USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=22 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 31 SER OG : rot -95:sc= 1 USER MOD Set 1.2: A 155 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.528) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -1.79! C(o=-1.6!,f=-6.7!) USER MOD Set 2.2: A 96 THR OG1 : rot -100:sc= 0.168 USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.14 X(o=-2.5,f=-3) USER MOD Set 3.2: A 93 MET CE :methyl -118:sc= -0.835 (180deg=-3.23!) USER MOD Set 3.3: A 95 GLN : amide:sc= -0.551 X(o=-2.5,f=-2) 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+ 177:sc= 0 (180deg=-0.00591) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0057) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 49 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.52) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.21) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -117:sc= 0.327 (180deg=-0.0235) USER MOD Single : A 107 ASN : amide:sc= 0.151 X(o=0.15,f=-0.017) USER MOD Single : A 115 ASN : amide:sc= 0.613 K(o=0.61,f=-6.1!) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 0.177 (180deg=0.00855) USER MOD Single : A 117 MET CE :methyl -126:sc= -1.02 (180deg=-2.73!) USER MOD Single : A 123 ASN : amide:sc= 0.736 K(o=0.74,f=-5.2!) USER MOD Single : A 128 MET CE :methyl -142:sc= -1.85 (180deg=-3.7!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 132 MET CE :methyl 155:sc= -2.11! (180deg=-4.87!) USER MOD Single : A 134 TYR OH : rot 165:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 THR OG1 : rot -50:sc= -2.86! USER MOD Single : A 148 CYS SG : rot -150:sc= -2.23! USER MOD Single : A 149 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0683) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 152:sc= 1.25 USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl 146:sc= -1.38 (180deg=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.886 3.106 -5.619 1.00 0.67 N ATOM 156 CA VAL A 11 -12.551 2.915 -5.065 1.00 0.60 C ATOM 157 C VAL A 11 -12.598 2.071 -3.788 1.00 0.56 C ATOM 158 O VAL A 11 -13.102 2.513 -2.755 1.00 0.74 O ATOM 159 CB VAL A 11 -11.884 4.274 -4.765 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.414 4.093 -4.445 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.052 5.224 -5.938 1.00 0.98 C ATOM 0 HA VAL A 11 -11.959 2.385 -5.811 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.377 4.706 -3.894 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -9.965 5.064 -4.237 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.308 3.450 -3.572 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.910 3.635 -5.296 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.575 6.176 -5.706 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.589 4.792 -6.825 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.113 5.386 -6.126 1.00 0.98 H new ATOM 171 N THR A 12 -12.066 0.861 -3.867 1.00 0.46 N ATOM 172 CA THR A 12 -12.066 -0.062 -2.739 1.00 0.45 C ATOM 173 C THR A 12 -10.723 -0.023 -2.004 1.00 0.39 C ATOM 174 O THR A 12 -9.664 0.095 -2.625 1.00 0.43 O ATOM 175 CB THR A 12 -12.355 -1.499 -3.220 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.561 -1.514 -3.994 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.496 -2.461 -2.047 1.00 0.62 C ATOM 0 H THR A 12 -11.624 0.491 -4.709 1.00 0.46 H new ATOM 0 HA THR A 12 -12.851 0.248 -2.049 1.00 0.45 H new ATOM 0 HB THR A 12 -11.513 -1.825 -3.831 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.742 -2.427 -4.300 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.699 -3.464 -2.422 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.571 -2.469 -1.470 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.319 -2.139 -1.409 1.00 0.62 H new ATOM 185 N ILE A 13 -10.769 -0.108 -0.681 1.00 0.39 N ATOM 186 CA ILE A 13 -9.556 -0.097 0.121 1.00 0.38 C ATOM 187 C ILE A 13 -9.124 -1.523 0.458 1.00 0.37 C ATOM 188 O ILE A 13 -9.913 -2.321 0.962 1.00 0.51 O ATOM 189 CB ILE A 13 -9.744 0.713 1.425 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.139 2.160 1.100 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.471 0.683 2.267 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.323 3.030 2.328 1.00 1.03 C ATOM 0 H ILE A 13 -11.632 -0.185 -0.143 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.778 0.385 -0.471 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.546 0.254 2.003 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.373 2.602 0.463 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.066 2.155 0.527 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.625 1.259 3.180 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.230 -0.348 2.525 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.648 1.117 1.699 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.601 4.038 2.021 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.110 2.612 2.956 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.390 3.066 2.891 1.00 1.03 H new ATOM 204 N MET A 14 -7.872 -1.834 0.163 1.00 0.31 N ATOM 205 CA MET A 14 -7.319 -3.163 0.416 1.00 0.35 C ATOM 206 C MET A 14 -5.952 -3.082 1.078 1.00 0.29 C ATOM 207 O MET A 14 -5.420 -2.000 1.314 1.00 0.46 O ATOM 208 CB MET A 14 -7.173 -3.953 -0.887 1.00 0.56 C ATOM 209 CG MET A 14 -8.465 -4.533 -1.431 1.00 0.75 C ATOM 210 SD MET A 14 -8.186 -5.487 -2.935 1.00 1.04 S ATOM 211 CE MET A 14 -9.800 -6.213 -3.192 1.00 0.77 C ATOM 0 H MET A 14 -7.211 -1.180 -0.256 1.00 0.31 H new ATOM 0 HA MET A 14 -8.017 -3.669 1.083 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.738 -3.300 -1.644 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.467 -4.767 -0.724 1.00 0.56 H new ATOM 0 HG2 MET A 14 -8.924 -5.171 -0.676 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.168 -3.726 -1.637 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.782 -6.832 -4.089 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.063 -6.828 -2.332 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.540 -5.422 -3.312 1.00 0.77 H new ATOM 221 N GLY A 15 -5.398 -4.245 1.384 1.00 0.34 N ATOM 222 CA GLY A 15 -4.054 -4.337 1.895 1.00 0.45 C ATOM 223 C GLY A 15 -3.987 -5.327 3.029 1.00 0.62 C ATOM 224 O GLY A 15 -3.821 -6.521 2.819 1.00 1.55 O ATOM 0 H GLY A 15 -5.871 -5.143 1.283 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.376 -4.642 1.098 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.722 -3.358 2.239 1.00 0.45 H new ATOM 228 N HIS A 16 -4.149 -4.817 4.223 1.00 0.51 N ATOM 229 CA HIS A 16 -4.205 -5.627 5.421 1.00 0.45 C ATOM 230 C HIS A 16 -4.782 -4.788 6.553 1.00 0.49 C ATOM 231 O HIS A 16 -4.611 -3.568 6.590 1.00 0.64 O ATOM 232 CB HIS A 16 -2.814 -6.165 5.772 1.00 0.43 C ATOM 233 CG HIS A 16 -2.752 -6.893 7.079 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.493 -8.027 7.296 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.052 -6.601 8.201 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.233 -8.401 8.536 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.366 -7.567 9.124 1.00 0.59 N ATOM 0 H HIS A 16 -4.247 -3.817 4.397 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.850 -6.490 5.256 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.485 -6.836 4.979 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.110 -5.333 5.798 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.378 -5.769 8.342 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.664 -9.268 9.014 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -2.007 -7.636 10.076 1.00 0.59 H new ATOM 245 N VAL A 17 -5.472 -5.451 7.470 1.00 0.53 N ATOM 246 CA VAL A 17 -6.282 -4.776 8.476 1.00 0.67 C ATOM 247 C VAL A 17 -5.458 -3.958 9.471 1.00 0.64 C ATOM 248 O VAL A 17 -6.002 -3.093 10.154 1.00 0.78 O ATOM 249 CB VAL A 17 -7.159 -5.778 9.255 1.00 0.87 C ATOM 250 CG1 VAL A 17 -8.167 -6.438 8.328 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.299 -6.829 9.947 1.00 1.62 C ATOM 0 H VAL A 17 -5.487 -6.469 7.538 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.913 -4.084 7.918 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.704 -5.228 10.022 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.777 -7.141 8.895 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.809 -5.676 7.886 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.639 -6.971 7.537 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.940 -7.524 10.490 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -5.721 -7.375 9.201 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -5.620 -6.341 10.646 1.00 1.62 H new ATOM 261 N ASP A 18 -4.159 -4.219 9.549 1.00 0.57 N ATOM 262 CA ASP A 18 -3.304 -3.536 10.520 1.00 0.61 C ATOM 263 C ASP A 18 -2.488 -2.419 9.865 1.00 0.56 C ATOM 264 O ASP A 18 -1.933 -1.560 10.555 1.00 0.69 O ATOM 265 CB ASP A 18 -2.375 -4.543 11.210 1.00 0.69 C ATOM 266 CG ASP A 18 -1.501 -3.906 12.274 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.034 -3.487 13.320 1.00 1.17 O ATOM 268 OD2 ASP A 18 -0.269 -3.826 12.064 1.00 1.78 O ATOM 0 H ASP A 18 -3.674 -4.894 8.957 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.950 -3.077 11.268 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.975 -5.332 11.664 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.740 -5.017 10.461 1.00 0.69 H new ATOM 273 N HIS A 19 -2.452 -2.402 8.535 1.00 0.46 N ATOM 274 CA HIS A 19 -1.658 -1.414 7.813 1.00 0.48 C ATOM 275 C HIS A 19 -2.185 -0.001 8.036 1.00 0.58 C ATOM 276 O HIS A 19 -1.415 0.960 8.066 1.00 0.65 O ATOM 277 CB HIS A 19 -1.602 -1.744 6.323 1.00 0.46 C ATOM 278 CG HIS A 19 -0.573 -2.779 5.987 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.780 -3.709 5.002 1.00 0.60 N ATOM 280 CD2 HIS A 19 0.658 -2.967 6.518 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.324 -4.434 4.952 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.225 -4.021 5.853 1.00 0.48 N ATOM 0 H HIS A 19 -2.960 -3.056 7.940 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.644 -1.454 8.210 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.581 -2.096 5.998 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -1.388 -0.833 5.763 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.108 -2.394 7.315 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.480 -5.257 4.270 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.152 -4.415 6.013 1.00 0.48 H new ATOM 290 N GLY A 20 -3.494 0.132 8.206 1.00 0.76 N ATOM 291 CA GLY A 20 -4.043 1.413 8.592 1.00 0.90 C ATOM 292 C GLY A 20 -5.124 1.922 7.663 1.00 0.81 C ATOM 293 O GLY A 20 -4.987 2.991 7.077 1.00 0.93 O ATOM 0 H GLY A 20 -4.177 -0.616 8.085 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.451 1.334 9.600 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.237 2.146 8.632 1.00 0.90 H new ATOM 297 N LYS A 21 -6.213 1.177 7.543 1.00 0.79 N ATOM 298 CA LYS A 21 -7.348 1.649 6.766 1.00 0.87 C ATOM 299 C LYS A 21 -8.261 2.482 7.655 1.00 0.89 C ATOM 300 O LYS A 21 -9.005 3.343 7.182 1.00 0.93 O ATOM 301 CB LYS A 21 -8.116 0.486 6.117 1.00 1.09 C ATOM 302 CG LYS A 21 -8.717 -0.521 7.088 1.00 1.20 C ATOM 303 CD LYS A 21 -9.429 -1.638 6.333 1.00 1.39 C ATOM 304 CE LYS A 21 -10.075 -2.655 7.266 1.00 1.73 C ATOM 305 NZ LYS A 21 -11.235 -2.097 8.011 1.00 2.11 N ATOM 0 H LYS A 21 -6.334 0.257 7.967 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.976 2.272 5.953 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -8.918 0.899 5.505 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -7.441 -0.042 5.444 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -7.931 -0.942 7.715 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -9.420 -0.018 7.752 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -10.193 -1.206 5.687 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -8.715 -2.147 5.685 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -10.403 -3.517 6.685 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.331 -3.013 7.977 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.667 -2.844 8.591 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.913 -1.323 8.627 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -11.938 -1.733 7.337 1.00 2.11 H new ATOM 319 N THR A 22 -8.161 2.246 8.958 1.00 0.92 N ATOM 320 CA THR A 22 -8.933 2.993 9.935 1.00 1.00 C ATOM 321 C THR A 22 -8.422 4.429 10.046 1.00 0.99 C ATOM 322 O THR A 22 -9.207 5.368 10.167 1.00 1.03 O ATOM 323 CB THR A 22 -8.906 2.296 11.319 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.635 3.060 12.290 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.476 2.087 11.805 1.00 1.65 C ATOM 0 H THR A 22 -7.548 1.538 9.361 1.00 0.92 H new ATOM 0 HA THR A 22 -9.967 3.022 9.592 1.00 1.00 H new ATOM 0 HB THR A 22 -9.381 1.322 11.201 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.606 2.601 13.156 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.491 1.596 12.778 1.00 1.65 H new ATOM 0 HG22 THR A 22 -6.937 1.463 11.092 1.00 1.65 H new ATOM 0 HG23 THR A 22 -6.977 3.052 11.893 1.00 1.65 H new ATOM 333 N THR A 23 -7.108 4.596 9.973 1.00 0.99 N ATOM 334 CA THR A 23 -6.511 5.921 10.021 1.00 1.02 C ATOM 335 C THR A 23 -6.645 6.600 8.657 1.00 0.96 C ATOM 336 O THR A 23 -6.657 7.827 8.555 1.00 0.96 O ATOM 337 CB THR A 23 -5.028 5.862 10.463 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.464 7.176 10.520 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.206 4.997 9.522 1.00 1.41 C ATOM 0 H THR A 23 -6.438 3.832 9.881 1.00 0.99 H new ATOM 0 HA THR A 23 -7.046 6.510 10.766 1.00 1.02 H new ATOM 0 HB THR A 23 -5.002 5.417 11.458 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.527 7.118 10.803 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.170 4.976 9.859 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.607 3.983 9.516 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.251 5.411 8.515 1.00 1.41 H new ATOM 347 N LEU A 24 -6.781 5.783 7.614 1.00 0.96 N ATOM 348 CA LEU A 24 -7.024 6.286 6.272 1.00 0.96 C ATOM 349 C LEU A 24 -8.364 7.000 6.253 1.00 0.89 C