USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 912 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 97 SER OG : rot -67:sc= 0.758 USER MOD Set 1.2: A 113 ASN :FLIP amide:sc= -0.302 F(o=-1.7!,f=0.46) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -174:sc= 1.04 (180deg=-0.0119) USER MOD Set 2.2: A 84 SER OG : rot -48:sc= 1.84 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -107:sc= 1.26 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0393 F(o=-0.55,f=-0.039) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= 0.705 (180deg=-1.49!) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.8 F(o=-2.4!,f=-1.8) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0514 F(o=-3.3!,f=-0.051) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0815) USER MOD Single : A 68 HIS : no HD1:sc= 0.986 K(o=0.99,f=-4!) USER MOD Single : A 71 GLN : amide:sc= -4.11! C(o=-4.1!,f=-7!) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.28) USER MOD Single : A 81 CYS SG : rot 96:sc= -4.3! USER MOD Single : A 83 SER OG : rot -39:sc= 0.341 USER MOD Single : A 85 MET CE :methyl -153:sc= -4.09! (180deg=-7.46!) USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= 0.723 (180deg=-0.222) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 154:sc= 2.43 (180deg=2.05) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 98 MET CE :methyl 157:sc= -0.263 (180deg=-0.955) USER MOD Single : A 99 TYR OH : rot -49:sc= 0.0948 USER MOD Single : A 101 TYR OH : rot 4:sc= 0.0217 USER MOD Single : A 109 SER OG : rot 137:sc= 1.23 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= -0.567 USER MOD ----------------------------------------------------------------- ATOM 95 N PHE A 7 15.487 -0.962 2.161 1.00 0.87 N ATOM 96 CA PHE A 7 16.406 -1.726 2.997 1.00 0.77 C ATOM 97 C PHE A 7 17.609 -0.876 3.374 1.00 0.72 C ATOM 98 O PHE A 7 17.862 0.167 2.766 1.00 0.87 O ATOM 99 CB PHE A 7 16.885 -3.000 2.289 1.00 0.77 C ATOM 100 CG PHE A 7 15.780 -3.930 1.892 1.00 1.61 C ATOM 101 CD1 PHE A 7 15.048 -4.602 2.854 1.00 1.82 C ATOM 102 CD2 PHE A 7 15.487 -4.149 0.557 1.00 2.72 C ATOM 103 CE1 PHE A 7 14.042 -5.474 2.495 1.00 2.63 C ATOM 104 CE2 PHE A 7 14.479 -5.019 0.191 1.00 3.60 C ATOM 105 CZ PHE A 7 13.756 -5.683 1.162 1.00 3.44 C ATOM 0 HA PHE A 7 15.864 -2.015 3.898 1.00 0.77 H new ATOM 0 HB2 PHE A 7 17.447 -2.719 1.398 1.00 0.77 H new ATOM 0 HB3 PHE A 7 17.574 -3.531 2.946 1.00 0.77 H new ATOM 0 HD1 PHE A 7 15.267 -4.442 3.899 1.00 1.82 H new ATOM 0 HD2 PHE A 7 16.052 -3.634 -0.206 1.00 2.72 H new ATOM 0 HE1 PHE A 7 13.479 -5.993 3.257 1.00 2.63 H new ATOM 0 HE2 PHE A 7 14.256 -5.180 -0.854 1.00 3.60 H new ATOM 0 HZ PHE A 7 12.968 -6.365 0.878 1.00 3.44 H new ATOM 115 N GLU A 8 18.353 -1.332 4.368 1.00 0.72 N ATOM 116 CA GLU A 8 19.505 -0.598 4.857 1.00 0.76 C ATOM 117 C GLU A 8 20.788 -1.356 4.533 1.00 0.62 C ATOM 118 O GLU A 8 20.855 -2.579 4.683 1.00 0.61 O ATOM 119 CB GLU A 8 19.377 -0.374 6.365 1.00 1.01 C ATOM 120 CG GLU A 8 20.358 0.642 6.920 1.00 1.20 C ATOM 121 CD GLU A 8 20.186 0.871 8.407 1.00 1.97 C ATOM 122 OE1 GLU A 8 19.078 0.635 8.932 1.00 2.22 O ATOM 123 OE2 GLU A 8 21.159 1.293 9.061 1.00 2.71 O ATOM 0 H GLU A 8 18.177 -2.212 4.853 1.00 0.72 H new ATOM 0 HA GLU A 8 19.546 0.373 4.363 1.00 0.76 H new ATOM 0 HB2 GLU A 8 18.362 -0.045 6.589 1.00 1.01 H new ATOM 0 HB3 GLU A 8 19.524 -1.325 6.878 1.00 1.01 H new ATOM 0 HG2 GLU A 8 21.375 0.303 6.724 1.00 1.20 H new ATOM 0 HG3 GLU A 8 20.231 1.588 6.394 1.00 1.20 H new ATOM 130 N LYS A 9 21.795 -0.634 4.072 1.00 0.60 N ATOM 131 CA LYS A 9 23.070 -1.236 3.718 1.00 0.53 C ATOM 132 C LYS A 9 24.142 -0.790 4.707 1.00 0.50 C ATOM 133 O LYS A 9 24.339 0.405 4.921 1.00 0.56 O ATOM 134 CB LYS A 9 23.488 -0.851 2.287 1.00 0.63 C ATOM 135 CG LYS A 9 22.439 -1.146 1.214 1.00 0.72 C ATOM 136 CD LYS A 9 21.434 -0.010 1.072 1.00 0.95 C ATOM 137 CE LYS A 9 20.333 -0.350 0.079 1.00 1.49 C ATOM 138 NZ LYS A 9 19.415 0.798 -0.156 1.00 1.88 N ATOM 0 H LYS A 9 21.754 0.376 3.933 1.00 0.60 H new ATOM 0 HA LYS A 9 22.960 -2.320 3.760 1.00 0.53 H new ATOM 0 HB2 LYS A 9 23.721 0.214 2.265 1.00 0.63 H new ATOM 0 HB3 LYS A 9 24.405 -1.383 2.035 1.00 0.63 H new ATOM 0 HG2 LYS A 9 22.935 -1.313 0.258 1.00 0.72 H new ATOM 0 HG3 LYS A 9 21.912 -2.067 1.465 1.00 0.72 H new ATOM 0 HD2 LYS A 9 20.992 0.208 2.044 1.00 0.95 H new ATOM 0 HD3 LYS A 9 21.950 0.893 0.747 1.00 0.95 H new ATOM 0 HE2 LYS A 9 20.780 -0.655 -0.867 1.00 1.49 H new ATOM 0 HE3 LYS A 9 19.761 -1.201 0.450 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 18.681 0.521 -0.839 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 18.967 1.074 0.741 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 19.955 1.602 -0.535 1.00 1.88 H new ATOM 152 N VAL A 10 24.828 -1.750 5.309 1.00 0.46 N ATOM 153 CA VAL A 10 25.863 -1.443 6.285 1.00 0.46 C ATOM 154 C VAL A 10 27.244 -1.616 5.665 1.00 0.48 C ATOM 155 O VAL A 10 27.626 -2.723 5.275 1.00 0.54 O ATOM 156 CB VAL A 10 25.753 -2.334 7.541 1.00 0.51 C ATOM 157 CG1 VAL A 10 26.697 -1.848 8.630 1.00 0.54 C ATOM 158 CG2 VAL A 10 24.319 -2.378 8.049 1.00 0.59 C ATOM 0 H VAL A 10 24.687 -2.746 5.139 1.00 0.46 H new ATOM 0 HA VAL A 10 25.720 -0.406 6.589 1.00 0.46 H new ATOM 0 HB VAL A 10 26.045 -3.347 7.265 1.00 0.51 H new ATOM 0 HG11 VAL A 10 26.603 -2.490 9.506 1.00 0.54 H new ATOM 0 HG12 VAL A 10 27.723 -1.882 8.264 1.00 0.54 H new ATOM 0 HG13 VAL A 10 26.442 -0.824 8.902 1.00 0.54 H new ATOM 0 HG21 VAL A 10 24.266 -3.012 8.934 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.992 -1.370 8.304 1.00 0.59 H new ATOM 0 HG23 VAL A 10 23.670 -2.784 7.273 1.00 0.59 H new ATOM 168 N GLU A 11 27.977 -0.519 5.561 1.00 0.53 N ATOM 169 CA GLU A 11 29.312 -0.535 4.984 1.00 0.63 C ATOM 170 C GLU A 11 30.380 -0.491 6.071 1.00 0.55 C ATOM 171 O GLU A 11 30.367 0.383 6.934 1.00 0.59 O ATOM 172 CB GLU A 11 29.496 0.628 3.995 1.00 0.88 C ATOM 173 CG GLU A 11 28.520 1.784 4.180 1.00 1.37 C ATOM 174 CD GLU A 11 28.692 2.527 5.488 1.00 1.72 C ATOM 175 OE1 GLU A 11 29.596 3.389 5.567 1.00 2.02 O ATOM 176 OE2 GLU A 11 27.944 2.240 