -1.995 1.00 0.50 H new ATOM 0 HD1 HIS A 160 0.435 13.622 -5.334 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.268 9.946 -3.505 1.00 0.59 H new ATOM 0 HE1 HIS A 160 1.852 12.304 -6.980 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.836 10.448 -2.703 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.445 9.177 -3.075 1.00 0.39 C ATOM 2453 C LEU A 161 -4.687 9.422 -3.920 1.00 0.39 C ATOM 2454 O LEU A 161 -4.862 8.823 -4.979 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.805 8.372 -1.822 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.561 7.068 -2.077 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.738 6.139 -2.951 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.915 6.398 -0.759 1.00 0.88 C ATOM 0 H LEU A 161 -2.880 10.662 -1.707 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.728 8.602 -3.661 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.886 8.140 -1.283 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.409 9.001 -1.168 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.487 7.298 -2.604 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.291 5.216 -3.122 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.535 6.623 -3.906 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.796 5.910 -2.453 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.453 5.471 -0.955 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.002 6.178 -0.206 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.544 7.065 -0.169 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.527 10.333 -3.448 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.772 10.679 -4.125 1.00 0.44 C ATOM 2472 C LEU A 162 -6.511 11.180 -5.541 1.00 0.45 C ATOM 2473 O LEU A 162 -7.257 10.856 -6.468 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.499 11.758 -3.325 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.673 11.459 -1.834 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.223 12.676 -1.108 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.585 10.261 -1.630 1.00 1.06 C ATOM 0 H LEU A 162 -5.366 10.853 -2.586 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.388 9.783 -4.191 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.953 12.695 -3.430 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.484 11.912 -3.765 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.695 11.220 -1.416 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.340 12.446 -0.049 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.532 13.511 -1.223 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.191 12.945 -1.530 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -8.695 10.065 -0.563 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.563 10.470 -2.064 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.152 9.387 -2.116 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.442 11.957 -5.712 1.00 0.46 N ATOM 2490 CA GLU A 163 -5.125 12.522 -7.022 1.00 0.52 C ATOM 2491 C GLU A 163 -4.620 11.426 -7.959 1.00 0.51 C ATOM 2492 O GLU A 163 -4.860 11.473 -9.161 1.00 0.56 O ATOM 2493 CB GLU A 163 -4.098 13.662 -6.913 1.00 0.62 C ATOM 2494 CG GLU A 163 -2.683 13.202 -6.618 1.00 1.06 C ATOM 2495 CD GLU A 163 -1.679 14.334 -6.618 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -1.487 14.966 -7.678 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -1.061 14.584 -5.562 1.00 2.49 O ATOM 0 H GLU A 163 -4.788 12.207 -4.970 1.00 0.46 H new ATOM 0 HA GLU A 163 -6.039 12.947 -7.436 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -4.097 14.225 -7.846 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -4.416 14.348 -6.127 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -2.663 12.707 -5.647 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.386 12.461 -7.360 1.00 1.06 H new ATOM 2504 N MET A 164 -3.937 10.431 -7.401 1.00 0.49 N ATOM 2505 CA MET A 164 -3.460 9.298 -8.189 1.00 0.52 C ATOM 2506 C MET A 164 -4.638 8.442 -8.631 1.00 0.51 C ATOM 2507 O MET A 164 -4.673 7.931 -9.750 1.00 0.57 O ATOM 2508 CB MET A 164 -2.477 8.442 -7.382 1.00 0.53 C ATOM 2509 CG MET A 164 -1.181 9.142 -6.985 1.00 0.68 C ATOM 2510 SD MET A 164 -0.119 9.560 -8.386 1.00 0.87 S ATOM 2511 CE MET A 164 -0.851 11.097 -8.942 1.00 0.67 C ATOM 0 H MET A 164 -3.702 10.386 -6.410 1.00 0.49 H new ATOM 0 HA MET A 164 -2.941 9.688 -9.065 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.978 8.098 -6.477 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.228 7.555 -7.965 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.424 10.054 -6.440 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.627 8.500 -6.300 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.355 11.427 -9.855 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.912 10.944 -9.140 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.732 11.857 -8.170 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.603 8.307 -7.732 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.820 7.567 -7.980 1.00 0.51 C ATOM 2523 C ILE A 165 -7.550 8.103 -9.213 1.00 0.58 C ATOM 2524 O ILE A 165 -7.841 7.351 -10.149 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.724 7.660 -6.731 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.152 6.810 -5.596 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.146 7.250 -7.041 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.900 6.962 -4.290 1.00 0.50 C ATOM 0 H ILE A 165 -5.556 8.716 -6.799 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.571 6.524 -8.177 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.746 8.702 -6.412 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.168 5.762 -5.895 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.108 7.081 -5.441 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.752 7.328 -6.138 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.554 7.906 -7.810 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.158 6.220 -7.398 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.439 6.330 -3.531 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.862 8.003 -3.968 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.939 6.663 -4.429 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.817 9.404 -9.228 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.524 10.010 -10.341 1.00 0.72 C ATOM 2542 C LEU A 166 -7.649 10.083 -11.584 1.00 0.72 C ATOM 2543 O LEU A 166 -8.142 9.954 -12.702 1.00 0.81 O ATOM 2544 CB LEU A 166 -9.032 11.402 -9.978 1.00 0.82 C ATOM 2545 CG LEU A 166 -8.035 12.357 -9.310 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.278 13.168 -10.355 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.762 13.280 -8.347 1.00 1.48 C ATOM 0 H LEU A 166 -7.555 10.053 -8.486 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.380 9.373 -10.562 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.397 11.877 -10.889 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.888 11.287 -9.313 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.311 11.764 -8.751 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.577 13.838 -9.858 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -6.730 12.493 -11.013 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -7.985 13.754 -10.943 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -8.045 13.954 -7.878 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.505 13.862 -8.892 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.258 12.687 -7.579 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.357 10.293 -11.373 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.387 10.358 -12.462 1.00 0.79 C ATOM 2561 C LEU A 167 -5.487 9.122 -13.348 1.00 0.87 C ATOM 2562 O LEU A 167 -5.269 9.191 -14.554 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.965 10.461 -11.906 1.00 0.84 C ATOM 2564 CG LEU A 167 -2.906 10.915 -12.911 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.043 12.402 -13.182 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.510 10.579 -12.413 1.00 1.41 C ATOM 0 H LEU A 167 -5.951 10.423 -10.446 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.611 11.244 -13.056 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.969 11.157 -11.067 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.675 9.487 -11.511 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.063 10.379 -13.847 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.283 12.713 -13.899 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.033 12.608 -13.590 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -2.912 12.955 -12.252 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.773 10.911 -13.144 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.331 11.083 -11.463 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.423 9.501 -12.274 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.850 7.999 -12.742 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.954 6.746 -13.452 1.00 0.96 C ATOM 2580 C VAL A 168 -7.243 6.704 -14.263 1.00 1.01 C ATOM 2581 O VAL A 168 -7.270 6.203 -15.390 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.891 5.561 -12.471 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.286 4.274 -13.157 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.494 5.441 -11.893 1.00 1.14 C ATOM 0 H VAL A 168 -6.078 7.938 -11.750 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.111 6.665 -14.138 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.597 5.745 -11.661 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.234 3.451 -12.444 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.304 4.362 -13.536 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.605 4.080 -13.986 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.458 4.600 -11.200 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.779 5.277 -12.700 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.239 6.359 -11.363 1.00 1.14 H new