ATOM 350 O LEU A 24 -8.473 8.130 5.776 1.00 0.91 O ATOM 351 CB LEU A 24 -6.999 5.124 5.265 1.00 1.06 C ATOM 352 CG LEU A 24 -6.726 5.493 3.797 1.00 0.88 C ATOM 353 CD1 LEU A 24 -7.902 6.237 3.180 1.00 1.78 C ATOM 354 CD2 LEU A 24 -5.454 6.321 3.690 1.00 1.57 C ATOM 0 H LEU A 24 -6.726 4.766 7.678 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.243 6.991 5.986 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -6.238 4.412 5.585 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.958 4.609 5.314 1.00 1.06 H new ATOM 0 HG LEU A 24 -6.593 4.567 3.238 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -7.674 6.482 2.143 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -8.791 5.607 3.217 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -8.084 7.156 3.738 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -5.272 6.575 2.646 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.565 7.236 4.272 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -4.612 5.746 4.075 1.00 1.57 H new ATOM 366 N LEU A 25 -9.378 6.349 6.805 1.00 0.88 N ATOM 367 CA LEU A 25 -10.679 6.969 6.939 1.00 0.91 C ATOM 368 C LEU A 25 -10.622 8.139 7.918 1.00 0.89 C ATOM 369 O LEU A 25 -11.287 9.143 7.720 1.00 0.92 O ATOM 370 CB LEU A 25 -11.725 5.957 7.407 1.00 1.02 C ATOM 371 CG LEU A 25 -12.284 5.037 6.319 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.376 4.145 6.891 1.00 1.76 C ATOM 373 CD2 LEU A 25 -12.821 5.859 5.154 1.00 1.96 C ATOM 0 H LEU A 25 -9.321 5.396 7.164 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.969 7.341 5.956 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.283 5.339 8.189 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -12.554 6.501 7.860 1.00 1.02 H new ATOM 0 HG LEU A 25 -11.478 4.403 5.951 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -13.764 3.496 6.106 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -12.964 3.535 7.695 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -14.183 4.764 7.283 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -13.215 5.191 4.388 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.617 6.515 5.508 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -12.016 6.460 4.731 1.00 1.96 H new ATOM 385 N ASP A 26 -9.825 8.003 8.969 1.00 0.91 N ATOM 386 CA ASP A 26 -9.703 9.057 9.978 1.00 0.96 C ATOM 387 C ASP A 26 -9.307 10.397 9.357 1.00 0.92 C ATOM 388 O ASP A 26 -10.032 11.386 9.485 1.00 0.95 O ATOM 389 CB ASP A 26 -8.699 8.671 11.042 1.00 1.05 C ATOM 390 CG ASP A 26 -8.523 9.757 12.081 1.00 1.21 C ATOM 391 OD1 ASP A 26 -9.353 9.835 13.011 1.00 1.35 O ATOM 392 OD2 ASP A 26 -7.558 10.539 11.975 1.00 1.38 O ATOM 0 H ASP A 26 -9.253 7.178 9.149 1.00 0.91 H new ATOM 0 HA ASP A 26 -10.685 9.172 10.437 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -9.024 7.752 11.530 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -7.738 8.460 10.573 1.00 1.05 H new ATOM 397 N ALA A 27 -8.172 10.422 8.670 1.00 0.89 N ATOM 398 CA ALA A 27 -7.687 11.645 8.038 1.00 0.89 C ATOM 399 C ALA A 27 -8.575 12.056 6.878 1.00 0.85 C ATOM 400 O ALA A 27 -8.641 13.229 6.521 1.00 0.90 O ATOM 401 CB ALA A 27 -6.259 11.463 7.569 1.00 0.91 C ATOM 0 H ALA A 27 -7.569 9.610 8.536 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.717 12.442 8.781 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.910 12.383 7.100 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.623 11.227 8.422 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.214 10.648 6.847 1.00 0.91 H new ATOM 407 N ILE A 28 -9.266 11.092 6.301 1.00 0.82 N ATOM 408 CA ILE A 28 -10.138 11.362 5.178 1.00 0.83 C ATOM 409 C ILE A 28 -11.459 11.968 5.670 1.00 0.88 C ATOM 410 O ILE A 28 -12.139 12.682 4.937 1.00 0.94 O ATOM 411 CB ILE A 28 -10.354 10.078 4.340 1.00 0.86 C ATOM 412 CG1 ILE A 28 -10.364 10.402 2.853 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.631 9.350 4.725 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.996 9.210 1.997 1.00 0.95 C ATOM 0 H ILE A 28 -9.239 10.115 6.593 1.00 0.82 H new ATOM 0 HA ILE A 28 -9.668 12.095 4.522 1.00 0.83 H new ATOM 0 HB ILE A 28 -9.518 9.413 4.556 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -11.354 10.757 2.569 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -9.665 11.215 2.657 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.740 8.456 4.111 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.584 9.064 5.776 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -12.486 10.006 4.565 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -10.019 9.496 0.946 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.994 8.869 2.259 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.710 8.404 2.169 1.00 0.95 H new ATOM 426 N ARG A 29 -11.798 11.703 6.934 1.00 0.93 N ATOM 427 CA ARG A 29 -12.912 12.387 7.590 1.00 1.04 C ATOM 428 C ARG A 29 -12.482 13.792 7.972 1.00 1.08 C ATOM 429 O ARG A 29 -13.292 14.712 8.063 1.00 1.17 O ATOM 430 CB ARG A 29 -13.363 11.647 8.851 1.00 1.16 C ATOM 431 CG ARG A 29 -13.811 10.219 8.617 1.00 1.33 C ATOM 432 CD ARG A 29 -14.274 9.581 9.913 1.00 1.58 C ATOM 433 NE ARG A 29 -14.370 8.128 9.823 1.00 2.13 N ATOM 434 CZ ARG A 29 -13.686 7.293 10.604 1.00 2.85 C ATOM 435 NH1 ARG A 29 -12.804 7.763 11.483 1.00 3.29 N ATOM 436 NH2 ARG A 29 -13.883 5.984 10.509 1.00 3.56 N ATOM 0 H ARG A 29 -11.318 11.021 7.521 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.748 12.416 6.891 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -12.542 11.644 9.568 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.183 12.201 9.308 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.621 10.202 7.888 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -12.990 9.640 8.194 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -13.581 9.846 10.712 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.247 9.989 10.187 1.00 1.58 H new ATOM 0 HE ARG A 29 -14.996 7.729 9.123 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -12.648 8.768 11.562 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -12.284 7.118 12.078 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -14.558 5.617 9.838 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -13.359 5.345 11.107 1.00 3.56 H new ATOM 450 N HIS A 30 -11.179 13.945 8.178 1.00 1.05 N ATOM 451 CA HIS A 30 -10.581 15.239 8.476 1.00 1.13 C ATOM 452 C HIS A 30 -10.513 16.074 7.197 1.00 1.15 C ATOM 453 O HIS A 30 -9.933 17.156 7.165 1.00 1.32 O ATOM 454 CB HIS A 30 -9.191 15.032 9.065 1.00 1.23 C ATOM 455 CG HIS A 30 -8.624 16.210 9.780 1.00 1.70 C ATOM 456 ND1 HIS A 30 -7.350 16.245 10.303 1.00 2.44 N ATOM 457 CD2 HIS A 30 -9.171 17.398 10.053 1.00 2.01 C ATOM 458 CE1 HIS A 30 -7.145 17.419 10.870 1.00 2.88 C ATOM 459 NE2 HIS A 30 -8.239 18.142 10.731 1.00 2.60 N ATOM 0 H HIS A 30 -10.509 13.176 8.143 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.190 15.772 9.206 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.228 14.190 9.757 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.511 14.753 8.260 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -10.168 17.716 9.787 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -6.237 17.734 11.363 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -8.370 19.095 11.071 1.00 2.60 H new ATOM 468 N SER A 31 -11.103 15.544 6.138 1.00 1.07 N ATOM 469 CA SER A 31 -11.188 16.233 4.865 1.00 1.19 C ATOM 470 C SER A 31 -12.512 15.886 4.186 1.00 1.32 C ATOM 471 O SER A 31 -12.577 15.681 2.974 1.00 1.76 O ATOM 472 CB SER A 31 -9.999 15.844 3.984 1.00 1.15 C ATOM 473 OG SER A 31 -8.775 16.155 4.631 1.00 1.50 O ATOM 0 H SER A 31 -11.537 14.621 6.139 1.00 1.07 H new ATOM 0 HA SER A 31 -11.153 17.311 5.025 1.00 1.19 H new ATOM 0 HB2 SER A 31 -10.038 14.778 3.761 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.057 16.371 3.032 1.00 1.15 H new ATOM 0 HG SER A 31 -8.461 17.034 4.332 1.00 1.50 H new ATOM 706 N TYR A 48 -17.149 5.793 2.581 1.00 1.05 N ATOM 707 CA TYR A 48 -17.162 7.212 2.241 1.00 1.04 C ATOM 708 C TYR A 48 -17.497 7.409 0.777 1.00 0.91 C ATOM 709 O TYR A 48 -17.405 6.480 -0.025 1.00 0.86 O ATOM 710 CB TYR A 48 -15.782 7.824 2.513 1.00 1.16 C ATOM 711 CG TYR A 48 -15.779 8.925 3.541 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.633 8.632 4.889 1.00 1.34 C ATOM 713 CD2 TYR A 48 -15.919 10.258 3.166 1.00 1.31 C ATOM 714 CE1 TYR A 48 -15.623 9.626 5.835 1.00 1.77 C ATOM 715 CE2 TYR A 48 -15.907 11.262 4.113 1.00 1.73 C ATOM 716 CZ TYR A 48 -15.764 10.942 5.445 1.00 1.96 C ATOM 717 OH TYR A 48 -15.763 11.940 6.392 1.00 2.54 O ATOM 0 HA TYR A 48 -17.919 7.701 2.854 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -15.107 7.034 2.843 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -15.382 8.216 1.578 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.525 7.603 5.200 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -16.038 10.510 2.122 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -15.505 9.379 6.880 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -16.009 12.294 3.811 1.00 1.73 H new ATOM 0 HH TYR A 48 -15.871 12.809 5.952 1.00 2.54 H new ATOM 727 N GLN A 49 -17.892 8.623 0.447 1.00 1.01 N ATOM 728 CA GLN A 49 -18.063 9.036 -0.931 1.00 1.00 C ATOM 729 C GLN A 49 -17.437 10.409 -1.102 1.00 1.11 C ATOM 730 O GLN A 49 -18.029 11.428 -0.748 1.00 1.34 O ATOM 731 CB GLN A 49 -19.543 9.046 -1.324 1.00 1.16 C ATOM 732 CG GLN A 49 -20.119 7.648 -1.496 1.00 1.18 C ATOM 733 CD GLN A 49 -21.588 7.650 -1.865 1.00 1.42 C ATOM 734 OE1 GLN A 49 -22.343 8.532 -1.469 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.000 6.656 -2.629 1.00 1.96 N ATOM 0 H GLN A 49 -18.104 9.352 1.129 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.567 8.325 -1.592 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.113 9.577 -0.561 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.663 9.600 -2.255 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.557 7.123 -2.269 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.984 7.090 -0.569 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.340 5.942 -2.937 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.979 6.602 -2.911 1.00 1.96 H new ATOM 744 N VAL A 50 -16.216 10.421 -1.612 1.00 1.04 N ATOM 745 CA VAL A 50 -15.441 11.647 -1.703 1.00 1.18 C ATOM 746 C VAL A 50 -15.563 12.260 -3.085 1.00 1.28 C ATOM 747 O VAL A 50 -15.891 11.583 -4.062 1.00 1.38 O ATOM 748 CB VAL A 50 -13.951 11.397 -1.353 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.116 12.669 -1.433 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.849 10.806 0.033 1.00 1.59 C ATOM 0 H VAL A 50 -15.740 9.593 -1.970 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.847 12.349 -0.975 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.553 10.700 -2.090 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.081 12.441 -1.179 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.161 13.071 -2.445 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -13.508 13.406 -0.732 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.801 10.631 0.278 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.280 11.498 0.756 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.392 9.862 0.067 1.00 1.59 H new ATOM 860 N ILE A 57 -15.924 9.179 -5.907 1.00 1.14 N ATOM 861 CA ILE A 57 -15.106 8.209 -5.190 1.00 0.88 C ATOM 862 C ILE A 57 -15.932 7.479 -4.136 1.00 0.85 C ATOM 863 O ILE A 57 -16.050 7.940 -3.002 1.00 0.97 O ATOM 864 CB ILE A 57 -13.886 8.845 -4.483 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.040 9.681 -5.449 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.038 7.746 -3.859 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.829 10.323 -4.793 1.00 0.86 C ATOM 0 HA ILE A 57 -14.742 7.517 -5.949 1.00 0.88 H new ATOM 0 HB ILE A 57 -14.253 9.518 -3.708 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.705 9.046 -6.269 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.664 10.461 -5.884 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.177 8.190 -3.360 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.634 7.195 -3.132 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.694 7.065 -4.638 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.276 10.899 -5.535 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -12.157 10.984 -3.991 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.184 9.547 -4.382 1.00 0.86 H new ATOM 879 N THR A 58 -16.513 6.355 -4.515 1.00 0.80 N ATOM 880 CA THR A 58 -17.213 5.511 -3.562 1.00 0.80 C ATOM 881 C THR A 58 -16.215 4.596 -2.854 1.00 0.73 C ATOM 882 O THR A 58 -15.818 3.567 -3.398 1.00 0.85 O ATOM 883 CB THR A 58 -18.288 4.656 -4.265 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.085 5.485 -5.121 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.188 3.970 -3.246 1.00 1.28 C ATOM 0 H THR A 58 -16.514 6.006 -5.473 1.00 0.80 H new ATOM 0 HA THR A 58 -17.706 6.154 -2.833 1.00 0.80 H new ATOM 0 HB THR A 58 -17.783 3.892 -4.856 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.765 4.937 -5.566 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.938 3.373 -3.766 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.587 3.322 -2.608 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.684 4.723 -2.634 1.00 1.28 H new ATOM 893 N PHE A 59 -15.799 4.991 -1.653 1.00 0.65 N ATOM 894 CA PHE A 59 -14.817 4.228 -0.889 1.00 0.64 C ATOM 895 C PHE A 59 -15.452 3.023 -0.216 1.00 0.73 C ATOM 896 O PHE A 59 -16.475 3.141 0.464 1.00 0.83 O ATOM 897 CB PHE A 59 -14.142 5.095 0.176 1.00 0.64 C ATOM 898 CG PHE A 59 -12.964 5.880 -0.323 1.00 0.60 C ATOM 899 CD1 PHE A 59 -11.868 5.239 -0.870 1.00 0.75 C ATOM 900 CD2 PHE A 59 -12.962 7.265 -0.252 1.00 0.80 C ATOM 901 CE1 PHE A 59 -10.789 5.964 -1.342 1.00 0.79 C ATOM 902 CE2 PHE A 59 -11.885 7.994 -0.719 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.772 7.326 -1.232 1.00 0.70 C ATOM 0 H PHE A 59 -16.128 5.837 -1.188 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.066 3.885 -1.601 