6.440 1.00 2.16 O ATOM 0 H GLU A 11 27.666 0.402 5.872 1.00 0.53 H new ATOM 0 HA GLU A 11 29.427 -1.470 4.436 1.00 0.63 H new ATOM 0 HB2 GLU A 11 30.512 1.010 4.090 1.00 0.88 H new ATOM 0 HB3 GLU A 11 29.394 0.243 2.980 1.00 0.88 H new ATOM 0 HG2 GLU A 11 28.643 2.486 3.355 1.00 1.37 H new ATOM 0 HG3 GLU A 11 27.502 1.400 4.123 1.00 1.37 H new ATOM 183 N LEU A 12 31.300 -1.451 6.018 1.00 0.52 N ATOM 184 CA LEU A 12 32.367 -1.561 7.005 1.00 0.51 C ATOM 185 C LEU A 12 31.773 -1.685 8.406 1.00 0.52 C ATOM 186 O LEU A 12 32.106 -0.921 9.314 1.00 0.61 O ATOM 187 CB LEU A 12 33.330 -0.368 6.916 1.00 0.57 C ATOM 188 CG LEU A 12 34.138 -0.272 5.616 1.00 0.88 C ATOM 189 CD1 LEU A 12 35.052 0.948 5.643 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.939 -1.549 5.389 1.00 1.45 C ATOM 0 H LEU A 12 31.326 -2.169 5.294 1.00 0.52 H new ATOM 0 HA LEU A 12 32.944 -2.461 6.792 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.756 0.551 7.036 1.00 0.57 H new ATOM 0 HB3 LEU A 12 34.026 -0.421 7.753 1.00 0.57 H new ATOM 0 HG LEU A 12 33.443 -0.156 4.784 1.00 0.88 H new ATOM 0 HD11 LEU A 12 35.617 1.000 4.713 1.00 1.35 H new ATOM 0 HD12 LEU A 12 34.451 1.851 5.753 1.00 1.35 H new ATOM 0 HD13 LEU A 12 35.742 0.867 6.483 1.00 1.35 H new ATOM 0 HD21 LEU A 12 35.506 -1.463 4.462 1.00 1.45 H new ATOM 0 HD22 LEU A 12 35.626 -1.701 6.222 1.00 1.45 H new ATOM 0 HD23 LEU A 12 34.259 -2.398 5.321 1.00 1.45 H new ATOM 202 N THR A 13 30.878 -2.655 8.551 1.00 0.50 N ATOM 203 CA THR A 13 30.188 -2.905 9.805 1.00 0.56 C ATOM 204 C THR A 13 31.179 -3.219 10.928 1.00 0.53 C ATOM 205 O THR A 13 32.312 -3.648 10.677 1.00 0.50 O ATOM 206 CB THR A 13 29.187 -4.072 9.636 1.00 0.68 C ATOM 207 OG1 THR A 13 28.412 -4.259 10.830 1.00 0.78 O ATOM 208 CG2 THR A 13 29.922 -5.356 9.274 1.00 0.69 C ATOM 0 H THR A 13 30.612 -3.290 7.799 1.00 0.50 H new ATOM 0 HA THR A 13 29.643 -2.002 10.079 1.00 0.56 H new ATOM 0 HB THR A 13 28.506 -3.819 8.824 1.00 0.68 H new ATOM 0 HG1 THR A 13 28.710 -5.072 11.290 1.00 0.78 H new ATOM 0 HG21 THR A 13 29.203 -6.167 9.159 1.00 0.69 H new ATOM 0 HG22 THR A 13 30.462 -5.214 8.338 1.00 0.69 H new ATOM 0 HG23 THR A 13 30.628 -5.607 10.066 1.00 0.69 H new ATOM 216 N ALA A 14 30.738 -3.013 12.165 1.00 0.61 N ATOM 217 CA ALA A 14 31.569 -3.222 13.351 1.00 0.66 C ATOM 218 C ALA A 14 31.927 -4.696 13.551 1.00 0.69 C ATOM 219 O ALA A 14 32.668 -5.043 14.468 1.00 0.79 O ATOM 220 CB ALA A 14 30.851 -2.693 14.582 1.00 0.81 C ATOM 0 H ALA A 14 29.792 -2.696 12.376 1.00 0.61 H new ATOM 0 HA ALA A 14 32.500 -2.676 13.201 1.00 0.66 H new ATOM 0 HB1 ALA A 14 31.474 -2.851 15.462 1.00 0.81 H new ATOM 0 HB2 ALA A 14 30.658 -1.627 14.461 1.00 0.81 H new ATOM 0 HB3 ALA A 14 29.906 -3.221 14.707 1.00 0.81 H new ATOM 226 N ASP A 15 31.404 -5.555 12.685 1.00 0.71 N ATOM 227 CA ASP A 15 31.692 -6.984 12.744 1.00 0.85 C ATOM 228 C ASP A 15 33.104 -7.271 12.234 1.00 0.74 C ATOM 229 O ASP A 15 33.569 -8.407 12.273 1.00 0.86 O ATOM 230 CB ASP A 15 30.681 -7.777 11.909 1.00 1.08 C ATOM 231 CG ASP A 15 29.243 -7.565 12.344 1.00 1.69 C ATOM 232 OD1 ASP A 15 28.584 -6.646 11.829 1.00 2.40 O ATOM 233 OD2 ASP A 15 28.774 -8.310 13.232 1.00 1.87 O ATOM 0 H ASP A 15 30.775 -5.286 11.929 1.00 0.71 H new ATOM 0 HA ASP A 15 31.616 -7.295 13.786 1.00 0.85 H new ATOM 0 HB2 ASP A 15 30.782 -7.491 10.862 1.00 1.08 H new ATOM 0 HB3 ASP A 15 30.920 -8.838 11.974 1.00 1.08 H new ATOM 238 N GLY A 16 33.776 -6.234 11.753 1.00 0.64 N ATOM 239 CA GLY A 16 35.140 -6.391 11.287 1.00 0.68 C ATOM 240 C GLY A 16 35.321 -5.999 9.835 1.00 0.57 C ATOM 241 O GLY A 16 36.082 -6.634 9.106 1.00 0.63 O ATOM 0 H GLY A 16 33.402 -5.288 11.677 1.00 0.64 H new ATOM 0 HA2 GLY A 16 35.801 -5.784 11.906 1.00 0.68 H new ATOM 0 HA3 GLY A 16 35.445 -7.429 11.418 1.00 0.68 H new ATOM 245 N GLY A 17 34.619 -4.950 9.412 1.00 0.54 N ATOM 246 CA GLY A 17 34.808 -4.416 8.074 1.00 0.52 C ATOM 247 C GLY A 17 34.245 -5.307 6.982 1.00 0.46 C ATOM 248 O GLY A 17 34.998 -5.963 6.266 1.00 0.61 O ATOM 0 H GLY A 17 33.922 -4.460 9.973 1.00 0.54 H new ATOM 0 HA2 GLY A 17 34.335 -3.436 8.012 1.00 0.52 H new ATOM 0 HA3 GLY A 17 35.873 -4.267 7.898 1.00 0.52 H new ATOM 252 N VAL A 18 32.921 -5.339 6.866 1.00 0.36 N ATOM 253 CA VAL A 18 32.254 -6.088 5.803 1.00 0.34 C ATOM 254 C VAL A 18 31.049 -5.307 5.281 1.00 0.32 C ATOM 255 O VAL A 18 30.347 -4.648 6.053 1.00 0.36 O ATOM 256 CB VAL A 18 31.800 -7.491 6.294 1.00 0.40 C ATOM 257 CG1 VAL A 18 30.817 -8.136 5.322 1.00 0.47 C ATOM 258 CG2 VAL A 18 32.998 -8.404 6.494 1.00 0.49 C ATOM 0 H VAL A 18 32.285 -4.853 7.498 1.00 0.36 H new ATOM 0 HA VAL A 18 32.973 -6.227 4.995 1.00 0.34 H new ATOM 0 HB VAL A 18 31.293 -7.350 7.249 1.00 0.40 H new ATOM 0 HG11 VAL A 18 30.522 -9.115 5.699 1.00 0.47 H new ATOM 0 HG12 VAL A 18 29.934 -7.504 5.224 1.00 0.47 H new ATOM 0 HG13 VAL A 18 31.291 -8.250 4.347 1.00 0.47 H new ATOM 0 HG21 VAL A 18 32.658 -9.381 6.838 1.00 0.49 H new ATOM 0 HG22 VAL A 18 33.531 -8.517 5.550 1.00 0.49 H new ATOM 0 HG23 VAL A 18 33.666 -7.970 7.238 1.00 0.49 H new ATOM 268 N ILE A 19 30.836 -5.358 3.973 1.00 0.31 N ATOM 269 CA ILE A 19 29.681 -4.719 3.354 1.00 0.31 C ATOM 270 C ILE A 19 28.519 -5.707 3.287 1.00 0.30 C ATOM 271 O ILE A 19 28.574 -6.681 2.531 1.00 0.30 O ATOM 272 CB ILE A 19 29.993 -4.243 1.917 1.00 0.34 C ATOM 273 CG1 ILE A 19 31.334 -3.501 1.856 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.867 -3.351 1.404 1.00 0.36 C ATOM 275 CD1 ILE A 19 31.335 -2.171 2.573 1.00 0.47 C ATOM 0 H ILE A 19 31.451 -5.838 3.316 1.00 0.31 H new ATOM 0 HA ILE A 19 29.422 -3.854 3.965 1.00 0.31 H new ATOM 0 HB ILE A 19 30.069 -5.122 1.277 1.00 0.34 H new ATOM 0 HG12 ILE A 19 32.108 -4.135 2.288 1.00 0.41 H new ATOM 0 HG13 ILE A 19 31.600 -3.339 0.812 1.00 0.41 H new ATOM 0 HG21 ILE A 19 29.097 -3.021 0.391 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.932 -3.911 1.400 1.00 0.36 H new ATOM 0 HG23 ILE A 19 28.766 -2.482 2.054 1.00 0.36 H new ATOM 0 HD11 ILE A 19 32.319 -1.710 2.483 1.00 0.47 H new ATOM 0 HD12 ILE A 19 30.586 -1.517 2.127 1.00 0.47 H new ATOM 0 HD13 ILE A 19 31.101 -2.325 3.626 1.00 0.47 H new ATOM 287 N LYS A 20 27.475 -5.469 4.069 1.00 0.33 N ATOM 288 CA LYS A 20 26.327 -6.368 4.083 1.00 0.37 C ATOM 289 C LYS A 20 25.015 -5.584 4.091 1.00 0.33 C ATOM 290 O LYS A 20 24.922 -4.502 4.672 1.00 0.37 O ATOM 291 CB LYS A 20 26.393 -7.329 5.282 1.00 0.53 C ATOM 292 CG LYS A 20 26.443 -6.635 6.635 1.00 0.59 C ATOM 293 CD LYS A 20 26.495 -7.637 7.782 1.00 0.76 C ATOM 294 CE LYS A 20 26.528 -6.930 9.128 1.00 0.83 C ATOM 295 NZ LYS A 20 26.564 -7.882 10.270 1.00 1.34 N ATOM 0 H LYS A 20 27.398 -4.669 4.697 1.00 0.33 H new ATOM 0 HA LYS A 20 26.360 -6.962 3.170 1.00 0.37 H new ATOM 0 HB2 LYS A 20 25.524 -7.986 5.255 1.00 0.53 H new ATOM 0 HB3 LYS A 20 27.274 -7.962 5.178 1.00 0.53 H new ATOM 0 HG2 LYS A 20 27.318 -5.986 6.679 1.00 0.59 H new ATOM 0 HG3 LYS A 20 25.567 -5.997 6.749 1.00 0.59 H new ATOM 0 HD2 LYS A 20 25.626 -8.294 7.734 1.00 0.76 H new ATOM 0 HD3 LYS A 20 27.378 -8.268 7.678 1.00 0.76 H new ATOM 0 HE2 LYS A 20 27.402 -6.281 9.173 1.00 0.83 H new ATOM 0 HE3 LYS A 20 25.651 -6.290 9.220 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 26.483 -7.356 11.163 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 25.772 -8.551 10.189 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 27.462 -8.406 10.257 1.00 1.34 H new ATOM 309 N THR A 21 24.021 -6.134 3.414 1.00 0.34 N ATOM 310 CA THR A 21 22.698 -5.535 3.324 1.00 0.36 C ATOM 311 C THR A 21 21.662 -6.446 3.970 1.00 0.36 C ATOM 312 O THR A 21 21.635 -7.649 3.705 1.00 0.40 O ATOM 313 CB THR A 21 22.325 -5.291 1.851 1.00 0.44 C ATOM 314 OG1 THR A 21 23.386 -4.576 1.202 1.00 0.49 O ATOM 315 CG2 THR A 21 21.023 -4.508 1.726 1.00 0.50 C ATOM 0 H THR A 21 24.109 -7.015 2.907 1.00 0.34 H new ATOM 0 HA THR A 21 22.713 -4.581 3.852 1.00 0.36 H new ATOM 0 HB THR A 21 22.180 -6.259 1.371 1.00 0.44 H new ATOM 0 HG1 THR A 21 23.088 -4.282 0.316 1.00 0.49 H new ATOM 0 HG21 THR A 21 20.791 -4.354 0.672 1.00 0.50 H new ATOM 0 HG22 THR A 21 20.215 -5.068 2.198 1.00 0.50 H new ATOM 0 HG23 THR A 21 21.131 -3.542 2.219 1.00 0.50 H new ATOM 323 N ILE A 22 20.830 -5.872 4.827 1.00 0.40 N ATOM 324 CA ILE A 22 19.790 -6.627 5.515 1.00 0.43 C ATOM 325 C ILE A 22 18.495 -6.598 4.709 1.00 0.44 C ATOM 326 O ILE A 22 18.013 -5.534 4.326 1.00 0.55 O ATOM 327 CB ILE A 22 19.544 -6.086 6.952 1.00 0.56 C ATOM 328 CG1 ILE A 22 18.358 -6.793 7.621 1.00 0.63 C ATOM 329 CG2 ILE A 22 19.328 -4.579 6.949 1.00 0.67 C ATOM 330 CD1 ILE A 22 18.580 -8.268 7.864 1.00 0.66 C ATOM 0 H ILE A 22 20.855 -4.880 5.064 1.00 0.40 H new ATOM 0 HA ILE A 22 20.132 -7.658 5.604 1.00 0.43 H new ATOM 0 HB ILE A 22 20.441 -6.301 7.533 1.00 0.56 H new ATOM 0 HG12 ILE A 22 18.148 -6.306 8.573 1.00 0.63 H new ATOM 0 HG13 ILE A 22 17.474 -6.667 6.996 1.00 0.63 H new ATOM 0 HG21 ILE A 22 19.159 -4.234 7.969 1.00 0.67 H new ATOM 0 HG22 ILE A 22 20.210 -4.086 6.540 1.00 0.67 H new ATOM 0 HG23 ILE A 22 18.460 -4.337 6.335 1.00 0.67 H new ATOM 0 HD11 ILE A 22 17.697 -8.695 8.339 1.00 0.66 H new ATOM 0 HD12 ILE A 22 18.759 -8.770 6.913 1.00 0.66 H new ATOM 0 HD13 ILE A 22 19.444 -8.404 8.515 1.00 0.66 H new ATOM 342 N LEU A 23 17.952 -7.775 4.428 1.00 0.41 N ATOM 343 CA LEU A 23 16.726 -7.878 3.652 1.00 0.47 C ATOM 344 C LEU A 23 15.569 -8.293 4.552 1.00 0.50 C ATOM 345 O LEU A 23 14.694 -7.494 4.879 1.00 0.67 O ATOM 346 CB LEU A 23 16.878 -8.887 2.498 1.00 0.54 C ATOM 347 CG LEU A 23 17.810 -8.483 1.350 1.00 0.53 C ATOM 348 CD1 LEU A 23 17.406 -7.138 0.775 1.00 0.83 C ATOM 349 CD2 LEU A 23 19.267 -8.472 1.792 1.00 0.64 C ATOM 0 H LEU A 23 18.341 -8.670 4.726 1.00 0.41 H new ATOM 0 HA LEU A 23 16.518 -6.898 3.223 1.00 0.47 H new ATOM 0 HB2 LEU A 23 17.238 -9.828 2.914 1.00 0.54 H new ATOM 0 HB3 LEU A 23 15.889 -9.080 2.082 1.00 0.54 H new ATOM 0 HG LEU A 23 17.712 -9.232 0.565 1.00 0.53 H new ATOM 0 HD11 LEU A 23 18.082 -6.872 -0.038 1.00 0.83 H new ATOM 0 HD12 LEU A 23 16.386 -7.196 0.395 1.00 0.83 H new ATOM 0 HD13 LEU A 23 17.460 -6.378 1.555 1.00 0.83 H new ATOM 0 HD21 LEU A 23 19.899 -8.181 0.953 1.00 0.64 H new ATOM 0 HD22 LEU A 23 19.395 -7.759 2.607 1.00 0.64 H new ATOM 0 HD23 LEU A 23 19.551 -9.468 2.133 1.00 0.64 H new ATOM 361 N LYS A 24 15.575 -9.552 4.955 1.00 0.49 N ATOM 362 CA LYS A 24 14.552 -10.063 5.847 1.00 0.60 C ATOM 363 C LYS A 24 15.157 -10.291 7.219 1.00 0.60 C ATOM 364 O LYS A 24 15.886 -11.261 7.424 1.00 0.76 O ATOM 365 CB LYS A 24 13.957 -11.370 5.313 1.00 0.78 C ATOM 366 CG LYS A 24 12.582 -11.683 5.885 1.00 1.05 C ATOM 367 CD LYS A 24 12.156 -13.111 5.592 1.00 1.11 C ATOM 368 CE LYS A 24 12.782 -14.087 6.573 1.00 1.12 C ATOM 369 NZ LYS A 24 12.407 -15.491 6.270 1.00 1.56 N ATOM 0 H LYS A 24 16.277 -10.238 4.678 1.00 0.49 H new ATOM 0 HA LYS A 24 13.747 -9.331 5.913 1.00 0.60 H new ATOM 0 HB2 LYS A 24 13.886 -11.312 4.227 1.00 0.78 H new ATOM 0 HB3 LYS A 24 14.635 -12.191 5.545 1.00 0.78 H new ATOM 0 HG2 LYS A 24 12.592 -11.522 6.963 1.00 1.05 H new ATOM 0 HG3 LYS A 24 11.849 -10.993 5.466 1.00 1.05 H new ATOM 0 HD2 LYS A 24 11.070 -13.186 5.644 1.00 1.11 H new ATOM 0 HD3 LYS A 24 12.446 -13.378 4.576 1.00 1.11 H new ATOM 0 HE2 LYS A 24 13.867 -13.986 6.543 1.00 1.12 H new ATOM 0 HE3 LYS A 24 12.466 -13.837 7.586 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 12.854 -16.127 6.961 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 11.373 -15.593 6.323 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 12.731 -15.738 5.313 1.00 1.56 H new ATOM 383 N LYS A 25 14.873 -9.386 8.144 1.00 0.61 N ATOM 384 CA LYS A 25 15.451 -9.470 9.473 1.00 0.64 C ATOM 385 C LYS A 25 14.810 -10.619 10.245 1.00 0.72 C ATOM 386 O LYS A 25 13.704 -11.058 9.912 1.00 0.90 O ATOM 387 CB LYS A 25 15.285 -8.141 10.218 1.00 0.76 C ATOM 388 CG LYS A 25 16.241 -7.980 11.389 1.00 1.52 C ATOM 389 CD LYS A 25 16.303 -6.540 11.867 1.00 1.72 C ATOM 390 CE LYS A 25 17.352 -6.356 12.955 1.00 2.60 C ATOM 391 NZ LYS A 25 17.505 -4.930 13.350 1.00 2.95 N ATOM 0 H LYS A 25 14.250 -8.591 7.999 1.00 0.61 H new ATOM 0 HA LYS A 25 16.519 -9.668 9.385 1.00 0.64 H new ATOM 0 HB2 LYS A 