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.878 5.787 0.585 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.816 4.455 0.996 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -11.854 4.161 -0.929 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.811 7.779 0.173 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -9.956 5.451 -1.800 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -11.904 9.073 -0.687 1.00 0.84 H new ATOM 0 HZ PHE A 59 -9.900 7.884 -1.541 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.418 0.025 -7.972 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.078 0.516 -7.665 1.00 0.55 C ATOM 1223 C ILE A 81 -9.456 -0.236 -6.500 1.00 0.47 C ATOM 1224 O ILE A 81 -9.959 -0.184 -5.383 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.103 2.022 -7.328 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.524 2.832 -8.553 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.738 2.482 -6.835 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.463 2.865 -9.623 1.00 0.73 C ATOM 0 HA ILE A 81 -9.474 0.350 -8.557 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.830 2.186 -6.533 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.438 2.407 -8.967 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.757 3.852 -8.246 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.775 3.546 -6.602 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.468 1.924 -5.939 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.993 2.306 -7.611 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.817 3.454 -10.469 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.555 3.316 -9.222 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.248 1.849 -9.954 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.358 -0.927 -6.764 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.691 -1.684 -5.743 1.00 0.30 C ATOM 1242 C VAL A 82 -6.652 -0.834 -5.035 1.00 0.25 C ATOM 1243 O VAL A 82 -5.487 -0.806 -5.431 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.004 -2.912 -6.348 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.372 -3.747 -5.260 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -7.993 -3.731 -7.157 1.00 1.19 C ATOM 0 H VAL A 82 -7.917 -0.972 -7.683 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.443 -2.006 -5.023 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.216 -2.576 -7.022 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -5.887 -4.617 -5.704 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.631 -3.151 -4.728 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.141 -4.077 -4.562 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -7.487 -4.599 -7.579 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -8.805 -4.063 -6.510 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.398 -3.120 -7.963 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.066 -0.122 -4.005 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.119 0.619 -3.196 1.00 0.25 C ATOM 1258 C ILE A 83 -5.382 -0.344 -2.305 1.00 0.27 C ATOM 1259 O ILE A 83 -5.914 -0.830 -1.314 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.799 1.684 -2.315 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.571 2.677 -3.170 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.768 2.410 -1.456 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -6.691 3.558 -4.033 1.00 1.32 C ATOM 0 H ILE A 83 -8.039 -0.041 -3.711 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.440 1.135 -3.875 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.504 1.178 -1.655 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.261 2.129 -3.812 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.175 3.309 -2.519 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.269 3.158 -0.841 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.260 1.692 -0.812 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.038 2.900 -2.100 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.315 4.239 -4.613 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.018 4.134 -3.398 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.106 2.936 -4.710 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.163 -0.615 -2.669 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.360 -1.585 -1.964 1.00 0.27 C ATOM 1277 C LEU A 84 -2.553 -0.901 -0.859 1.00 0.27 C ATOM 1278 O LEU A 84 -1.455 -0.401 -1.095 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.448 -2.298 -2.968 1.00 0.35 C ATOM 1280 CG LEU A 84 -1.782 -3.577 -2.470 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.526 -3.257 -1.684 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -2.757 -4.380 -1.624 1.00 1.33 C ATOM 0 H LEU A 84 -3.693 -0.174 -3.460 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.001 -2.326 -1.487 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.034 -2.538 -3.855 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -1.668 -1.603 -3.279 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.495 -4.178 -3.333 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.067 -4.183 -1.338 1.00 1.33 H new ATOM 0 HD12 LEU A 84 0.176 -2.721 -2.322 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -0.782 -2.637 -0.825 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.271 -5.291 -1.274 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.071 -3.784 -0.767 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -3.629 -4.642 -2.223 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.107 -0.873 0.342 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.449 -0.231 1.470 1.00 0.28 C ATOM 1296 C VAL A 85 -1.392 -1.146 2.084 1.00 0.27 C ATOM 1297 O VAL A 85 -1.651 -2.314 2.375 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.464 0.187 2.558 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.762 0.888 3.715 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.545 1.081 1.973 1.00 1.20 C ATOM 0 H VAL A 85 -4.012 -1.288 0.562 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.964 0.666 1.085 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.936 -0.717 2.941 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.497 1.173 4.468 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -2.030 0.213 4.159 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.256 1.780 3.347 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.248 1.363 2.757 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.088 1.978 1.555 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.075 0.544 1.186 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.202 -0.600 2.254 1.00 0.25 N ATOM 1311 CA VAL A 86 0.895 -1.281 2.923 1.00 0.27 C ATOM 1312 C VAL A 86 1.484 -0.335 3.949 1.00 0.24 C ATOM 1313 O VAL A 86 0.869 0.677 4.279 1.00 0.26 O ATOM 1314 CB VAL A 86 2.001 -1.719 1.937 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.510 -2.833 1.033 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.490 -0.542 1.111 1.00 0.95 C ATOM 0 H VAL A 86 0.034 0.338 1.929 1.00 0.25 H new ATOM 0 HA VAL A 86 0.504 -2.184 3.392 1.00 0.27 H new ATOM 0 HB VAL A 86 2.839 -2.097 2.523 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.307 -3.124 0.348 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.221 -3.692 1.638 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.649 -2.485 0.462 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.268 -0.877 0.425 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.659 -0.127 0.542 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.895 0.224 1.773 1.00 0.95 H new ATOM 1326 N ALA A 87 2.663 -0.638 4.461 1.00 0.28 N ATOM 1327 CA ALA A 87 3.301 0.258 5.405 1.00 0.32 C ATOM 1328 C ALA A 87 4.797 0.370 5.157 1.00 0.46 C ATOM 1329 O ALA A 87 5.440 -0.609 4.770 1.00 0.75 O ATOM 1330 CB ALA A 87 3.020 -0.178 6.831 1.00 0.42 C ATOM 0 H ALA A 87 3.190 -1.484 4.243 1.00 0.28 H new ATOM 0 HA ALA A 87 2.874 1.250 5.256 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.508 0.508 7.524 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.945 -0.170 7.009 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.405 -1.186 6.986 1.00 0.42 H new ATOM 1336 N ALA A 88 5.318 1.580 5.371 1.00 0.37 N ATOM 1337 CA ALA A 88 6.732 1.919 5.158 1.00 0.59 C ATOM 1338 C ALA A 88 7.675 0.784 5.547 1.00 0.53 C ATOM 1339 O ALA A 88 8.448 0.296 4.722 1.00 1.14 O ATOM 1340 CB ALA A 88 7.081 3.164 5.957 1.00 1.18 C ATOM 0 H ALA A 88 4.762 2.368 5.703 1.00 0.37 H new ATOM 0 HA ALA A 88 6.864 2.098 4.091 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.130 3.416 5.799 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.455 3.994 5.629 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.908 2.976 7.017 1.00 1.18 H new ATOM 1346 N ASP A 89 7.592 0.366 6.800 1.00 0.56 N ATOM 1347 CA ASP A 89 8.522 -0.609 7.350 1.00 0.93 C ATOM 1348 C ASP A 89 7.884 -1.990 7.467 1.00 0.85 C ATOM 1349 O ASP A 89 8.376 -2.844 8.208 1.00 1.24 O ATOM 1350 CB ASP A 89 9.008 -0.144 8.724 1.00 1.44 C ATOM 1351 CG ASP A 89 7.881 -0.005 9.731 1.00 1.68 C ATOM 1352 OD1 ASP A 89 6.923 0.754 9.464 1.00 1.90 O ATOM 1353 OD2 ASP A 89 7.953 -0.640 10.805 1.00 2.01 O ATOM 0 H ASP A 89 6.885 0.689 7.460 1.00 0.56 H new ATOM 0 HA ASP A 89 9.368 -0.688 6.667 1.00 0.93 H new ATOM 0 HB2 ASP A 89 9.743 -0.854 9.104 1.00 1.44 H new ATOM 0 HB3 ASP A 89 9.516 0.815 8.619 1.00 1.44 H new ATOM 1358 N ASP A 90 6.801 -2.217 6.734 1.00 0.48 N ATOM 1359 CA ASP A 90 6.125 -3.511 6.780 1.00 0.46 C ATOM 1360 C ASP A 90 6.241 -4.225 5.450 1.00 0.45 C ATOM 1361 O ASP A 90 6.661 -5.381 5.380 1.00 0.69 O ATOM 1362 CB ASP A 90 4.642 -3.365 7.124 1.00 0.52 C ATOM 1363 CG ASP A 90 4.103 -4.585 7.831 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.479 -4.813 8.994 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.297 -5.322 7.225 1.00 1.09 O ATOM 0 H ASP A 90 6.375 -1.533 6.108 1.00 0.48 H new ATOM 0 HA ASP A 90 6.615 -4.092 7.561 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.501 -2.488 7.756 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.073 -3.194 6.210 1.00 0.52 H new ATOM 1370 N GLY A 91 5.879 -3.516 4.395 1.00 0.36 N ATOM 1371 CA GLY A 91 5.812 -4.122 3.088 1.00 0.36 C ATOM 1372 C GLY A 91 4.490 -4.820 2.877 1.00 0.35 C ATOM 1373 O GLY A 91 3.441 -4.309 3.272 1.00 0.52 O ATOM 0 H GLY A 91 5.630 -2.527 4.422 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.949 -3.358 2.323 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.626 -4.837 2.974 1.00 0.36 H new ATOM 1377 N VAL A 92 4.549 -5.986 2.273 1.00 0.38 N ATOM 1378 CA VAL A 92 3.375 -6.764 1.958 1.00 0.37 C ATOM 1379 C VAL A 92 3.112 -7.834 3.020 1.00 0.36 C ATOM 1380 O VAL A 92 3.916 -8.746 3.215 1.00 0.47 O ATOM 1381 CB VAL A 92 3.582 -7.425 0.586 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.540 -8.484 0.330 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.566 -6.378 -0.516 1.00 1.06 C ATOM 0 H VAL A 92 5.424 -6.424 1.984 1.00 0.38 H new ATOM 0 HA VAL A 92 2.507 -6.104 1.936 1.00 0.37 H new ATOM 0 HB VAL A 92 4.558 -7.911 0.588 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.711 -8.934 -0.648 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.606 -9.253 1.100 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.548 -8.032 0.352 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.714 -6.863 -1.481 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.606 -5.861 -0.513 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.366 -5.658 -0.345 1.00 1.06 H new ATOM 1393 N MET A 93 1.989 -7.704 3.717 1.00 0.29 N ATOM 1394 CA MET A 93 1.528 -8.746 4.628 1.00 0.31 C ATOM 1395 C MET A 93 0.838 -9.854 3.835 1.00 0.31 C ATOM 1396 O MET A 93 0.550 -9.668 2.652 1.00 0.31 O ATOM 1397 CB MET A 93 0.561 -8.167 5.670 1.00 0.36 C ATOM 1398 CG MET A 93 1.246 -7.396 6.784 1.00 0.67 C ATOM 1399 SD MET A 93 2.172 -8.461 7.908 1.00 1.32 S ATOM 1400 CE MET A 93 0.842 -9.324 8.744 1.00 0.65 C ATOM 0 H MET A 93 1.380 -6.887 3.669 1.00 0.29 H new ATOM 0 HA MET A 93 2.391 -9.158 5.152 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.147 -7.508 5.167 1.00 0.36 H new ATOM 0 HB3 MET A 93 -0.017 -8.981 6.107 1.00 0.36 H new ATOM 0 HG2 MET A 93 1.923 -6.661 6.348 1.00 0.67 H new ATOM 0 HG3 MET A 93 0.497 -6.843 7.350 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.872 -9.095 9.809 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.115 -9.005 8.331 1.00 0.65 H new ATOM 0 HE3 MET A 93 0.959 -10.398 8.601 1.00 0.65 H new ATOM 1410 N PRO A 94 0.576 -11.022 4.448 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.139 -12.120 3.785 1.00 0.42 C ATOM 1412 C PRO A 94 -1.392 -11.657 3.045 1.00 0.39 C ATOM 1413 O PRO A 94 -1.612 -12.026 1.887 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.505 -13.043 4.944 1.00 0.52 C ATOM 1415 CG PRO A 94 0.586 -12.835 5.937 1.00 0.61 C ATOM 1416 CD PRO A 94 0.987 -11.390 5.819 1.00 0.46 C ATOM 0 HA PRO A 94 0.469 -12.593 3.014 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.479 -12.789 5.363 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.558 -14.083 4.623 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.243 -13.063 6.946 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.431 -13.492 5.731 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.487 -10.774 6.566 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.059 -11.259 5.964 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.191 -10.816 3.694 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.441 -10.376 3.117 1.00 0.43 C ATOM 1426 C GLN A 95 -3.197 -9.392 1.981 1.00 0.36 C ATOM 1427 O GLN A 95 -4.039 -9.236 1.099 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.344 -9.751 4.181 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.478 -10.603 5.431 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.817 -10.434 6.128 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.307 -11.350 6.789 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.426 -9.270 5.976 1.00 1.47 N ATOM 0 H GLN A 95 -1.990 -10.431 