25 15.438 -7.319 9.518 1.00 0.76 H new ATOM 0 HB3 LYS A 25 14.261 -8.063 10.582 1.00 0.76 H new ATOM 0 HG2 LYS A 25 15.923 -8.623 12.210 1.00 1.52 H new ATOM 0 HG3 LYS A 25 17.237 -8.309 11.094 1.00 1.52 H new ATOM 0 HD2 LYS A 25 16.532 -5.886 11.026 1.00 1.72 H new ATOM 0 HD3 LYS A 25 15.327 -6.240 12.247 1.00 1.72 H new ATOM 0 HE2 LYS A 25 17.075 -6.946 13.829 1.00 2.60 H new ATOM 0 HE3 LYS A 25 18.310 -6.739 12.603 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 18.229 -4.851 14.093 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 17.795 -4.370 12.523 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 16.598 -4.571 13.711 1.00 2.95 H new ATOM 405 N GLY A 26 15.520 -11.112 11.252 1.00 0.69 N ATOM 406 CA GLY A 26 15.084 -12.282 11.988 1.00 0.85 C ATOM 407 C GLY A 26 13.870 -12.057 12.867 1.00 0.88 C ATOM 408 O GLY A 26 12.902 -11.407 12.475 1.00 1.32 O ATOM 0 H GLY A 26 16.402 -10.715 11.575 1.00 0.69 H new ATOM 0 HA2 GLY A 26 14.860 -13.079 11.279 1.00 0.85 H new ATOM 0 HA3 GLY A 26 15.908 -12.631 12.611 1.00 0.85 H new ATOM 412 N ASP A 27 13.937 -12.598 14.074 1.00 0.84 N ATOM 413 CA ASP A 27 12.796 -12.653 14.963 1.00 1.01 C ATOM 414 C ASP A 27 13.308 -13.038 16.344 1.00 0.93 C ATOM 415 O ASP A 27 14.513 -12.962 16.596 1.00 1.24 O ATOM 416 CB ASP A 27 11.779 -13.682 14.435 1.00 1.33 C ATOM 417 CG ASP A 27 10.415 -13.587 15.097 1.00 2.08 C ATOM 418 OD1 ASP A 27 9.568 -12.815 14.614 1.00 2.38 O ATOM 419 OD2 ASP A 27 10.180 -14.302 16.094 1.00 2.77 O ATOM 0 H ASP A 27 14.786 -13.010 14.461 1.00 0.84 H new ATOM 0 HA ASP A 27 12.289 -11.689 15.017 1.00 1.01 H new ATOM 0 HB2 ASP A 27 11.662 -13.545 13.360 1.00 1.33 H new ATOM 0 HB3 ASP A 27 12.178 -14.685 14.587 1.00 1.33 H new ATOM 424 N GLU A 28 12.426 -13.476 17.214 1.00 0.91 N ATOM 425 CA GLU A 28 12.794 -13.792 18.577 1.00 0.91 C ATOM 426 C GLU A 28 13.495 -15.147 18.647 1.00 0.96 C ATOM 427 O GLU A 28 12.978 -16.160 18.172 1.00 1.22 O ATOM 428 CB GLU A 28 11.542 -13.771 19.442 1.00 1.11 C ATOM 429 CG GLU A 28 11.806 -13.903 20.933 1.00 1.59 C ATOM 430 CD GLU A 28 10.549 -13.711 21.754 1.00 2.09 C ATOM 431 OE1 GLU A 28 9.625 -14.542 21.636 1.00 2.56 O ATOM 432 OE2 GLU A 28 10.485 -12.738 22.529 1.00 2.64 O ATOM 0 H GLU A 28 11.440 -13.623 17.000 1.00 0.91 H new ATOM 0 HA GLU A 28 13.497 -13.047 18.950 1.00 0.91 H new ATOM 0 HB2 GLU A 28 11.006 -12.839 19.261 1.00 1.11 H new ATOM 0 HB3 GLU A 28 10.885 -14.582 19.129 1.00 1.11 H new ATOM 0 HG2 GLU A 28 12.227 -14.887 21.140 1.00 1.59 H new ATOM 0 HG3 GLU A 28 12.551 -13.167 21.235 1.00 1.59 H new ATOM 439 N GLY A 29 14.682 -15.148 19.225 1.00 0.88 N ATOM 440 CA GLY A 29 15.479 -16.349 19.308 1.00 1.04 C ATOM 441 C GLY A 29 16.918 -16.010 19.596 1.00 0.79 C ATOM 442 O GLY A 29 17.781 -16.160 18.736 1.00 0.90 O ATOM 0 H GLY A 29 15.113 -14.324 19.645 1.00 0.88 H new ATOM 0 HA2 GLY A 29 15.088 -16.998 20.092 1.00 1.04 H new ATOM 0 HA3 GLY A 29 15.410 -16.903 18.372 1.00 1.04 H new ATOM 446 N GLU A 30 17.166 -15.544 20.812 1.00 0.73 N ATOM 447 CA GLU A 30 18.483 -15.048 21.196 1.00 0.80 C ATOM 448 C GLU A 30 19.464 -16.200 21.401 1.00 0.78 C ATOM 449 O GLU A 30 20.678 -16.022 21.316 1.00 0.96 O ATOM 450 CB GLU A 30 18.374 -14.200 22.464 1.00 1.08 C ATOM 451 CG GLU A 30 19.628 -13.405 22.782 1.00 1.35 C ATOM 452 CD GLU A 30 19.422 -12.454 23.934 1.00 1.68 C ATOM 453 OE1 GLU A 30 18.704 -11.449 23.756 1.00 1.89 O ATOM 454 OE2 GLU A 30 19.977 -12.707 25.021 1.00 2.29 O ATOM 0 H GLU A 30 16.468 -15.498 21.555 1.00 0.73 H new ATOM 0 HA GLU A 30 18.866 -14.425 20.388 1.00 0.80 H new ATOM 0 HB2 GLU A 30 17.536 -13.511 22.358 1.00 1.08 H new ATOM 0 HB3 GLU A 30 18.146 -14.852 23.307 1.00 1.08 H new ATOM 0 HG2 GLU A 30 20.441 -14.091 23.020 1.00 1.35 H new ATOM 0 HG3 GLU A 30 19.934 -12.843 21.899 1.00 1.35 H new ATOM 461 N GLU A 31 18.932 -17.386 21.664 1.00 0.76 N ATOM 462 CA GLU A 31 19.761 -18.575 21.790 1.00 0.86 C ATOM 463 C GLU A 31 19.938 -19.217 20.413 1.00 0.78 C ATOM 464 O GLU A 31 20.585 -20.250 20.262 1.00 1.11 O ATOM 465 CB GLU A 31 19.119 -19.555 22.774 1.00 1.09 C ATOM 466 CG GLU A 31 20.059 -20.644 23.263 1.00 1.56 C ATOM 467 CD GLU A 31 19.432 -21.527 24.322 1.00 2.17 C ATOM 468 OE1 GLU A 31 19.095 -21.016 25.409 1.00 2.54 O ATOM 469 OE2 GLU A 31 19.286 -22.744 24.077 1.00 2.64 O ATOM 0 H GLU A 31 17.934 -17.549 21.794 1.00 0.76 H new ATOM 0 HA GLU A 31 20.743 -18.302 22.176 1.00 0.86 H new ATOM 0 HB2 GLU A 31 18.746 -18.999 23.634 1.00 1.09 H new ATOM 0 HB3 GLU A 31 18.257 -20.021 22.297 1.00 1.09 H new ATOM 0 HG2 GLU A 31 20.366 -21.260 22.418 1.00 1.56 H new ATOM 0 HG3 GLU A 31 20.961 -20.185 23.667 1.00 1.56 H new ATOM 476 N ASN A 32 19.349 -18.585 19.404 1.00 0.51 N ATOM 477 CA ASN A 32 19.487 -19.043 18.030 1.00 0.55 C ATOM 478 C ASN A 32 20.430 -18.108 17.281 1.00 0.49 C ATOM 479 O ASN A 32 19.984 -17.260 16.506 1.00 0.57 O ATOM 480 CB ASN A 32 18.125 -19.073 17.320 1.00 0.71 C ATOM 481 CG ASN A 32 17.082 -19.914 18.040 1.00 0.95 C ATOM 482 OD1 ASN A 32 17.513 -20.972 18.714 1.00 1.45 O flip ATOM 483 ND2 ASN A 32 15.890 -19.612 17.984 1.00 1.19 N flip ATOM 0 H ASN A 32 18.770 -17.752 19.514 1.00 0.51 H new ATOM 0 HA ASN A 32 19.891 -20.055 18.040 1.00 0.55 H new ATOM 0 HB2 ASN A 32 17.753 -18.053 17.222 1.00 0.71 H new ATOM 0 HB3 ASN A 32 18.259 -19.462 16.310 1.00 0.71 H new ATOM 0 HD21 ASN A 32 15.596 -18.791 17.455 1.00 1.19 H new ATOM 0 HD22 ASN A 32 15.196 -20.183 18.466 1.00 1.19 H new ATOM 490 N ILE A 33 21.730 -18.256 17.523 1.00 0.47 N ATOM 491 CA ILE A 33 22.721 -17.342 16.967 1.00 0.51 C ATOM 492 C ILE A 33 23.939 -18.103 16.440 1.00 0.44 C ATOM 493 O ILE A 33 24.494 -18.967 17.122 1.00 0.47 O ATOM 494 CB ILE A 33 23.180 -16.300 18.027 1.00 0.66 C ATOM 495 CG1 ILE A 33 22.031 -15.346 18.381 1.00 0.74 C ATOM 496 CG2 ILE A 33 24.391 -15.509 17.541 1.00 0.76 C ATOM 497 CD1 ILE A 33 21.561 -14.491 17.225 1.00 0.81 C ATOM 0 H ILE A 33 22.121 -19.001 18.101 1.00 0.47 H new ATOM 0 HA ILE A 33 22.246 -16.818 16.138 1.00 0.51 H new ATOM 0 HB ILE A 33 23.471 -16.848 18.923 1.00 0.66 H new ATOM 0 