4.617 1.00 0.40 H new ATOM 0 HA GLN A 95 -3.948 -11.251 2.710 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.947 -8.774 4.456 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.334 -9.584 3.755 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.344 -11.651 5.165 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.679 -10.346 6.126 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.989 -8.534 5.421 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.333 -9.108 6.414 1.00 1.47 H new ATOM 1441 N THR A 96 -2.032 -8.746 1.994 1.00 0.33 N ATOM 1442 CA THR A 96 -1.667 -7.809 0.948 1.00 0.31 C ATOM 1443 C THR A 96 -1.583 -8.520 -0.411 1.00 0.29 C ATOM 1444 O THR A 96 -1.880 -7.938 -1.454 1.00 0.34 O ATOM 1445 CB THR A 96 -0.336 -7.118 1.292 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.409 -6.574 2.618 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.031 -6.006 0.305 1.00 0.46 C ATOM 0 H THR A 96 -1.327 -8.859 2.722 1.00 0.33 H new ATOM 0 HA THR A 96 -2.441 -7.045 0.879 1.00 0.31 H new ATOM 0 HB THR A 96 0.462 -7.858 1.236 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.593 -5.613 2.568 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.915 -5.533 0.570 1.00 0.46 H new ATOM 0 HG22 THR A 96 0.040 -6.421 -0.700 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.829 -5.264 0.335 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.216 -9.799 -0.385 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.124 -10.598 -1.589 1.00 0.39 C ATOM 1457 C VAL A 97 -2.480 -11.148 -1.992 1.00 0.34 C ATOM 1458 O VAL A 97 -2.878 -11.059 -3.152 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.168 -11.773 -1.377 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.116 -12.650 -2.606 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.203 -11.261 -1.029 1.00 1.05 C ATOM 0 H VAL A 97 -0.977 -10.302 0.470 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.751 -9.948 -2.380 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.536 -12.379 -0.549 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.570 -13.479 -2.433 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.112 -13.041 -2.817 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.231 -12.064 -3.457 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.879 -12.103 -0.879 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.575 -10.637 -1.841 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.150 -10.671 -0.114 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.189 -11.701 -1.018 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.457 -12.375 -1.269 1.00 0.40 C ATOM 1473 C GLU A 98 -5.568 -11.371 -1.553 1.00 0.34 C ATOM 1474 O GLU A 98 -6.720 -11.738 -1.767 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.800 -13.257 -0.078 1.00 0.54 C ATOM 1476 CG GLU A 98 -3.698 -14.256 0.218 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.011 -15.174 1.377 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -4.769 -16.148 1.185 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -3.467 -14.952 2.476 1.00 1.62 O ATOM 0 H GLU A 98 -2.905 -11.696 -0.038 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.359 -13.000 -2.157 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -4.970 -12.633 0.799 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.730 -13.790 -0.276 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -3.515 -14.858 -0.672 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -2.776 -13.715 0.432 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.200 -10.104 -1.546 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.089 -9.039 -1.973 1.00 0.27 C ATOM 1488 C ALA A 99 -5.768 -8.692 -3.414 1.00 0.25 C ATOM 1489 O ALA A 99 -6.656 -8.507 -4.233 1.00 0.34 O ATOM 1490 CB ALA A 99 -5.939 -7.818 -1.075 1.00 0.31 C ATOM 0 H ALA A 99 -4.279 -9.784 -1.245 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.124 -9.372 -1.898 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.614 -7.032 -1.413 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.184 -8.089 -0.048 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -4.911 -7.457 -1.120 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.476 -8.657 -3.714 1.00 0.25 N ATOM 1497 CA ILE A 100 -3.991 -8.324 -5.045 1.00 0.24 C ATOM 1498 C ILE A 100 -4.237 -9.463 -6.033 1.00 0.28 C ATOM 1499 O ILE A 100 -4.838 -9.261 -7.085 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.492 -7.992 -4.981 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.303 -6.532 -4.569 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.796 -8.291 -6.296 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.859 -6.086 -4.496 1.00 0.38 C ATOM 0 H ILE A 100 -3.736 -8.859 -3.041 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.543 -7.454 -5.400 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.029 -8.630 -4.229 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.832 -5.895 -5.278 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.768 -6.379 -3.595 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.738 -8.044 -6.212 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.903 -9.350 -6.532 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.246 -7.695 -7.090 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.816 -5.039 -4.197 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.327 -6.694 -3.765 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.392 -6.203 -5.474 1.00 0.38 H new ATOM 1515 N ASN A 101 -3.738 -10.643 -5.697 1.00 0.31 N ATOM 1516 CA ASN A 101 -3.991 -11.856 -6.450 1.00 0.38 C ATOM 1517 C ASN A 101 -5.483 -12.061 -6.674 1.00 0.37 C ATOM 1518 O ASN A 101 -5.905 -12.647 -7.671 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.420 -13.044 -5.680 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.040 -14.179 -6.588 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -3.148 -15.351 -6.227 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.566 -13.836 -7.767 1.00 1.55 N ATOM 0 H ASN A 101 -3.139 -10.784 -4.883 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.511 -11.771 -7.425 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -2.544 -12.723 -5.117 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.155 -13.392 -4.954 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.269 -14.555 -8.426 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -2.495 -12.851 -8.021 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.279 -11.576 -5.732 1.00 0.33 N ATOM 1530 CA HIS A 102 -7.724 -11.673 -5.825 1.00 0.38 C ATOM 1531 C HIS A 102 -8.282 -10.548 -6.688 1.00 0.38 C ATOM 1532 O HIS A 102 -9.315 -10.705 -7.336 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.340 -11.616 -4.423 1.00 0.43 C ATOM 1534 CG HIS A 102 -9.796 -11.967 -4.379 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.258 -13.215 -4.031 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -10.895 -11.222 -4.630 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -11.576 -13.222 -4.071 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -11.990 -12.024 -4.430 1.00 0.77 N ATOM 0 H HIS A 102 -5.943 -11.109 -4.890 1.00 0.33 H new ATOM 0 HA HIS A 102 -7.981 -12.624 -6.291 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -7.793 -12.296 -3.770 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.207 -10.612 -4.020 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -10.909 -10.185 -4.933 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.209 -14.068 -3.847 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -12.963 -11.740 -4.541 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.585 -9.418 -6.705 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.093 -8.222 -7.361 1.00 0.38 C ATOM 1549 C ALA A 103 -7.653 -8.118 -8.811 1.00 0.40 C ATOM 1550 O ALA A 103 -8.479 -8.072 -9.718 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.641 -6.975 -6.617 1.00 0.43 C ATOM 0 H ALA A 103 -6.668 -9.306 -6.272 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.180 -8.300 -7.344 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -8.029 -6.090 -7.121 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.017 -7.005 -5.594 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.552 -6.935 -6.602 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.344 -8.118 -9.023 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.765 -7.678 -10.276 1.00 0.51 C ATOM 1559 C LYS A 104 -6.166 -8.569 -11.455 1.00 0.50 C ATOM 1560 O LYS A 104 -6.140 -8.135 -12.607 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.254 -7.632 -10.097 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.496 -8.735 -10.797 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.107 -8.843 -10.222 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.320 -7.548 -10.404 1.00 1.92 C ATOM 1565 NZ LYS A 104 -1.277 -7.094 -11.821 1.00 2.56 N ATOM 0 H LYS A 104 -5.659 -8.423 -8.331 1.00 0.40 H new ATOM 0 HA LYS A 104 -6.148 -6.688 -10.522 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.889 -6.672 -10.462 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -4.028 -7.675 -9.032 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.023 -9.682 -10.680 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.442 -8.530 -11.866 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.170 -9.085 -9.161 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -1.576 -9.663 -10.705 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.768 -6.767 -9.790 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.302 -7.693 -10.043 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -0.293 -7.097 -12.157 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.846 -7.736 -12.409 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -1.663 -6.130 -11.889 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.576 -9.795 -11.162 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.929 -10.748 -12.206 1.00 0.61 C ATOM 1581 C ALA A 105 -8.305 -10.452 -12.796 1.00 0.66 C ATOM 1582 O ALA A 105 -8.800 -11.193 -13.645 1.00 0.76 O ATOM 1583 CB ALA A 105 -6.875 -12.166 -11.661 1.00 0.72 C ATOM 0 H ALA A 105 -6.672 -10.153 -10.212 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.200 -10.649 -13.010 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.141 -12.869 -12.450 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -5.867 -12.382 -11.307 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.579 -12.265 -10.835 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.916 -9.356 -12.359 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.212 -8.956 -12.872 1.00 0.70 C ATOM 1591 C ALA A 106 -10.027 -7.871 -13.915 1.00 0.72 C ATOM 1592 O ALA A 106 -11.001 -7.327 -14.440 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.118 -8.479 -11.744 1.00 0.75 C ATOM 0 H ALA A 106 -8.531 -8.732 -11.650 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.693 -9.817 -13.337 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.084 -8.184 -12.153 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.259 -9.286 -11.025 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.659 -7.625 -11.245 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.749 -7.559 -14.176 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.347 -6.603 -15.203 1.00 0.73 C ATOM 1601 C ASN A 107 -8.484 -5.200 -14.651 1.00 0.67 C ATOM 1602 O ASN A 107 -9.087 -4.313 -15.257 1.00 0.80 O ATOM 1603 CB ASN A 107 -9.156 -6.791 -16.474 1.00 0.92 C ATOM 1604 CG ASN A 107 -8.491 -6.183 -17.700 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -7.766 -6.860 -18.428 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -8.729 -4.903 -17.930 1.00 2.06 N ATOM 0 H ASN A 107 -7.963 -7.970 -13.672 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.305 -6.775 -15.471 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -9.313 -7.856 -16.644 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -10.140 -6.341 -16.341 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -8.305 -4.442 -18.735 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -9.336 -4.376 -17.302 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.925 -5.031 -13.466 1.00 0.55 N ATOM 1614 CA VAL A 108 -8.017 -3.795 -12.725 1.00 0.49 C ATOM 1615 C VAL A 108 -6.658 -3.404 -12.148 1.00 0.40 C ATOM 1616 O VAL A 108 -5.863 -4.263 -11.755 1.00 0.42 O ATOM 1617 CB VAL A 108 -9.048 -3.925 -11.585 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.188 -5.371 -11.136 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.638 -3.064 -10.414 1.00 1.08 C ATOM 0 H VAL A 108 -7.390 -5.758 -12.990 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.342 -3.015 -13.413 1.00 0.49 H new ATOM 0 HB VAL A 108 -10.013 -3.587 -11.963 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.921 -5.433 -10.332 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.518 -5.982 -11.976 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.225 -5.736 -10.778 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.373 -3.163 -9.615 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.661 -3.384 -10.051 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.584 -2.022 -10.730 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.371 -2.094 -12.129 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.158 -1.546 -11.528 1.00 0.35 C ATOM 1631 C PRO A 109 -5.130 -1.583 -10.001 1.00 0.30 C ATOM 1632 O PRO A 109 -6.164 -1.616 -9.323 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.140 -0.089 -11.988 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.170 0.016 -13.052 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.187 -1.043 -12.750 1.00 0.48 C ATOM 0 HA PRO A 109 -4.298 -2.141 -11.836 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.364 0.584 -11.161 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.157 0.188 -12.368 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.627 1.006 -13.056 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.730 -0.136 -14.037 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.964 -0.680 -12.077 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.686 -1.396 -13.652 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.915 -1.504 -9.477 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.675 -1.576 -8.037 1.00 0.25 C ATOM 1645 C ILE A 110 -2.881 -0.346 -7.578 1.00 0.23 C ATOM 1646 O ILE A 110 -2.059 0.183 -8.333 1.00 0.26 O ATOM 1647 CB ILE A 110 -2.922 -2.885 -7.685 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.880 -4.083 -7.737 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.267 -2.800 -6.314 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -3.169 -5.414 -7.748 1.00 0.96 C ATOM 0 H ILE A 110 -3.068 -1.389 -10.034 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.631 -1.584 -7.514 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.135 -3.023 -8.426 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -4.548 -4.043 -6.877 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.502 -4.004 -8.628 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.748 -3.734 -6.100 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.552 -1.977 -6.303 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -3.031 -2.627 -5.556 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -3.903 -6.219 -7.785 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -2.521 -5.473 -8.623 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -2.568 -5.513 -6.844 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.132 0.127 -6.354 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.508 1.364 -5.878 1.00 0.25 C ATOM 1664 C ILE A 111 -1.908 1.194 -4.511 1.00 0.32 C ATOM 1665 O ILE A 111 -2.614 1.149 -3.520 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.504 2.535 -5.793 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.112 2.842 -7.150 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.839 3.759 -5.197 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.415 2.123 -7.351 1.00 0.53 C ATOM 0 H ILE A 111 -3.755 -0.321 -5.682 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.735 1.590 -6.613 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.319 2.238 -5.133 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.271 3.916 -7.243 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.413 2.555 -7.935 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.559 4.576 -5.145 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.481 3.527 -4.194 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -1.997 4.057 -5.822 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.818 2.369 -8.333 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.251 1.047 -7.284 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.123 2.430 -6.581 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.605 1.157 -4.458 1.00 0.21 N ATOM 1682 CA VAL A 112 0.081 1.011 -3.202 1.00 0.20 C ATOM 1683 C VAL A 112 -0.038 2.269 -2.380 1.00 0.20 C ATOM 1684 O VAL A 112 0.179 3.378 -2.867 1.00 0.23 O ATOM 1685 CB VAL A 112 1.564 0.729 -3.390 1.00 0.20 C ATOM 1686 CG1 VAL A 112 2.023 -0.341 -2.450 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.851 0.312 -4.806 1.00 0.22 C ATOM 0 H VAL A 112 0.006 1.226 -5.272 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.389 0.168 -2.695 1.00 0.20 H new ATOM 0 HB VAL A 112 2.108 1.649 -3.174 1.00 0.20 H new ATOM 0 HG11 VAL A 112 3.086 -0.527 -2.601 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.854 -0.020 -1.422 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.464 -1.257 -2.641 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.917 0.115 -4.918 1.00 0.22 H new ATOM 0 HG22 VAL A 112 1.289 -0.592 -5.040 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.556 1.110 -5.487 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.357 2.076 -1.133 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.400 3.143 -0.187 1.00 0.21 C ATOM 1699 C ALA A 113 0.515 2.771 0.951 1.00 0.21 C ATOM 1700 O ALA A 113 0.107 2.122 1.911 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.820 3.379 0.302 1.00 0.25 C ATOM 0 H ALA A 113 -0.596 1.164 -0.745 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.071 4.075 -0.646 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.826 4.197 1.022 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.458 3.635 -0.544 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.196 2.474 0.779 1.00 0.25 H new ATOM 1707 N ILE A 114 1.763 3.153 0.809 1.00 0.21 N ATOM 1708 CA ILE A 114 2.770 2.875 1.803 1.00 0.24 C ATOM 1709 C ILE A 114 2.537 3.751 3.025 1.00 0.25 C ATOM 1710 O ILE A 114 3.021 4.876 3.087 1.00 0.30 O ATOM 1711 CB ILE A 114 4.175 3.129 1.219 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.362 2.345 -0.084 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.234 2.741 2.219 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.682 2.609 -0.776 1.00 0.85 C ATOM 0 H ILE A 114 2.108 3.667 -0.002 1.00 0.21 H new ATOM 0 HA ILE A 114 2.703 1.828 2.100 1.00 0.24 H new ATOM 0 HB ILE A 114 4.273 4.192 1.001 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.282 1.279 0.130 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.549 2.594 -0.766 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.221 2.925 1.794 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.113 3.334 3.126 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.135 1.683 2.461 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.738 2.018 -1.690 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.758 3.668 -1.024 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.502 2.332 -0.113 1.00 0.85 H new ATOM 1726 N ASN A 115 1.793 3.230 3.990 1.00 0.26 N ATOM 1727 CA ASN A 115 1.329 4.026 5.119 1.00 0.31 C ATOM 1728 C ASN A 115 2.356 3.978 6.235 1.00 0.37 C ATOM 1729 O ASN A 115 3.300 3.190 6.176 1.00 0.39 O ATOM 1730 CB ASN A 115 -0.028 3.502 5.612 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.662 4.390 6.672 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.496 5.613 6.666 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.377 3.776 7.602 1.00 0.69 N ATOM 0 H ASN A 115 1.496 2.254 4.014 1.00 0.26 H new ATOM 0 HA ASN A 115 1.203 5.061 4.802 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.708 3.417 4.764 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.102 2.499 6.018 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.814 4.316 8.349 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.491 2.763 7.572 1.00 0.69 H new ATOM 1740 N LYS A 116 2.179 4.832 7.240 1.00 0.49 N ATOM 1741 CA LYS A 116 3.114 4.935 8.358 1.00 0.62 C ATOM 1742 C LYS A 116 4.473 5.389 7.853 1.00 0.57 C ATOM 1743 O LYS A 116 5.498 5.204 8.509 1.00 0.67 O ATOM 1744 CB LYS A 116 3.221 3.604 9.118 1.00 0.78 C ATOM 1745 CG LYS A 116 1.887 3.092 9.639 1.00 1.15 C ATOM 1746 CD LYS A 116 2.029 1.754 10.350 1.00 1.50 C ATOM 1747 CE LYS A 116 0.669 1.182 10.722 1.00 2.05 C ATOM 1748 NZ LYS A 116 0.778 -0.116 11.436 1.00 2.61 N ATOM 0 H LYS A 116 1.386 5.470 7.303 1.00 0.49 H new ATOM 0 HA LYS A 116 2.736 5.678 9.060 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.657 2.853 8.459 1.00 0.78 H new ATOM 0 HB3 LYS A 116 3.906 3.728 9.957 1.00 0.78 H new ATOM 0 HG2 LYS A 116 1.461 3.824 10.325 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.189 2.989 8.808 1.00 1.15 H new ATOM 0 HD2 LYS A 116 2.558 1.051 9.706 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.632 1.879 11.249 1.00 1.50 H new ATOM 0 HE2 LYS A 116 0.137 1.896 11.351 1.00 2.05 H new ATOM 0 HE3 LYS A 116 0.074 1.048 9.818 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 -0.060 -0.697 11.231 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 1.632 -0.617 11.118 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 0.838 0.055 12.460 1.00 2.61 H new ATOM 1762 N MET A 117 4.463 5.994 6.675 1.00 0.58 N ATOM 1763 CA MET A 117 5.635 6.574 6.106 1.00 0.69 C ATOM 1764 C MET A 117 5.673 8.065 6.462 1.00 0.81 C ATOM 1765 O MET A 117 5.502 8.964 5.633 1.00 1.03 O ATOM 1766 CB MET A 117 5.647 6.355 4.609 1.00 0.85 C ATOM 1767 CG MET A 117 6.701 7.182 3.959 1.00 0.81 C ATOM 1768 SD MET A 117 8.317 6.377 3.868 1.00 1.37 S ATOM 1769 CE MET A 117 7.968 4.998 2.783 1.00 0.65 C ATOM 0 H MET A 117 3.629 6.089 6.096 1.00 0.58 H new ATOM 0 HA MET A 117 6.528 6.098 6.511 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.822 5.301 4.393 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.672 6.608 4.193 1.00 0.85 H new ATOM 0 HG2 MET A 117 6.377 7.438 2.950 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.803 8.118 4.508 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.276 4.070 3.264 1.00 0.65 H new ATOM 0 HE2 MET A 117 6.899 4.961 2.574 1.00 0.65 H new ATOM 0 HE3 MET A 117 8.516 5.122 1.849 1.00 0.65 H new ATOM 1852 N ASN A 123 12.354 1.741 3.187 1.00 0.59 N ATOM 1853 CA ASN A 123 12.998 1.305 1.947 1.00 0.57 C ATOM 1854 C ASN A 123 11.943 0.897 0.920 1.00 0.46 C ATOM 1855 O ASN A 123 11.648 -0.290 0.764 1.00 0.52 O ATOM 1856 CB ASN A 123 13.951 0.127 2.184 1.00 0.85 C ATOM 1857 CG ASN A 123 14.851 -0.137 0.988 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.498 -0.889 0.081 1.00 1.77 O ATOM 1859 ND2 ASN A 123 16.024 0.474 0.979 1.00 1.84 N ATOM 0 HA ASN A 123 13.579 2.147 1.571 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.566 0.331 3.061 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.370 -0.769 2.403 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.669 0.328 0.202 1.00 1.84 H new ATOM 0 HD22 ASN A 123 16.284 1.091 1.749 1.00 1.84 H new ATOM 1866 N PRO A 124 11.315 1.893 0.256 1.00 0.41 N ATOM 1867 CA PRO A 124 10.420 1.697 -0.881 1.00 0.47 C ATOM 1868 C PRO A 124 10.803 0.520 -1.778 1.00 0.42 C ATOM 1869 O PRO A 124 10.037 -0.419 -1.888 1.00 0.40 O ATOM 1870 CB PRO A 124 10.535 3.023 -1.652 1.00 0.66 C ATOM 1871 CG PRO A 124 11.311 3.956 -0.765 1.00 0.70 C ATOM 1872 CD PRO A 124 11.361 3.313 0.590 1.00 0.46 C ATOM 0 HA PRO A 124 9.411 1.454 -0.548 1.00 0.47 H new ATOM 0 HB2 PRO A 124 11.045 2.877 -2.604 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.549 3.429 -1.877 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.316 4.116 -1.156 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.829 4.932 -0.713 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.270 3.575 1.132 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.519 3.612 1.215 1.00 0.46 H new ATOM 1880 N ASP A 125 11.989 0.573 -2.396 1.00 0.45 N ATOM 1881 CA ASP A 125 12.450 -0.464 -3.347 1.00 0.45 C ATOM 1882 C ASP A 125 12.153 -1.871 -2.853 1.00 0.38 C ATOM 1883 O ASP A 125 11.534 -2.656 -3.562 1.00 0.33 O ATOM 1884 CB ASP A 125 13.955 -0.338 -3.571 1.00 0.56 C ATOM 1885 CG ASP A 125 14.361 0.985 -4.182 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.435 1.991 -3.443 1.00 2.00 O ATOM 1887 OD2 ASP A 125 14.591 1.031 -5.406 1.00 1.28 O ATOM 0 H ASP A 125 12.659 1.330 -2.257 1.00 0.45 H new ATOM 0 HA ASP A 125 11.906 -0.302 -4.278 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.469 -0.463 -2.618 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.288 -1.148 -4.221 1.00 0.56 H new ATOM 1892 N ARG A 126 12.597 -2.179 -1.639 1.00 0.40 N ATOM 1893 CA ARG A 126 12.347 -3.483 -1.033 1.00 0.40 C ATOM 1894 C ARG A 126 10.872 -3.838 -1.105 1.00 0.34 C ATOM 1895 O ARG A 126 10.483 -4.857 -1.677 1.00 0.32 O ATOM 1896 CB ARG A 126 12.785 -3.469 0.428 1.00 0.47 C ATOM 1897 CG ARG A 126 12.444 -4.745 1.170 1.00 0.58 C ATOM 1898 CD ARG A 126 13.112 -5.951 0.534 1.00 1.25 C ATOM 1899 NE ARG A 126 12.960 -7.153 1.353 1.00 1.38 N ATOM 1900 CZ ARG A 126 11.930 -7.989 1.257 1.00 2.08 C ATOM 1901 NH1 ARG A 126 10.982 -7.776 0.353 1.00 2.99 N ATOM 1902 NH2 ARG A 126 11.858 -9.054 2.044 1.00 2.15 N ATOM 0 H ARG A 126 13.134 -1.540 -1.053 1.00 0.40 H new ATOM 0 HA ARG A 126 12.919 -4.229 -1.585 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.862 -3.307 0.475 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.313 -2.626 0.933 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.760 -4.659 2.210 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.363 -4.887 1.176 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.682 -6.127 -0.452 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.172 -5.743 0.387 1.00 1.25 H new ATOM 0 HE ARG A 126 13.686 -7.362 2.038 1.00 1.38 H new ATOM 0 HH11 ARG A 126 11.043 -6.970 -0.269 1.00 2.99 H new ATOM 0 HH12 ARG A 126 10.193 -8.418 0.281 1.00 2.99 H new ATOM 0 HH21 ARG A 126 12.594 -9.235 2.726 1.00 2.15 H new ATOM 0 HH22 ARG A 126 11.066 -9.692 1.967 1.00 2.15 H new ATOM 1916 N VAL A 127 10.076 -2.978 -0.503 1.00 0.34 N ATOM 1917 CA VAL A 127 8.622 -3.119 -0.497 1.00 0.34 C ATOM 1918 C VAL A 127 8.082 -3.221 -1.924 1.00 0.31 C ATOM 1919 O VAL A 127 7.307 -4.116 -2.246 1.00 0.33 O ATOM 1920 CB VAL A 127 7.952 -1.918 0.209 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.439 -2.078 0.237 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.502 -1.749 1.618 1.00 0.40 C ATOM 0 H VAL A 127 10.414 -2.157 -0.001 1.00 0.34 H new ATOM 0 HA VAL A 127 8.385 -4.033 0.048 1.00 0.34 H new ATOM 0 HB VAL A 127 8.185 -1.018 -0.360 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.992 -1.220 0.739 1.00 0.39 H new ATOM 0 HG12 VAL A 127 6.061 -2.139 -0.783 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.179 -2.989 0.776 1.00 0.39 H new ATOM 0 HG21 VAL A 127 8.018 -0.899 2.098 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.306 -2.652 2.196 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.577 -1.575 1.571 1.00 0.40 H new ATOM 1932 N MET A 128 8.532 -2.314 -2.778 1.00 0.28 N ATOM 1933 CA MET A 128 8.062 -2.234 -4.154 1.00 0.26 C ATOM 1934 C MET A 128 8.404 -3.500 -4.929 1.00 0.25 C ATOM 1935 O MET A 128 7.665 -3.913 -5.828 1.00 0.25 O ATOM 1936 CB MET A 128 8.676 -1.014 -4.851 1.00 0.25 C ATOM 1937 CG MET A 128 8.366 0.303 -4.162 1.00 0.27 C ATOM 1938 SD MET A 128 9.220 1.710 -4.896 1.00 0.30 