HG12 ILE A 33 21.189 -15.930 18.753 1.00 0.74 H new ATOM 0 HG13 ILE A 33 22.351 -14.695 19.194 1.00 0.74 H new ATOM 0 HG21 ILE A 33 24.686 -14.790 18.305 1.00 0.76 H new ATOM 0 HG22 ILE A 33 25.218 -16.192 17.347 1.00 0.76 H new ATOM 0 HG23 ILE A 33 24.135 -14.979 16.623 1.00 0.76 H new ATOM 0 HD11 ILE A 33 20.748 -13.845 17.557 1.00 0.81 H new ATOM 0 HD12 ILE A 33 22.388 -13.878 16.866 1.00 0.81 H new ATOM 0 HD13 ILE A 33 21.208 -15.133 16.418 1.00 0.81 H new ATOM 509 N PRO A 34 24.352 -17.803 15.202 1.00 0.46 N ATOM 510 CA PRO A 34 25.558 -18.380 14.600 1.00 0.44 C ATOM 511 C PRO A 34 26.832 -17.755 15.187 1.00 0.52 C ATOM 512 O PRO A 34 26.926 -16.535 15.322 1.00 0.75 O ATOM 513 CB PRO A 34 25.420 -18.013 13.126 1.00 0.51 C ATOM 514 CG PRO A 34 24.633 -16.752 13.133 1.00 0.54 C ATOM 515 CD PRO A 34 23.673 -16.871 14.283 1.00 0.62 C ATOM 0 HA PRO A 34 25.644 -19.452 14.779 1.00 0.44 H new ATOM 0 HB2 PRO A 34 26.394 -17.871 12.659 1.00 0.51 H new ATOM 0 HB3 PRO A 34 24.910 -18.797 12.567 1.00 0.51 H new ATOM 0 HG2 PRO A 34 25.284 -15.886 13.256 1.00 0.54 H new ATOM 0 HG3 PRO A 34 24.100 -16.619 12.192 1.00 0.54 H new ATOM 0 HD2 PRO A 34 23.489 -15.905 14.754 1.00 0.62 H new ATOM 0 HD3 PRO A 34 22.706 -17.258 13.961 1.00 0.62 H new ATOM 523 N LYS A 35 27.807 -18.585 15.540 1.00 0.49 N ATOM 524 CA LYS A 35 29.055 -18.093 16.122 1.00 0.60 C ATOM 525 C LYS A 35 30.250 -18.765 15.467 1.00 0.56 C ATOM 526 O LYS A 35 30.197 -19.953 15.143 1.00 0.58 O ATOM 527 CB LYS A 35 29.091 -18.354 17.633 1.00 0.83 C ATOM 528 CG LYS A 35 28.010 -17.628 18.427 1.00 1.17 C ATOM 529 CD LYS A 35 28.216 -16.118 18.442 1.00 1.46 C ATOM 530 CE LYS A 35 29.529 -15.742 19.108 1.00 1.98 C ATOM 531 NZ LYS A 35 29.616 -14.283 19.391 1.00 2.66 N ATOM 0 H LYS A 35 27.760 -19.598 15.435 1.00 0.49 H new ATOM 0 HA LYS A 35 29.104 -17.019 15.945 1.00 0.60 H new ATOM 0 HB2 LYS A 35 28.993 -19.426 17.806 1.00 0.83 H new ATOM 0 HB3 LYS A 35 30.067 -18.057 18.017 1.00 0.83 H new ATOM 0 HG2 LYS A 35 27.034 -17.855 17.998 1.00 1.17 H new ATOM 0 HG3 LYS A 35 28.003 -18.001 19.451 1.00 1.17 H new ATOM 0 HD2 LYS A 35 28.203 -15.738 17.421 1.00 1.46 H new ATOM 0 HD3 LYS A 35 27.390 -15.642 18.970 1.00 1.46 H new ATOM 0 HE2 LYS A 35 29.635 -16.298 20.039 1.00 1.98 H new ATOM 0 HE3 LYS A 35 30.358 -16.036 18.465 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 30.527 -14.071 19.845 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 29.541 -13.752 18.500 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 28.840 -14.006 20.026 1.00 2.66 H new ATOM 545 N LYS A 36 31.319 -18.000 15.261 1.00 0.67 N ATOM 546 CA LYS A 36 32.564 -18.543 14.725 1.00 0.82 C ATOM 547 C LYS A 36 33.063 -19.692 15.595 1.00 0.84 C ATOM 548 O LYS A 36 33.190 -19.557 16.814 1.00 0.91 O ATOM 549 CB LYS A 36 33.624 -17.431 14.609 1.00 1.09 C ATOM 550 CG LYS A 36 35.064 -17.922 14.507 1.00 1.26 C ATOM 551 CD LYS A 36 35.277 -18.811 13.293 1.00 1.36 C ATOM 552 CE LYS A 36 36.696 -19.358 13.232 1.00 2.14 C ATOM 553 NZ LYS A 36 37.696 -18.303 12.919 1.00 2.51 N ATOM 0 H LYS A 36 31.348 -17.000 15.458 1.00 0.67 H new ATOM 0 HA LYS A 36 32.376 -18.937 13.726 1.00 0.82 H new ATOM 0 HB2 LYS A 36 33.399 -16.826 13.731 1.00 1.09 H new ATOM 0 HB3 LYS A 36 33.539 -16.777 15.477 1.00 1.09 H new ATOM 0 HG2 LYS A 36 35.736 -17.066 14.452 1.00 1.26 H new ATOM 0 HG3 LYS A 36 35.324 -18.474 15.411 1.00 1.26 H new ATOM 0 HD2 LYS A 36 34.569 -19.640 13.321 1.00 1.36 H new ATOM 0 HD3 LYS A 36 35.067 -18.244 12.386 1.00 1.36 H new ATOM 0 HE2 LYS A 36 36.946 -19.820 14.187 1.00 2.14 H new ATOM 0 HE3 LYS A 36 36.749 -20.141 12.476 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 38.398 -18.678 12.250 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 37.215 -17.484 12.494 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 38.175 -18.008 13.794 1.00 2.51 H new ATOM 567 N GLY A 37 33.329 -20.822 14.951 1.00 0.92 N ATOM 568 CA GLY A 37 33.755 -22.013 15.658 1.00 1.04 C ATOM 569 C GLY A 37 32.657 -23.053 15.721 1.00 0.96 C ATOM 570 O GLY A 37 32.932 -24.251 15.827 1.00 1.12 O ATOM 0 H GLY A 37 33.256 -20.934 13.940 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.629 -22.437 15.163 1.00 1.04 H new ATOM 0 HA3 GLY A 37 34.060 -21.745 16.670 1.00 1.04 H new ATOM 574 N ASN A 38 31.413 -22.598 15.634 1.00 0.79 N ATOM 575 CA ASN A 38 30.265 -23.496 15.676 1.00 0.75 C ATOM 576 C ASN A 38 29.835 -23.869 14.266 1.00 0.72 C ATOM 577 O ASN A 38 30.245 -23.232 13.292 1.00 0.79 O ATOM 578 CB ASN A 38 29.091 -22.852 16.421 1.00 0.75 C ATOM 579 CG ASN A 38 29.418 -22.515 17.864 1.00 0.87 C ATOM 580 OD1 ASN A 38 28.727 -21.529 18.418 1.00 1.38 O flip ATOM 581 ND2 ASN A 38 30.269 -23.145 18.486 1.00 0.98 N flip ATOM 0 H ASN A 38 31.173 -21.612 15.534 1.00 0.79 H new ATOM 0 HA ASN A 38 30.563 -24.397 16.212 1.00 0.75 H new ATOM 0 HB2 ASN A 38 28.792 -21.942 15.900 1.00 0.75 H new ATOM 0 HB3 ASN A 38 28.237 -23.529 16.396 1.00 0.75 H new ATOM 0 HD21 ASN A 38 30.782 -23.898 18.028 1.00 0.98 H new ATOM 0 HD22 ASN A 38 30.463 -22.915 19.461 1.00 0.98 H new ATOM 588 N GLU A 39 29.005 -24.893 14.156 1.00 0.71 N ATOM 589 CA GLU A 39 28.566 -25.369 12.856 1.00 0.73 C ATOM 590 C GLU A 39 27.364 -24.590 12.344 1.00 0.63 C ATOM 591 O GLU A 39 26.386 -24.380 13.065 1.00 0.69 O ATOM 592 CB GLU A 39 28.210 -26.851 12.896 1.00 0.86 C ATOM 593 CG GLU A 39 29.392 -27.776 13.114 1.00 1.37 C ATOM 594 CD GLU A 39 29.023 -29.222 12.872 1.00 1.73 C ATOM 595 OE1 GLU A 39 29.045 -29.651 11.697 1.00 2.20 O ATOM 596 OE2 GLU A 39 28.686 -29.924 13.847 1.00 2.17 O ATOM 0 H GLU A 39 28.623 -25.409 14.949 1.00 0.71 H new ATOM 0 HA GLU A 39 29.404 -25.215 12.177 1.00 0.73 H new ATOM 0 HB2 GLU A 39 27.484 -27.016 13.692 1.00 0.86 H new ATOM 0 HB3 GLU A 39 27.722 -27.120 11.959 1.00 0.86 H new ATOM 0 HG2 GLU A 39 30.205 -27.491 12.446 1.00 1.37 H new ATOM 0 HG3 GLU A 39 29.761 -27.660 14.133 1.00 1.37 H new ATOM 603 N VAL A 40 27.450 -24.171 11.092 1.00 0.60 N ATOM 604 CA VAL A 40 26.328 -23.577 10.391 1.00 0.54 C ATOM 605 C VAL A 40 26.182 -24.256 9.036 1.00 