S ATOM 1939 CE MET A 128 8.400 1.823 -6.481 1.00 0.29 C ATOM 0 H MET A 128 9.233 -1.613 -2.537 1.00 0.28 H new ATOM 0 HA MET A 128 6.977 -2.131 -4.133 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.757 -1.142 -4.902 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.312 -0.971 -5.877 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.291 0.480 -4.199 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.641 0.228 -3.110 1.00 0.27 H new ATOM 0 HE1 MET A 128 9.127 2.089 -7.249 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.948 0.862 -6.726 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.624 2.587 -6.436 1.00 0.29 H new ATOM 1949 N GLN A 129 9.515 -4.128 -4.570 1.00 0.25 N ATOM 1950 CA GLN A 129 9.949 -5.335 -5.247 1.00 0.26 C ATOM 1951 C GLN A 129 9.127 -6.534 -4.806 1.00 0.29 C ATOM 1952 O GLN A 129 9.100 -7.556 -5.492 1.00 0.31 O ATOM 1953 CB GLN A 129 11.441 -5.572 -5.028 1.00 0.29 C ATOM 1954 CG GLN A 129 12.312 -4.695 -5.915 1.00 0.31 C ATOM 1955 CD GLN A 129 13.782 -4.755 -5.546 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.270 -3.968 -4.734 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.501 -5.686 -6.152 1.00 1.28 N ATOM 0 H GLN A 129 10.129 -3.820 -3.816 1.00 0.25 H new ATOM 0 HA GLN A 129 9.786 -5.202 -6.316 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.685 -5.381 -3.983 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.671 -6.620 -5.223 1.00 0.29 H new ATOM 0 HG2 GLN A 129 12.191 -5.004 -6.953 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.968 -3.663 -5.847 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.059 -6.319 -6.819 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.498 -5.771 -5.953 1.00 1.28 H new ATOM 1966 N GLU A 130 8.437 -6.410 -3.680 1.00 0.33 N ATOM 1967 CA GLU A 130 7.490 -7.437 -3.281 1.00 0.38 C ATOM 1968 C GLU A 130 6.266 -7.331 -4.162 1.00 0.33 C ATOM 1969 O GLU A 130 5.686 -8.331 -4.557 1.00 0.36 O ATOM 1970 CB GLU A 130 7.064 -7.303 -1.822 1.00 0.48 C ATOM 1971 CG GLU A 130 8.164 -6.824 -0.908 1.00 0.71 C ATOM 1972 CD GLU A 130 7.817 -6.996 0.561 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.135 -6.109 1.118 1.00 2.02 O ATOM 1974 OE2 GLU A 130 8.220 -8.004 1.165 1.00 1.46 O ATOM 0 H GLU A 130 8.514 -5.622 -3.037 1.00 0.33 H new ATOM 0 HA GLU A 130 7.979 -8.405 -3.392 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.225 -6.609 -1.760 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.705 -8.269 -1.468 1.00 0.48 H new ATOM 0 HG2 GLU A 130 9.080 -7.373 -1.128 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.367 -5.772 -1.109 1.00 0.71 H new ATOM 1981 N LEU A 131 5.899 -6.107 -4.508 1.00 0.29 N ATOM 1982 CA LEU A 131 4.712 -5.905 -5.319 1.00 0.29 C ATOM 1983 C LEU A 131 4.963 -6.427 -6.712 1.00 0.24 C ATOM 1984 O LEU A 131 4.145 -7.134 -7.291 1.00 0.25 O ATOM 1985 CB LEU A 131 4.311 -4.438 -5.368 1.00 0.32 C ATOM 1986 CG LEU A 131 3.541 -3.937 -4.149 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.351 -4.826 -3.866 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.441 -3.892 -2.945 1.00 1.06 C ATOM 0 H LEU A 131 6.395 -5.255 -4.246 1.00 0.29 H new ATOM 0 HA LEU A 131 3.887 -6.453 -4.864 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.212 -3.835 -5.483 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.701 -4.273 -6.257 1.00 0.32 H new ATOM 0 HG LEU A 131 3.182 -2.930 -4.364 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.816 -4.451 -2.993 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.684 -4.826 -4.728 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.694 -5.842 -3.672 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.878 -3.533 -2.083 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.822 -4.892 -2.738 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.276 -3.218 -3.140 1.00 1.06 H new ATOM 2000 N MET A 132 6.127 -6.124 -7.231 1.00 0.21 N ATOM 2001 CA MET A 132 6.492 -6.615 -8.533 1.00 0.22 C ATOM 2002 C MET A 132 6.832 -8.101 -8.451 1.00 0.26 C ATOM 2003 O MET A 132 6.974 -8.773 -9.472 1.00 0.32 O ATOM 2004 CB MET A 132 7.643 -5.799 -9.089 1.00 0.23 C ATOM 2005 CG MET A 132 9.019 -6.201 -8.589 1.00 0.26 C ATOM 2006 SD MET A 132 9.821 -7.337 -9.723 1.00 0.35 S ATOM 2007 CE MET A 132 9.280 -6.604 -11.265 1.00 0.32 C ATOM 0 H MET A 132 6.832 -5.544 -6.775 1.00 0.21 H new ATOM 0 HA MET A 132 5.651 -6.506 -9.217 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.632 -5.877 -10.176 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.476 -4.750 -8.843 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.637 -5.312 -8.465 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.930 -6.667 -7.608 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.987 -6.856 -12.056 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.293 -6.988 -11.524 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.230 -5.521 -11.155 1.00 0.32 H new ATOM 2017 N GLU A 133 6.925 -8.616 -7.222 1.00 0.27 N ATOM 2018 CA GLU A 133 7.069 -10.043 -7.008 1.00 0.35 C ATOM 2019 C GLU A 133 5.732 -10.713 -7.272 1.00 0.34 C ATOM 2020 O GLU A 133 5.684 -11.847 -7.752 1.00 0.40 O ATOM 2021 CB GLU A 133 7.555 -10.344 -5.585 1.00 0.44 C ATOM 2022 CG GLU A 133 7.578 -11.823 -5.236 1.00 0.67 C ATOM 2023 CD GLU A 133 8.104 -12.088 -3.844 1.00 1.30 C ATOM 2024 OE1 GLU A 133 7.339 -11.906 -2.873 1.00 2.18 O ATOM 2025 OE2 GLU A 133 9.287 -12.470 -3.706 1.00 1.55 O ATOM 0 H GLU A 133 6.902 -8.060 -6.367 1.00 0.27 H new ATOM 0 HA GLU A 133 7.819 -10.435 -7.695 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.559 -9.937 -5.462 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.911 -9.824 -4.875 1.00 0.44 H new ATOM 0 HG2 GLU A 133 6.569 -12.228 -5.322 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.197 -12.353 -5.960 1.00 0.67 H new ATOM 2032 N TYR A 134 4.635 -10.006 -6.986 1.00 0.30 N ATOM 2033 CA TYR A 134 3.324 -10.528 -7.334 1.00 0.34 C ATOM 2034 C TYR A 134 2.966 -10.064 -8.741 1.00 0.36 C ATOM 2035 O TYR A 134 1.876 -10.323 -9.251 1.00 0.44 O ATOM 2036 CB TYR A 134 2.315 -10.106 -6.286 1.00 0.32 C ATOM 2037 CG TYR A 134 2.898 -10.220 -4.900 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.515 -11.398 -4.491 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.907 -9.141 -4.031 1.00 0.37 C ATOM 2040 CE1 TYR A 134 4.111 -11.499 -3.256 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.515 -9.230 -2.796 1.00 0.49 C ATOM 2042 CZ TYR A 134 4.114 -10.412 -2.413 1.00 0.57 C ATOM 2043 OH TYR A 134 4.734 -10.501 -1.189 1.00 0.74 O ATOM 0 H TYR A 134 4.632 -9.095 -6.527 1.00 0.30 H new ATOM 0 HA TYR A 134 3.323 -11.618 -7.343 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.002 -9.078 -6.470 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.424 -10.729 -6.362 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.526 -12.249 -5.156 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.431 -8.217 -4.325 1.00 0.37 H new ATOM 0 HE1 TYR A 134 4.574 -12.426 -2.950 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.522 -8.378 -2.132 1.00 0.49 H new ATOM 0 HH TYR A 134 4.860 -9.602 -0.820 1.00 0.74 H new ATOM 2053 N ASN A 135 3.933 -9.358 -9.332 1.00 0.35 N ATOM 2054 CA ASN A 135 3.951 -8.997 -10.748 1.00 0.38 C ATOM 2055 C ASN A 135 2.975 -7.881 -11.032 1.00 0.42 C ATOM 2056 O ASN A 135 2.419 -7.773 -12.123 1.00 0.59 O ATOM 2057 CB ASN A 135 3.688 -10.209 -11.649 1.00 0.47 C ATOM 2058 CG ASN A 135 4.836 -11.201 -11.636 1.00 1.19 C ATOM 2059 OD1 ASN A 135 4.886 -12.104 -10.799 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.769 -11.044 -12.562 1.00 1.89 N ATOM 0 H ASN A 135 4.747 -9.013 -8.823 1.00 0.35 H new ATOM 0 HA ASN A 135 4.953 -8.637 -10.981 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.776 -10.709 -11.323 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.517 -9.869 -12.670 1.00 0.47 H new ATOM 0 HD21 ASN A 135 6.563 -11.683 -12.599 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.693 -10.284 -13.238 1.00 1.89 H new ATOM 2067 N LEU A 136 2.777 -7.054 -10.032 1.00 0.38 N ATOM 2068 CA LEU A 136 2.083 -5.809 -10.205 1.00 0.46 C ATOM 2069 C LEU A 136 3.128 -4.715 -10.192 1.00 0.39 C ATOM 2070 O LEU A 136 3.328 -4.007 -9.205 1.00 0.43 O ATOM 2071 CB LEU A 136 1.016 -5.611 -9.130 1.00 0.62 C ATOM 2072 CG LEU A 136 1.504 -5.596 -7.688 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.803 -4.496 -6.915 1.00 1.68 C ATOM 2074 CD2 LEU A 136 1.245 -6.943 -7.040 1.00 1.44 C ATOM 0 H LEU A 136 3.094 -7.229 -9.078 1.00 0.38 H new ATOM 0 HA LEU A 136 1.543 -5.793 -11.151 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.503 -4.670 -9.327 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.276 -6.405 -9.232 1.00 0.62 H new ATOM 0 HG LEU A 136 2.577 -5.402 -7.677 1.00 0.89 H new ATOM 0 HD11 LEU A 136 1.158 -4.492 -5.884 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.019 -3.532 -7.377 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.273 -4.671 -6.928 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.597 -6.924 -6.009 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.176 -7.154 -7.055 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.776 -7.720 -7.590 1.00 1.44 H new ATOM 2086 N VAL A 137 3.843 -4.651 -11.294 1.00 0.33 N ATOM 2087 CA VAL A 137 4.992 -3.782 -11.421 1.00 0.27 C ATOM 2088 C VAL A 137 4.584 -2.337 -11.243 1.00 0.26 C ATOM 2089 O VAL A 137 3.606 -1.883 -11.827 1.00 0.27 O ATOM 2090 CB VAL A 137 5.681 -3.928 -12.792 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.188 -4.036 -12.622 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.115 -5.109 -13.571 1.00 0.49 C ATOM 0 H VAL A 137 3.643 -5.202 -12.129 1.00 0.33 H new ATOM 0 HA VAL A 137 5.695 -4.078 -10.642 1.00 0.27 H new ATOM 0 HB VAL A 137 5.475 -3.032 -13.377 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.658 -4.138 -13.600 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.564 -3.138 -12.131 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.424 -4.909 -12.013 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.621 -5.186 -14.533 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.271 -6.027 -13.004 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.047 -4.960 -13.733 1.00 0.49 H new ATOM 2102 N PRO A 138 5.313 -1.609 -10.406 1.00 0.25 N ATOM 2103 CA PRO A 138 5.122 -0.176 -10.239 1.00 0.27 C ATOM 2104 C PRO A 138 5.034 0.554 -11.560 1.00 0.30 C ATOM 2105 O PRO A 138 5.578 0.122 -12.574 1.00 0.29 O ATOM 2106 CB PRO A 138 6.380 0.258 -9.521 1.00 0.30 C ATOM 2107 CG PRO A 138 6.787 -0.925 -8.732 1.00 0.29 C ATOM 2108 CD PRO A 138 6.355 -2.137 -9.515 1.00 0.27 C ATOM 0 HA PRO A 138 4.194 0.044 -9.712 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.158 0.551 -10.226 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.193 1.118 -8.878 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.865 -0.931 -8.572 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.319 -0.913 -7.748 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.183 -2.570 -10.076 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.968 -2.920 -8.863 1.00 0.27 H new ATOM 2116 N GLU A 139 4.374 1.682 -11.516 1.00 0.35 N ATOM 2117 CA GLU A 139 4.171 2.510 -12.691 1.00 0.40 C ATOM 2118 C GLU A 139 5.461 3.269 -12.954 1.00 0.42 C ATOM 2119 O GLU A 139 5.752 3.679 -14.072 1.00 0.50 O ATOM 2120 CB GLU A 139 2.992 3.455 -12.459 1.00 0.47 C ATOM 2121 CG GLU A 139 2.197 3.786 -13.715 1.00 0.80 C ATOM 2122 CD GLU A 139 2.930 4.696 -14.678 1.00 1.49 C ATOM 2123 OE1 GLU A 139 3.263 5.838 -14.291 1.00 1.98 O ATOM 2124 OE2 GLU A 139 3.203 4.268 -15.818 1.00 2.01 O ATOM 0 H GLU A 139 3.958 2.059 -10.664 1.00 0.35 H new ATOM 0 HA GLU A 139 3.930 1.904 -13.564 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.321 3.007 -11.726 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.365 4.382 -12.024 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.942 2.859 -14.228 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.258 4.258 -13.426 1.00 0.80 H new ATOM 2131 N GLU A 140 6.230 3.423 -11.879 1.00 0.42 N ATOM 2132 CA GLU A 140 7.610 3.885 -11.955 1.00 0.44 C ATOM 2133 C GLU A 140 8.385 2.986 -12.901 1.00 0.43 C ATOM 2134 O GLU A 140 9.210 3.439 -13.689 1.00 0.51 O ATOM 2135 CB GLU A 140 8.302 3.801 -10.581 1.00 0.45 C ATOM 2136 CG GLU A 140 7.389 3.481 -9.411 1.00 0.75 C ATOM 2137 CD GLU A 140 6.344 4.543 -9.142 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.731 5.657 -8.727 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.143 4.273 -9.349 1.00 1.01 O ATOM 0 H GLU A 140 5.911 3.230 -10.929 1.00 0.42 H new ATOM 0 HA GLU A 140 7.596 4.919 -12.299 1.00 0.44 H new ATOM 0 HB2 GLU A 140 9.081 3.040 -10.631 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.798 4.752 -10.384 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.888 2.532 -9.602 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.995 3.346 -8.515 1.00 0.75 H new ATOM 2146 N TRP A 141 8.109 1.690 -12.790 1.00 0.35 N ATOM 2147 CA TRP A 141 8.879 0.683 -13.496 1.00 0.35 C ATOM 2148 C TRP A 141 8.184 0.287 -14.796 1.00 0.38 C ATOM 2149 O TRP A 141 8.817 -0.247 -15.706 1.00 0.45 O ATOM 2150 CB TRP A 141 9.139 -0.524 -12.600 1.00 0.32 C ATOM 2151 CG TRP A 141 9.587 -0.161 -11.198 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.888 1.082 -10.715 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.766 -1.057 -10.100 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.196 1.022 -9.388 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.140 -0.286 -8.980 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.629 -2.432 -9.954 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.375 -0.858 -7.727 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.860 -3.000 -8.714 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.227 -2.216 -7.610 1.00 0.23 C ATOM 0 H TRP A 141 7.354 1.316 -12.215 1.00 0.35 H new ATOM 0 HA TRP A 141 9.848 1.107 -13.760 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.229 -1.121 -12.537 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.900 -1.151 -13.064 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.883 1.987 -11.304 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.430 1.819 -8.796 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.347 -3.048 -10.795 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.663 -0.252 -6.881 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.756 -4.068 -8.593 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.395 -2.689 -6.654 1.00 0.23 H new ATOM 2170 N GLY A 142 6.881 0.547 -14.886 1.00 0.35 N ATOM 2171 CA GLY A 142 6.192 0.385 -16.151 1.00 0.39 C ATOM 2172 C GLY A 142 5.267 -0.806 -16.147 1.00 0.38 C ATOM 2173 O GLY A 142 5.032 -1.427 -17.185 1.00 0.45 O ATOM 0 H GLY A 142 6.297 0.864 -14.112 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.620 1.287 -16.369 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.925 0.271 -16.950 1.00 0.39 H new ATOM 2177 N GLY A 143 4.765 -1.136 -14.972 1.00 0.33 N ATOM 2178 CA GLY A 143 3.830 -2.232 -14.853 1.00 0.34 C ATOM 2179 C GLY A 143 2.391 -1.772 -14.809 1.00 0.37 C ATOM 2180 O GLY A 143 1.873 -1.235 -15.787 1.00 0.50 O ATOM 0 H GLY A 143 4.988 -0.664 -14.096 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.964 -2.911 -15.695 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.054 -2.798 -13.949 1.00 0.34 H new ATOM 2184 N ASP A 144 1.744 -1.970 -13.671 1.00 0.33 N ATOM 2185 CA ASP A 144 0.332 -1.655 -13.538 1.00 0.40 C ATOM 2186 C ASP A 144 -0.013 -1.192 -12.124 1.00 0.30 C ATOM 2187 O ASP A 144 -1.162 -1.325 -11.671 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.528 -2.876 -13.911 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.338 -4.064 -12.977 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.737 -4.701 -13.025 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.243 -4.345 -12.163 1.00 1.30 O ATOM 0 H ASP A 144 2.175 -2.347 -12.827 1.00 0.33 H new ATOM 0 HA ASP A 144 0.115 -0.836 -14.224 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.578 -2.585 -13.906 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.287 -3.183 -14.929 1.00 0.57 H new ATOM 2196 N THR A 145 0.960 -0.629 -11.409 1.00 0.25 N ATOM 2197 CA THR A 145 0.708 -0.288 -10.012 1.00 0.24 C ATOM 2198 C THR A 145 1.251 1.081 -9.607 1.00 0.24 C ATOM 2199 O THR A 145 2.428 1.382 -9.776 1.00 0.31 O ATOM 2200 CB THR A 145 1.270 -1.377 -9.088 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.705 -2.634 -9.464 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.936 -1.087 -7.635 1.00 0.28 C ATOM 0 H THR A 145 1.893 -0.407 -11.756 1.00 0.25 H new ATOM 0 HA THR A 145 -0.375 -0.231 -9.903 1.00 0.24 H new ATOM 0 HB THR A 145 2.355 -1.400 -9.189 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.269 -2.549 -9.529 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.346 -1.875 -7.003 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.368 -0.129 -7.347 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.146 -1.049 -7.511 1.00 0.28 H new ATOM 2210 N ILE A 146 0.365 1.891 -9.043 1.00 0.26 N ATOM 2211 CA ILE A 146 0.707 3.229 -8.577 1.00 0.27 C ATOM 2212 C ILE A 146 1.254 3.173 -7.153 1.00 0.24 C ATOM 2213 O ILE A 146 0.541 2.799 -6.229 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.540 4.145 -8.617 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.010 4.344 -10.060 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.272 5.486 -7.950 1.00 0.34 C ATOM 2217 CD1 ILE A 146 0.025 4.979 -10.961 1.00 1.23 C ATOM 0 H ILE A 146 -0.612 1.639 -8.895 1.00 0.26 H new ATOM 0 HA ILE A 146 1.473 3.637 -9.237 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.333 3.652 -8.055 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.295 3.377 -10.475 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.905 4.966 -10.057 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.170 6.102 -7.998 1.00 0.34 H new ATOM 0 HG22 ILE A 146 0.003 5.325 -6.908 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.543 5.993 -8.466 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -0.384 5.086 -11.966 1.00 1.23 H new ATOM 0 HD12 ILE A 146 0.293 5.961 -10.572 1.00 1.23 H new ATOM 0 HD13 ILE A 146 0.913 4.348 -10.996 1.00 1.23 H new ATOM 2229 N PHE A 147 2.519 3.533 -6.981 1.00 0.23 N ATOM 2230 CA PHE A 147 3.155 3.516 -5.665 1.00 0.22 C ATOM 2231 C PHE A 147 3.112 4.889 -5.014 1.00 0.24 C ATOM 2232 O PHE A 147 3.573 5.873 -5.591 1.00 0.38 O ATOM 2233 CB PHE A 147 4.605 3.051 -5.776 1.00 0.23 C ATOM 2234 CG PHE A 147 4.733 1.570 -5.663 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.431 0.752 -6.736 1.00 0.20 C ATOM 2236 CD2 PHE A 147 5.117 0.991 -4.467 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.514 -0.621 -6.618 1.00 0.20 C ATOM 2238 CE2 PHE A 147 5.197 -0.379 -4.341 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.897 -1.187 -5.419 1.00 0.19 C ATOM 0 H PHE A 147 3.129 3.842 -7.738 1.00 0.23 H new ATOM 0 HA PHE A 147 2.598 2.817 -5.041 1.00 0.22 H new ATOM 0 HB2 PHE A 147 5.017 3.378 -6.731 1.00 0.23 H new ATOM 0 HB3 PHE A 147 5.198 3.526 -4.994 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.127 1.191 -7.675 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.357 1.620 -3.622 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.279 -1.251 -7.463 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.494 -0.819 -3.401 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.962 -2.261 -5.324 1.00 0.19 H new ATOM 2249 N CYS A 148 2.539 4.947 -3.824 1.00 0.25 N ATOM 2250 CA CYS A 148 2.526 6.164 -3.034 1.00 0.28 C ATOM 2251 C CYS A 148 3.092 5.891 -1.654 1.00 0.26 C ATOM 2252 O CYS A 148 2.736 4.896 -1.026 1.00 0.32 O ATOM 2253 CB CYS A 148 1.096 6.673 -2.887 1.00 0.30 C ATOM 2254 SG CYS A 148 0.250 6.975 -4.455 1.00 1.10 S ATOM 0 H CYS A 148 2.072 4.156 -3.381 1.00 0.25 H new ATOM 0 HA CYS A 148 3.134 6.914 -3.540 1.00 0.28 H new ATOM 0 HB2 CYS A 148 0.522 5.947 -2.312 1.00 0.30 H new ATOM 0 HB3 CYS A 148 1.109 7.598 -2.311 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.617 7.932 -4.303 1.00 1.10 H new ATOM 2260 N LYS A 149 3.979 6.749 -1.184 1.00 0.37 N ATOM 2261 CA LYS A 149 4.419 6.670 0.197 1.00 0.38 C ATOM 2262 C LYS A 149 3.693 7.739 0.996 1.00 0.39 C ATOM 2263 O LYS A 149 3.711 8.921 0.640 1.00 0.47 O ATOM 2264 CB LYS A 149 5.941 6.810 0.326 1.00 0.47 C ATOM 2265 CG LYS A 149 6.488 8.193 0.000 1.00 0.64 C ATOM 2266 CD LYS A 149 7.987 8.263 0.247 1.00 0.94 C ATOM 2267 CE LYS A 149 8.530 9.672 0.069 1.00 1.57 C ATOM 2268 NZ LYS A 149 8.081 10.590 1.151 1.00 2.44 N ATOM 0 H LYS A 149 4.404 7.499 -1.729 1.00 0.37 H new ATOM 0 HA LYS A 149 4.174 5.685 0.593 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.230 6.552 1.345 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.415 6.083 -0.333 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.277 8.434 -1.042 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.981 8.941 0.610 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.204 7.916 1.257 1.00 0.94 H new ATOM 0 HD3 LYS A 149 8.499 7.588 -0.439 1.00 0.94 H new ATOM 0 HE2 LYS A 149 9.619 9.640 0.051 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.207 10.065 -0.895 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 8.593 11.492 1.076 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.060 10.763 1.058 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 8.276 10.157 2.076 1.00 2.44 H new ATOM 2282 N LEU A 150 3.001 7.325 2.038 1.00 0.40 N ATOM 2283 CA LEU A 150 2.165 8.262 2.777 1.00 0.45 C ATOM 2284 C LEU A 150 2.096 7.980 4.266 1.00 0.45 C ATOM 2285 O LEU A 150 2.613 6.990 4.774 1.00 0.49 O ATOM 2286 CB LEU A 150 0.742 8.227 2.241 1.00 0.60 C ATOM 2287 CG LEU A 150 0.057 6.873 2.338 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.404 7.043 2.713 1.00 1.25 C ATOM 2289 CD2 LEU A 150 0.196 6.135 1.026 1.00 1.27 C ATOM 0 H LEU A 150 2.996 6.368 2.390 1.00 0.40 H new ATOM 0 HA LEU A 150 2.631 9.237 2.637 1.00 0.45 H new ATOM 0 HB2 LEU A 150 0.146 8.960 2.785 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.754 8.538 1.196 1.00 0.60 H new ATOM 0 HG LEU A 150 0.537 6.285 3.120 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -1.879 6.064 2.778 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.476 7.546 3.677 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -1.907 7.641 1.953 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.296 5.165 1.100 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.268 6.718 0.230 1.00 1.27 H new ATOM 0 HD23 LEU A 150 1.252 5.989 0.801 1.00 1.27 H new ATOM 2301 N SER A 151 1.415 8.886 4.939 1.00 0.49 N ATOM 2302 CA SER A 151 1.041 8.725 6.321 1.00 0.55 C ATOM 2303 C SER A 151 -0.305 9.394 6.555 1.00 0.57 C ATOM 2304 O SER A 151 -0.428 10.611 6.420 1.00 0.60 O ATOM 2305 CB SER A 151 2.092 9.318 7.235 1.00 0.66 C ATOM 2306 OG SER A 151 2.881 8.303 7.827 1.00 1.79 O ATOM 0 H SER A 151 1.103 9.767 4.530 1.00 0.49 H new ATOM 0 HA SER A 151 0.963 7.662 6.548 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.731 9.996 6.669 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.610 9.909 8.014 1.00 0.66 H new ATOM 0 HG SER A 151 3.554 8.711 8.412 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.316 8.598 6.872 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.651 9.127 7.129 1.00 0.70 C ATOM 2314 C ALA A 152 -2.664 9.980 8.396 1.00 0.74 C ATOM 2315 O ALA A 152 -3.546 10.804 8.599 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.654 7.991 7.232 1.00 0.86 C ATOM 0 H ALA A 152 -1.239 7.585 6.958 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.936 9.766 6.294 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.647 8.398 7.424 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.666 7.431 6.297 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -3.370 7.328 8.049 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.643 9.799 9.213 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.504 10.524 10.458 1.00 0.93 C ATOM 2324 C LYS A 153 -1.154 11.971 10.179 1.00 0.86 C ATOM 2325 O LYS A 153 -1.804 12.899 10.659 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.407 9.863 11.290 1.00 1.13 C ATOM 2327 CG LYS A 153 0.863 9.563 10.505 1.00 1.19 C ATOM 2328 CD LYS A 153 1.850 8.724 11.302 1.00 1.68 C ATOM 2329 CE LYS A 153 2.472 9.513 12.438 1.00 2.31 C ATOM 2330 NZ LYS A 153 3.539 8.740 13.123 1.00 3.03 N ATOM 0 H LYS A 153 -0.885 9.142 9.029 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.444 10.500 11.009 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -0.159 10.513 12.129 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -0.792 8.933 11.709 1.00 1.13 H new ATOM 0 HG2 LYS A 153 0.604 9.039 9.585 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.338 10.500 10.215 1.00 1.19 H new ATOM 0 HD2 LYS A 153 1.341 7.848 11.704 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.635 8.360 10.640 1.00 1.68 H new ATOM 0 HE2 LYS A 153 2.888 10.443 12.050 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.700 9.785 13.158 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 3.941 9.311 13.894 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.137 7.865 13.514 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 4.288 8.502 12.441 1.00 3.03 H new ATOM 2344 N THR A 154 -0.123 12.138 9.381 1.00 0.78 N ATOM 2345 CA THR A 154 0.360 13.455 9.019 1.00 0.81 C ATOM 2346 C THR A 154 -0.457 14.068 7.881 1.00 0.73 C ATOM 2347 O THR A 154 -0.231 15.218 7.502 1.00 0.82 O ATOM 2348 CB THR A 154 1.850 13.410 8.633 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.067 12.397 7.640 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.717 13.124 9.851 1.00 1.20 C ATOM 0 H THR A 154 0.403 11.369 8.965 1.00 0.78 H new ATOM 0 HA THR A 154 0.242 14.089 9.898 1.00 0.81 H new ATOM 0 HB THR A 154 2.128 14.383 8.229 1.00 0.89 H new ATOM 0 HG1 THR A 154 2.838 12.641 7.086 1.00 1.19 H new ATOM 0 HG21 THR A 154 3.765 13.097 9.553 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.571 13.908 10.594 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.437 12.162 10.279 1.00 1.20 H new ATOM 2358 N LYS A 155 -1.389 13.279 7.333 1.00 0.65 N ATOM 2359 CA LYS A 155 -2.338 13.728 6.301 1.00 0.67 C ATOM 2360 C LYS A 155 -1.684 13.824 4.914 1.00 0.66 C ATOM 2361 O LYS A 155 -2.350 13.620 3.898 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.958 15.083 6.679 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.139 15.479 5.810 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.388 14.714 6.196 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.088 14.140 4.980 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.336 15.165 3.928 1.00 2.27 N ATOM 0 H LYS A 155 -1.509 12.300 7.595 1.00 0.65 H new ATOM 0 HA LYS A 155 -3.124 12.975 6.249 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -3.280 15.047 7.720 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.192 15.855 6.609 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.321 16.549 5.906 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.903 15.289 4.763 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.125 13.907 6.880 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -6.070 15.375 6.731 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -5.483 13.335 4.563 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -7.037 13.700 5.285 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -6.675 14.699 3.062 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -7.054 15.839 4.262 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.452 15.674 3.724 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.379 14.099 4.901 1.00 0.62 N ATOM 2381 CA GLU A 156 0.394 14.372 3.679 1.00 0.66 C ATOM 2382 C GLU A 156 0.020 13.449 2.518 1.00 0.59 C ATOM 2383 O GLU A 156 -0.587 13.868 1.524 1.00 0.58 O ATOM 2384 CB GLU A 156 1.889 14.199 3.971 1.00 0.75 C ATOM 2385 CG GLU A 156 2.361 14.891 5.239 1.00 1.13 C ATOM 2386 CD GLU A 156 3.761 