0.54 C ATOM 606 O VAL A 40 27.161 -24.757 8.487 1.00 0.67 O ATOM 607 CB VAL A 40 26.492 -22.051 10.189 1.00 0.57 C ATOM 608 CG1 VAL A 40 26.599 -21.338 11.532 1.00 0.61 C ATOM 609 CG2 VAL A 40 27.700 -21.741 9.313 1.00 0.67 C ATOM 0 H VAL A 40 28.302 -24.234 10.534 1.00 0.60 H new ATOM 0 HA VAL A 40 25.437 -23.725 11.001 1.00 0.54 H new ATOM 0 HB VAL A 40 25.604 -21.682 9.676 1.00 0.57 H new ATOM 0 HG11 VAL A 40 26.714 -20.267 11.367 1.00 0.61 H new ATOM 0 HG12 VAL A 40 25.696 -21.521 12.114 1.00 0.61 H new ATOM 0 HG13 VAL A 40 27.464 -21.716 12.077 1.00 0.61 H new ATOM 0 HG21 VAL A 40 27.791 -20.662 9.188 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.602 -22.129 9.786 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.572 -22.210 8.337 1.00 0.67 H new ATOM 619 N THR A 41 24.967 -24.311 8.525 1.00 0.46 N ATOM 620 CA THR A 41 24.718 -24.885 7.214 1.00 0.48 C ATOM 621 C THR A 41 23.975 -23.882 6.343 1.00 0.42 C ATOM 622 O THR A 41 22.789 -23.614 6.556 1.00 0.44 O ATOM 623 CB THR A 41 23.905 -26.188 7.322 1.00 0.56 C ATOM 624 OG1 THR A 41 24.533 -27.063 8.266 1.00 0.65 O ATOM 625 CG2 THR A 41 23.805 -26.885 5.971 1.00 0.63 C ATOM 0 H THR A 41 24.133 -23.964 8.999 1.00 0.46 H new ATOM 0 HA THR A 41 25.680 -25.122 6.758 1.00 0.48 H new ATOM 0 HB THR A 41 22.897 -25.940 7.655 1.00 0.56 H new ATOM 0 HG1 THR A 41 24.016 -27.892 8.337 1.00 0.65 H new ATOM 0 HG21 THR A 41 23.226 -27.802 6.077 1.00 0.63 H new ATOM 0 HG22 THR A 41 23.313 -26.225 5.257 1.00 0.63 H new ATOM 0 HG23 THR A 41 24.805 -27.127 5.612 1.00 0.63 H new ATOM 633 N VAL A 42 24.687 -23.306 5.387 1.00 0.40 N ATOM 634 CA VAL A 42 24.121 -22.282 4.529 1.00 0.42 C ATOM 635 C VAL A 42 24.403 -22.570 3.060 1.00 0.43 C ATOM 636 O VAL A 42 25.299 -23.343 2.727 1.00 0.49 O ATOM 637 CB VAL A 42 24.679 -20.886 4.874 1.00 0.46 C ATOM 638 CG1 VAL A 42 24.341 -20.506 6.303 1.00 0.80 C ATOM 639 CG2 VAL A 42 26.181 -20.837 4.642 1.00 0.87 C ATOM 0 H VAL A 42 25.661 -23.533 5.187 1.00 0.40 H new ATOM 0 HA VAL A 42 23.045 -22.294 4.701 1.00 0.42 H new ATOM 0 HB VAL A 42 24.208 -20.159 4.213 1.00 0.46 H new ATOM 0 HG11 VAL A 42 24.745 -19.518 6.522 1.00 0.80 H new ATOM 0 HG12 VAL A 42 23.258 -20.491 6.429 1.00 0.80 H new ATOM 0 HG13 VAL A 42 24.776 -21.236 6.986 1.00 0.80 H new ATOM 0 HG21 VAL A 42 26.555 -19.844 4.891 1.00 0.87 H new ATOM 0 HG22 VAL A 42 26.671 -21.578 5.273 1.00 0.87 H new ATOM 0 HG23 VAL A 42 26.395 -21.053 3.595 1.00 0.87 H new ATOM 649 N HIS A 43 23.620 -21.953 2.191 1.00 0.44 N ATOM 650 CA HIS A 43 23.860 -22.011 0.756 1.00 0.49 C ATOM 651 C HIS A 43 24.226 -20.622 0.269 1.00 0.47 C ATOM 652 O HIS A 43 23.826 -19.634 0.882 1.00 0.53 O ATOM 653 CB HIS A 43 22.616 -22.497 -0.003 1.00 0.64 C ATOM 654 CG HIS A 43 22.155 -23.875 0.357 1.00 1.16 C ATOM 655 ND1 HIS A 43 20.828 -24.244 0.340 1.00 2.00 N ATOM 656 CD2 HIS A 43 22.847 -24.980 0.716 1.00 2.04 C ATOM 657 CE1 HIS A 43 20.723 -25.516 0.673 1.00 2.74 C ATOM 658 NE2 HIS A 43 21.934 -25.989 0.907 1.00 2.75 N ATOM 0 H HIS A 43 22.805 -21.401 2.456 1.00 0.44 H new ATOM 0 HA HIS A 43 24.669 -22.717 0.568 1.00 0.49 H new ATOM 0 HB2 HIS A 43 21.800 -21.798 0.180 1.00 0.64 H new ATOM 0 HB3 HIS A 43 22.826 -22.468 -1.072 1.00 0.64 H new ATOM 0 HD2 HIS A 43 23.918 -25.055 0.831 1.00 2.04 H new ATOM 0 HE1 HIS A 43 19.802 -26.076 0.743 1.00 2.74 H new ATOM 0 HE2 HIS A 43 22.155 -26.946 1.184 1.00 2.75 H new ATOM 667 N TYR A 44 24.990 -20.544 -0.809 1.00 0.44 N ATOM 668 CA TYR A 44 25.309 -19.258 -1.410 1.00 0.42 C ATOM 669 C TYR A 44 24.988 -19.278 -2.903 1.00 0.41 C ATOM 670 O TYR A 44 25.321 -20.231 -3.610 1.00 0.47 O ATOM 671 CB TYR A 44 26.780 -18.878 -1.164 1.00 0.46 C ATOM 672 CG TYR A 44 27.796 -19.722 -1.905 1.00 0.50 C ATOM 673 CD1 TYR A 44 28.152 -20.983 -1.447 1.00 0.52 C ATOM 674 CD2 TYR A 44 28.402 -19.249 -3.062 1.00 0.60 C ATOM 675 CE1 TYR A 44 29.086 -21.747 -2.119 1.00 0.60 C ATOM 676 CE2 TYR A 44 29.335 -20.006 -3.740 1.00 0.68 C ATOM 677 CZ TYR A 44 29.673 -21.254 -3.266 1.00 0.66 C ATOM 678 OH TYR A 44 30.603 -22.012 -3.939 1.00 0.76 O ATOM 0 H TYR A 44 25.398 -21.349 -1.283 1.00 0.44 H new ATOM 0 HA TYR A 44 24.692 -18.495 -0.935 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.922 -17.835 -1.448 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.983 -18.948 -0.095 1.00 0.46 H new ATOM 0 HD1 TYR A 44 27.692 -21.373 -0.551 1.00 0.52 H new ATOM 0 HD2 TYR A 44 28.138 -18.271 -3.437 1.00 0.60 H new ATOM 0 HE1 TYR A 44 29.355 -22.725 -1.749 1.00 0.60 H new ATOM 0 HE2 TYR A 44 29.798 -19.622 -4.637 1.00 0.68 H new ATOM 0 HH TYR A 44 30.918 -21.520 -4.726 1.00 0.76 H new ATOM 688 N VAL A 45 24.306 -18.240 -3.359 1.00 0.35 N ATOM 689 CA VAL A 45 23.930 -18.108 -4.761 1.00 0.36 C ATOM 690 C VAL A 45 23.496 -16.666 -5.021 1.00 0.30 C ATOM 691 O VAL A 45 23.154 -15.953 -4.085 1.00 0.30 O ATOM 692 CB VAL A 45 22.785 -19.090 -5.132 1.00 0.44 C ATOM 693 CG1 VAL A 45 21.492 -18.727 -4.411 1.00 0.47 C ATOM 694 CG2 VAL A 45 22.572 -19.149 -6.637 1.00 0.49 C ATOM 0 H VAL A 45 23.997 -17.466 -2.771 1.00 0.35 H new ATOM 0 HA VAL A 45 24.789 -18.357 -5.384 1.00 0.36 H new ATOM 0 HB VAL A 45 23.085 -20.084 -4.800 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.709 -19.432 -4.691 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.652 -18.771 -3.334 1.00 0.47 H new ATOM 0 HG13 VAL A 45 21.189 -17.718 -4.692 1.00 0.47 H new ATOM 0 HG21 VAL A 45 21.764 -19.845 -6.863 1.00 0.49 H new ATOM 0 HG22 VAL A 45 22.311 -18.157 -7.007 1.00 0.49 H new ATOM 0 HG23 VAL A 45 23.488 -19.487 -7.121 1.00 0.49 H new ATOM 704 N GLY A 46 23.539 -16.226 -6.267 1.00 0.31 N ATOM 705 CA GLY A 46 23.141 -14.867 -6.570 1.00 0.30 C ATOM 706 C GLY A 46 23.507 -14.461 -7.979 1.00 0.30 C ATOM 707 O GLY A 46 23.178 -15.163 -8.940 1.00 0.36 O ATOM 0 H GLY A 46 23.840 -16.779 -7.069 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.064 -14.768 -6.434 1.00 0.30 H new ATOM 0 HA3 GLY A 46 23.616 -14.186 -5.863 1.00 0.30 H new ATOM 711 N LYS A 47 24.200 -13.337 -8.105 1.00 0.27 N ATOM 712 CA LYS A 47 24.576 -12.814 -9.409 1.00 0.29 C