14.473 5.635 1.00 1.78 C ATOM 2387 OE1 GLU A 156 3.964 13.274 5.932 1.00 2.64 O ATOM 2388 OE2 GLU A 156 4.667 15.333 5.648 1.00 2.03 O ATOM 0 H GLU A 156 0.184 14.140 5.751 1.00 0.62 H new ATOM 0 HA GLU A 156 0.161 15.395 3.382 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.112 13.135 4.047 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.460 14.585 3.126 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.335 15.971 5.092 1.00 1.13 H new ATOM 0 HG3 GLU A 156 1.672 14.663 6.053 1.00 1.13 H new ATOM 2395 N GLY A 157 0.379 12.189 2.670 1.00 0.62 N ATOM 2396 CA GLY A 157 0.249 11.238 1.595 1.00 0.61 C ATOM 2397 C GLY A 157 -1.185 10.939 1.196 1.00 0.48 C ATOM 2398 O GLY A 157 -1.429 10.489 0.082 1.00 0.46 O ATOM 0 H GLY A 157 0.764 11.804 3.533 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.785 11.616 0.724 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.734 10.307 1.888 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.131 11.178 2.097 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.538 10.899 1.807 1.00 0.50 C ATOM 2404 C LEU A 158 -4.045 11.844 0.723 1.00 0.46 C ATOM 2405 O LEU A 158 -4.790 11.440 -0.172 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.394 11.026 3.068 1.00 0.62 C ATOM 2407 CG LEU A 158 -5.405 9.896 3.274 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -6.267 10.172 4.487 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -6.272 9.702 2.036 1.00 1.27 C ATOM 0 H LEU A 158 -1.955 11.560 3.026 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.618 9.873 1.449 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.735 11.067 3.935 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.932 11.973 3.031 1.00 0.62 H new ATOM 0 HG LEU A 158 -4.850 8.974 3.443 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -6.980 9.359 4.619 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -5.636 10.248 5.372 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.807 11.108 4.345 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -6.981 8.893 2.211 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -6.817 10.622 1.825 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -5.639 9.452 1.184 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.620 13.098 0.792 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.983 14.072 -0.227 1.00 0.57 C ATOM 2423 C ASP A 159 -3.372 13.681 -1.565 1.00 0.50 C ATOM 2424 O ASP A 159 -4.015 13.797 -2.608 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.545 15.484 0.176 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.393 16.055 1.298 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -5.447 16.664 1.008 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -4.016 15.895 2.477 1.00 2.50 O ATOM 0 H ASP A 159 -3.027 13.463 1.538 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.069 14.077 -0.324 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -2.501 15.462 0.488 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -3.605 16.141 -0.691 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.133 13.191 -1.529 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.471 12.707 -2.740 1.00 0.46 C ATOM 2435 C HIS A 160 -2.137 11.424 -3.245 1.00 0.41 C ATOM 2436 O HIS A 160 -2.141 11.149 -4.444 1.00 0.43 O ATOM 2437 CB HIS A 160 0.024 12.463 -2.487 1.00 0.50 C ATOM 2438 CG HIS A 160 0.778 11.990 -3.705 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.074 12.812 -4.772 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.290 10.771 -4.022 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.731 12.124 -5.690 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.877 10.887 -5.259 1.00 0.67 N ATOM 0 H HIS A 160 -1.571 13.119 -0.681 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.570 13.476 -3.506 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.477 13.386 -2.126 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.133 11.723 -1.694 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.244 9.879 -3.415 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.088 12.510 -6.633 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.350 10.137 -5.763 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.693 10.646 -2.324 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.356 9.396 -2.674 1.00 0.39 C ATOM 2453 C LEU A 161 -4.567 9.660 -3.559 1.00 0.39 C ATOM 2454 O LEU A 161 -4.695 9.074 -4.631 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.779 8.638 -1.412 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.482 7.304 -1.658 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.590 6.370 -2.462 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.873 6.663 -0.336 1.00 0.88 C ATOM 0 H LEU A 161 -2.698 10.860 -1.327 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.648 8.780 -3.229 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.894 8.457 -0.803 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.442 9.277 -0.829 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.388 7.490 -2.234 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.108 5.425 -2.627 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.356 6.828 -3.423 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.667 6.187 -1.913 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.373 5.713 -0.526 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.979 6.489 0.263 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.548 7.327 0.205 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.440 10.561 -3.110 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.623 10.947 -3.873 1.00 0.44 C ATOM 2472 C LEU A 162 -6.235 11.384 -5.282 1.00 0.45 C ATOM 2473 O LEU A 162 -6.894 11.026 -6.251 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.354 12.081 -3.157 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.866 11.746 -1.754 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.550 12.956 -1.137 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.821 10.563 -1.801 1.00 1.06 C ATOM 0 H LEU A 162 -5.347 11.040 -2.214 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.285 10.084 -3.950 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.682 12.936 -3.086 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.200 12.390 -3.771 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.013 11.474 -1.132 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.909 12.702 -0.140 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.840 13.780 -1.068 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.393 13.255 -1.760 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.174 10.340 -0.794 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.671 10.807 -2.438 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.303 9.693 -2.205 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.142 12.132 -5.384 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.652 12.609 -6.677 1.00 0.52 C ATOM 2491 C GLU A 163 -4.412 11.438 -7.627 1.00 0.51 C ATOM 2492 O GLU A 163 -4.802 11.472 -8.794 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.342 13.377 -6.497 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.444 14.572 -5.568 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.214 15.729 -6.170 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -3.650 16.432 -7.031 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -5.370 15.959 -5.759 1.00 2.49 O ATOM 0 H GLU A 163 -4.576 12.423 -4.587 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.410 13.268 -7.101 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.584 12.695 -6.111 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -2.997 13.718 -7.473 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.928 14.264 -4.641 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.441 14.908 -5.307 1.00 1.06 H new ATOM 2504 N MET A 164 -3.778 10.396 -7.105 1.00 0.49 N ATOM 2505 CA MET A 164 -3.407 9.240 -7.911 1.00 0.52 C ATOM 2506 C MET A 164 -4.626 8.367 -8.194 1.00 0.51 C ATOM 2507 O MET A 164 -4.711 7.728 -9.240 1.00 0.57 O ATOM 2508 CB MET A 164 -2.331 8.418 -7.198 1.00 0.53 C ATOM 2509 CG MET A 164 -1.069 9.196 -6.843 1.00 0.68 C ATOM 2510 SD MET A 164 -0.125 9.758 -8.280 1.00 0.87 S ATOM 2511 CE MET A 164 -1.001 11.252 -8.740 1.00 0.67 C ATOM 0 H MET A 164 -3.509 10.328 -6.123 1.00 0.49 H new ATOM 0 HA MET A 164 -3.008 9.600 -8.860 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.756 8.003 -6.284 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.056 7.575 -7.833 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.345 10.062 -6.241 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.429 8.568 -6.223 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.294 11.982 -9.134 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.744 11.018 -9.503 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.499 11.666 -7.863 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.564 8.353 -7.255 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.792 7.600 -7.395 1.00 0.51 C ATOM 2523 C ILE A 165 -7.572 8.056 -8.634 1.00 0.58 C ATOM 2524 O ILE A 165 -7.872 7.249 -9.517 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.652 7.779 -6.127 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.014 7.046 -4.948 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.066 7.298 -6.355 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.722 7.282 -3.631 1.00 0.50 C ATOM 0 H ILE A 165 -5.489 8.866 -6.376 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.546 6.545 -7.520 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.698 8.843 -5.893 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.004 5.977 -5.159 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.975 7.362 -4.854 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.649 7.437 -5.444 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.518 7.869 -7.166 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.052 6.241 -6.620 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.213 6.730 -2.840 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.709 8.346 -3.397 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.754 6.939 -3.706 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.889 9.354 -8.696 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.564 9.931 -9.846 1.00 0.72 C ATOM 2542 C LEU A 166 -7.756 9.721 -11.114 1.00 0.72 C ATOM 2543 O LEU A 166 -8.309 9.387 -12.163 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.779 11.425 -9.620 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.888 11.799 -8.634 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -11.237 11.308 -9.134 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -9.618 11.258 -7.243 1.00 1.48 C ATOM 0 H LEU A 166 -7.684 10.023 -7.953 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.526 9.432 -9.963 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.843 11.858 -9.266 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.001 11.890 -10.581 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.906 12.887 -8.568 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -12.012 11.584 -8.419 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -11.455 11.764 -10.100 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -11.212 10.224 -9.242 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -10.430 11.547 -6.576 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.550 10.171 -7.282 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -8.679 11.667 -6.870 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.444 9.915 -11.003 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.541 9.725 -12.129 1.00 0.79 C ATOM 2561 C LEU A 167 -5.728 8.341 -12.737 1.00 0.87 C ATOM 2562 O LEU A 167 -5.769 8.193 -13.953 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.086 9.910 -11.685 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.042 9.747 -12.792 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.208 10.824 -13.855 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.640 9.782 -12.207 1.00 1.41 C ATOM 0 H LEU A 167 -5.984 10.205 -10.140 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.776 10.474 -12.885 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.979 10.904 -11.250 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.870 9.191 -10.895 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.194 8.778 -13.267 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.455 10.688 -14.631 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.202 10.750 -14.296 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.086 11.807 -13.399 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.909 9.665 -13.007 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.479 10.736 -11.705 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.525 8.970 -11.489 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.875 7.339 -11.880 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.048 5.968 -12.318 1.00 0.96 C ATOM 2580 C VAL A 168 -7.431 5.744 -12.912 1.00 1.01 C ATOM 2581 O VAL A 168 -7.562 5.104 -13.952 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.801 4.991 -11.154 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.380 3.624 -11.452 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.317 4.879 -10.892 1.00 1.14 C ATOM 0 H VAL A 168 -5.877 7.457 -10.867 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.312 5.776 -13.099 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.301 5.381 -10.267 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.189 2.957 -10.611 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.455 3.711 -11.610 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.913 3.219 -12.350 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.144 4.187 -10.068 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.816 4.510 -11.787 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.918 5.860 -10.632 1.00 1.14 H new