ATOM 713 C LYS A 47 25.879 -12.029 -9.313 1.00 0.25 C ATOM 714 O LYS A 47 26.344 -11.705 -8.219 1.00 0.26 O ATOM 715 CB LYS A 47 23.458 -11.921 -9.968 1.00 0.36 C ATOM 716 CG LYS A 47 23.282 -10.606 -9.226 1.00 0.42 C ATOM 717 CD LYS A 47 22.080 -9.827 -9.741 1.00 0.66 C ATOM 718 CE LYS A 47 22.015 -8.439 -9.126 1.00 0.83 C ATOM 719 NZ LYS A 47 20.750 -7.738 -9.468 1.00 1.43 N ATOM 0 H LYS A 47 24.513 -12.770 -7.317 1.00 0.27 H new ATOM 0 HA LYS A 47 24.726 -13.654 -10.088 1.00 0.29 H new ATOM 0 HB2 LYS A 47 23.668 -11.709 -11.016 1.00 0.36 H new ATOM 0 HB3 LYS A 47 22.518 -12.472 -9.936 1.00 0.36 H new ATOM 0 HG2 LYS A 47 23.159 -10.802 -8.161 1.00 0.42 H new ATOM 0 HG3 LYS A 47 24.182 -10.002 -9.337 1.00 0.42 H new ATOM 0 HD2 LYS A 47 22.136 -9.744 -10.826 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.165 -10.372 -9.510 1.00 0.66 H new ATOM 0 HE2 LYS A 47 22.104 -8.518 -8.043 1.00 0.83 H new ATOM 0 HE3 LYS A 47 22.862 -7.848 -9.474 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 20.746 -6.795 -9.029 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 20.676 -7.639 -10.501 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 19.942 -8.288 -9.114 1.00 1.43 H new ATOM 733 N LEU A 48 26.469 -11.737 -10.460 1.00 0.27 N ATOM 734 CA LEU A 48 27.673 -10.926 -10.511 1.00 0.26 C ATOM 735 C LEU A 48 27.297 -9.451 -10.546 1.00 0.25 C ATOM 736 O LEU A 48 26.904 -8.938 -11.590 1.00 0.27 O ATOM 737 CB LEU A 48 28.507 -11.290 -11.743 1.00 0.29 C ATOM 738 CG LEU A 48 29.765 -10.442 -11.960 1.00 0.32 C ATOM 739 CD1 LEU A 48 30.730 -10.607 -10.795 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.437 -10.818 -13.271 1.00 0.38 C ATOM 0 H LEU A 48 26.132 -12.051 -11.370 1.00 0.27 H new ATOM 0 HA LEU A 48 28.270 -11.120 -9.620 1.00 0.26 H new ATOM 0 HB2 LEU A 48 28.804 -12.336 -11.664 1.00 0.29 H new ATOM 0 HB3 LEU A 48 27.875 -11.204 -12.627 1.00 0.29 H new ATOM 0 HG LEU A 48 29.471 -9.394 -12.012 1.00 0.32 H new ATOM 0 HD11 LEU A 48 31.617 -9.997 -10.968 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.245 -10.288 -9.873 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.021 -11.654 -10.709 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.329 -10.207 -13.411 1.00 0.38 H new ATOM 0 HD22 LEU A 48 30.718 -11.871 -13.247 1.00 0.38 H new ATOM 0 HD23 LEU A 48 29.746 -10.646 -14.096 1.00 0.38 H new ATOM 752 N GLU A 49 27.415 -8.778 -9.403 1.00 0.29 N ATOM 753 CA GLU A 49 27.016 -7.374 -9.283 1.00 0.36 C ATOM 754 C GLU A 49 27.795 -6.478 -10.245 1.00 0.34 C ATOM 755 O GLU A 49 27.319 -5.411 -10.640 1.00 0.41 O ATOM 756 CB GLU A 49 27.186 -6.886 -7.837 1.00 0.50 C ATOM 757 CG GLU A 49 27.102 -5.372 -7.693 1.00 0.63 C ATOM 758 CD GLU A 49 26.777 -4.911 -6.288 1.00 1.20 C ATOM 759 OE1 GLU A 49 27.401 -5.398 -5.323 1.00 1.96 O ATOM 760 OE2 GLU A 49 25.875 -4.061 -6.146 1.00 1.75 O ATOM 0 H GLU A 49 27.785 -9.183 -8.543 1.00 0.29 H new ATOM 0 HA GLU A 49 25.962 -7.310 -9.555 1.00 0.36 H new ATOM 0 HB2 GLU A 49 26.418 -7.345 -7.214 1.00 0.50 H new ATOM 0 HB3 GLU A 49 28.150 -7.226 -7.458 1.00 0.50 H new ATOM 0 HG2 GLU A 49 28.052 -4.934 -7.999 1.00 0.63 H new ATOM 0 HG3 GLU A 49 26.341 -4.993 -8.375 1.00 0.63 H new ATOM 767 N SER A 50 28.980 -6.930 -10.637 1.00 0.33 N ATOM 768 CA SER A 50 29.830 -6.183 -11.549 1.00 0.40 C ATOM 769 C SER A 50 29.096 -5.853 -12.860 1.00 0.45 C ATOM 770 O SER A 50 29.419 -4.874 -13.532 1.00 0.55 O ATOM 771 CB SER A 50 31.103 -6.982 -11.833 1.00 0.46 C ATOM 772 OG SER A 50 32.049 -6.220 -12.557 1.00 0.67 O ATOM 0 H SER A 50 29.375 -7.820 -10.332 1.00 0.33 H new ATOM 0 HA SER A 50 30.094 -5.237 -11.077 1.00 0.40 H new ATOM 0 HB2 SER A 50 31.544 -7.310 -10.892 1.00 0.46 H new ATOM 0 HB3 SER A 50 30.851 -7.880 -12.397 1.00 0.46 H new ATOM 0 HG SER A 50 32.850 -6.761 -12.719 1.00 0.67 H new ATOM 778 N THR A 51 28.099 -6.663 -13.210 1.00 0.44 N ATOM 779 CA THR A 51 27.333 -6.442 -14.432 1.00 0.53 C ATOM 780 C THR A 51 25.828 -6.660 -14.203 1.00 0.54 C ATOM 781 O THR A 51 24.990 -5.999 -14.822 1.00 0.73 O ATOM 782 CB THR A 51 27.842 -7.353 -15.577 1.00 0.59 C ATOM 783 OG1 THR A 51 26.979 -7.265 -16.715 1.00 0.72 O ATOM 784 CG2 THR A 51 27.948 -8.802 -15.127 1.00 0.53 C ATOM 0 H THR A 51 27.805 -7.474 -12.667 1.00 0.44 H new ATOM 0 HA THR A 51 27.481 -5.402 -14.724 1.00 0.53 H new ATOM 0 HB THR A 51 28.837 -7.003 -15.854 1.00 0.59 H new ATOM 0 HG1 THR A 51 27.318 -7.846 -17.428 1.00 0.72 H new ATOM 0 HG21 THR A 51 28.308 -9.414 -15.954 1.00 0.53 H new ATOM 0 HG22 THR A 51 28.645 -8.874 -14.292 1.00 0.53 H new ATOM 0 HG23 THR A 51 26.967 -9.158 -14.812 1.00 0.53 H new ATOM 792 N GLY A 52 25.488 -7.566 -13.294 1.00 0.48 N ATOM 793 CA GLY A 52 24.095 -7.836 -12.999 1.00 0.51 C ATOM 794 C GLY A 52 23.598 -9.119 -13.638 1.00 0.54 C ATOM 795 O GLY A 52 22.392 -9.359 -13.708 1.00 0.78 O ATOM 0 H GLY A 52 26.154 -8.119 -12.755 1.00 0.48 H new ATOM 0 HA2 GLY A 52 23.962 -7.898 -11.919 1.00 0.51 H new ATOM 0 HA3 GLY A 52 23.486 -7.002 -13.348 1.00 0.51 H new ATOM 799 N LYS A 53 24.525 -9.949 -14.097 1.00 0.44 N ATOM 800 CA LYS A 53 24.167 -11.227 -14.699 1.00 0.49 C ATOM 801 C LYS A 53 24.034 -12.286 -13.612 1.00 0.41 C ATOM 802 O LYS A 53 24.891 -12.388 -12.728 1.00 0.38 O ATOM 803 CB LYS A 53 25.207 -11.654 -15.742 1.00 0.60 C ATOM 804 CG LYS A 53 25.485 -10.589 -16.796 1.00 0.84 C ATOM 805 CD LYS A 53 24.207 -10.073 -17.440 1.00 1.47 C ATOM 806 CE LYS A 53 24.491 -8.962 -18.441 1.00 2.09 C ATOM 807 NZ LYS A 53 23.237 -8.327 -18.923 1.00 2.89 N ATOM 0 H LYS A 53 25.527 -9.762 -14.064 1.00 0.44 H new ATOM 0 HA LYS A 53 23.210 -11.116 -15.210 1.00 0.49 H new ATOM 0 HB2 LYS A 53 26.139 -11.902 -15.234 1.00 0.60 H new ATOM 0 HB3 LYS A 53 24.862 -12.562 -16.237 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.021 -9.758 -16.338 1.00 0.84 H new ATOM 0 HG3 LYS A 53 26.137 -11.003 -17.566 1.00 0.84 H new ATOM 0 HD2 LYS A 53 23.695 -10.894 -17.943 1.00 1.47 H new ATOM 0 HD3 LYS A 53 23.533 -9.703 -16.667 1.00 1.47 H new ATOM 0 HE2 LYS A 53 25.127 -8.208 -17.978 1.00 2.09 H new ATOM 0 HE3 LYS A 53 25.043 -9.367 -19.289 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 23.468 -7.575 -19.603 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 22.642 -9.042 -19.387 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 22.723 -7.919 -18.117 1.00 2.89 H new ATOM 821 N VAL A 54 22.961 -13.061 -13.678 1.00 0.44 N ATOM 822 CA VAL A 54 22.633 -14.027 -12.634 1.00 0.44 C ATOM 823 C VAL A 54 23.403 -15.339 -12.822 1.00 0.46 C ATOM 824 O VAL A 54 23.830 -15.666 -13.930 1.00 0.51 O ATOM 825 CB VAL A 54 21.109 -14.305 -12.612 1.00 0.52 C ATOM 826 CG1 VAL A 54 20.673 -15.040 -13.873 1.00 0.59 C ATOM 827 CG2 VAL A 54 20.697 -15.071 -11.358 1.00 0.57 C ATOM 0 H VAL A 54 22.296 -13.040 -14.451 1.00 0.44 H new ATOM 0 HA VAL A 54 22.931 -13.594 -11.679 1.00 0.44 H new ATOM 0 HB VAL A 54 20.598 -13.343 -12.588 1.00 0.52 H new ATOM 0 HG11 VAL A 54 19.599 -15.224 -13.834 1.00 0.59 H new ATOM 0 HG12 VAL A 54 20.906 -14.432 -14.747 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.202 -15.991 -13.941 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.622 -15.248 -11.377 1.00 0.57 H new ATOM 0 HG22 VAL A 54 21.222 -16.026 -11.326 1.00 0.57 H new ATOM 0 HG23 VAL A 54 20.953 -14.487 -10.474 1.00 0.57 H new ATOM 837 N PHE A 55 23.587 -16.075 -11.728 1.00 0.48 N ATOM 838 CA PHE A 55 24.255 -17.370 -11.770 1.00 0.54 C ATOM 839 C PHE A 55 23.343 -18.429 -12.377 1.00 0.61 C ATOM 840 O PHE A 55 22.416 -18.915 -11.723 1.00 0.78 O ATOM 841 CB PHE A 55 24.674 -17.807 -10.363 1.00 0.59 C ATOM 842 CG PHE A 55 25.930 -17.162 -9.851 1.00 0.47 C ATOM 843 CD1 PHE A 55 26.243 -15.847 -10.164 1.00 0.52 C ATOM 844 CD2 PHE A 55 26.787 -17.876 -9.036 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.392 -15.261 -9.672 1.00 0.46 C ATOM 846 CE2 PHE A 55 27.939 -17.298 -8.545 1.00 0.70 C ATOM 847 CZ PHE A 55 28.241 -15.989 -8.861 1.00 0.56 C ATOM 0 H PHE A 55 23.280 -15.793 -10.797 1.00 0.48 H new ATOM 0 HA PHE A 55 25.143 -17.266 -12.393 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.861 -17.586 -9.672 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.810 -18.888 -10.359 1.00 0.59 H new ATOM 0 HD1 PHE A 55 25.581 -15.276 -10.799 1.00 0.52 H new ATOM 0 HD2 PHE A 55 26.552 -18.899 -8.780 1.00 0.58 H new ATOM 0 HE1 PHE A 55 27.627 -14.236 -9.920 1.00 0.46 H new ATOM 0 HE2 PHE A 55 28.604 -17.869 -7.914 1.00 0.70 H new ATOM 0 HZ PHE A 55 29.141 -15.534 -8.474 1.00 0.56 H new ATOM 857 N ASP A 56 23.586 -18.759 -13.637 1.00 0.61 N ATOM 858 CA ASP A 56 22.856 -19.837 -14.293 1.00 0.71 C ATOM 859 C ASP A 56 23.805 -20.658 -15.159 1.00 0.70 C ATOM 860 O ASP A 56 23.989 -20.385 -16.340 1.00 0.87 O ATOM 861 CB ASP A 56 21.693 -19.288 -15.132 1.00 0.91 C ATOM 862 CG ASP A 56 20.847 -20.393 -15.736 1.00 1.59 C ATOM 863 OD1 ASP A 56 20.639 -21.427 -15.070 1.00 2.14 O ATOM 864 OD2 ASP A 56 20.401 -20.239 -16.888 1.00 2.18 O ATOM 0 H ASP A 56 24.280 -18.298 -14.225 1.00 0.61 H new ATOM 0 HA ASP A 56 22.433 -20.483 -13.524 1.00 0.71 H new ATOM 0 HB2 ASP A 56 21.065 -18.653 -14.507 1.00 0.91 H new ATOM 0 HB3 ASP A 56 22.088 -18.659 -15.930 1.00 0.91 H new ATOM 869 N SER A 57 24.460 -21.622 -14.535 1.00 0.61 N ATOM 870 CA SER A 57 25.369 -22.514 -15.235 1.00 0.67 C ATOM 871 C SER A 57 25.192 -23.948 -14.739 1.00 0.68 C ATOM 872 O SER A 57 24.352 -24.202 -13.878 1.00 0.75 O ATOM 873 CB SER A 57 26.813 -22.044 -15.062 1.00 0.75 C ATOM 874 OG SER A 57 26.994 -20.765 -15.651 1.00 1.24 O ATOM 0 H SER A 57 24.378 -21.808 -13.535 1.00 0.61 H new ATOM 0 HA SER A 57 25.134 -22.494 -16.299 1.00 0.67 H new ATOM 0 HB2 SER A 57 27.063 -22.001 -14.002 1.00 0.75 H new ATOM 0 HB3 SER A 57 27.493 -22.762 -15.521 1.00 0.75 H new ATOM 0 HG SER A 57 27.923 -20.478 -15.530 1.00 1.24 H new ATOM 880 N SER A 58 26.003 -24.863 -15.266 1.00 0.75 N ATOM 881 CA SER A 58 25.853 -26.297 -15.012 1.00 0.82 C ATOM 882 C SER A 58 25.689 -26.625 -13.523 1.00 0.70 C ATOM 883 O SER A 58 24.796 -27.383 -13.146 1.00 0.70 O ATOM 884 CB SER A 58 27.075 -27.023 -15.568 1.00 1.03 C ATOM 885 OG SER A 58 27.448 -26.475 -16.822 1.00 1.49 O ATOM 0 H SER A 58 26.783 -24.633 -15.881 1.00 0.75 H new ATOM 0 HA SER A 58 24.941 -26.629 -15.508 1.00 0.82 H new ATOM 0 HB2 SER A 58 27.905 -26.940 -14.867 1.00 1.03 H new ATOM 0 HB3 SER A 58 26.856 -28.085 -15.679 1.00 1.03 H new ATOM 0 HG SER A 58 28.234 -26.949 -17.165 1.00 1.49 H new ATOM 891 N PHE A 59 26.536 -26.045 -12.682 1.00 0.69 N ATOM 892 CA PHE A 59 26.472 -26.308 -11.250 1.00 0.70 C ATOM 893 C PHE A 59 25.618 -25.253 -10.555 1.00 0.64 C ATOM 894 O PHE A 59 24.780 -25.571 -9.709 1.00 0.67 O ATOM 895 CB PHE A 59 27.876 -26.318 -10.637 1.00 0.85 C ATOM 896 CG PHE A 59 28.848 -27.220 -11.344 1.00 1.08 C ATOM 897 CD1 PHE A 59 28.655 -28.594 -11.368 1.00 1.28 C ATOM 898 CD2 PHE A 59 29.962 -26.693 -11.979 1.00 1.39 C ATOM 899 CE1 PHE A 59 29.554 -29.423 -12.013 1.00 1.58 C ATOM 900 CE2 PHE A 59 30.863 -27.518 -12.626 1.00 1.77 C ATOM 901 CZ PHE A 59 30.658 -28.884 -12.644 1.00 1.80 C ATOM 0 H PHE A 59 27.270 -25.395 -12.963 1.00 0.69 H new ATOM 0 HA PHE A 59 26.019 -27.289 -11.106 1.00 0.70 H new ATOM 0 HB2 PHE A 59 28.270 -25.302 -10.642 1.00 0.85 H new ATOM 0 HB3 PHE A 59 27.803 -26.626 -9.594 1.00 0.85 H new ATOM 0 HD1 PHE A 59 27.793 -29.021 -10.877 1.00 1.28 H new ATOM 0 HD2 PHE A 59 30.128 -25.626 -11.968 1.00 1.39 H new ATOM 0 HE1 PHE A 59 29.393 -30.491 -12.023 1.00 1.58 H new ATOM 0 HE2 PHE A 59 31.727 -27.095 -13.117 1.00 1.77 H new ATOM 0 HZ PHE A 59 31.360 -29.530 -13.151 1.00 1.80 H new ATOM 911 N ASP A 60 25.833 -24.005 -10.953 1.00 0.66 N ATOM 912 CA ASP A 60 25.204 -22.838 -10.334 1.00 0.72 C ATOM 913 C ASP A 60 23.678 -22.922 -10.362 1.00 0.71 C ATOM 914 O ASP A 60 23.000 -22.385 -9.483 1.00 0.86 O ATOM 915 CB ASP A 60 25.636 -21.564 -11.071 1.00 0.83 C ATOM 916 CG ASP A 60 27.125 -21.520 -11.376 1.00 1.54 C ATOM 917 OD1 ASP A 60 27.618 -22.411 -12.089 1.00 1.89 O ATOM 918 OD2 ASP A 60 27.814 -20.602 -10.867 1.00 2.19 O ATOM 0 H ASP A 60 26.457 -23.769 -11.725 1.00 0.66 H new ATOM 0 HA ASP A 60 25.528 -22.813 -9.293 1.00 0.72 H new ATOM 0 HB2 ASP A 60 25.079 -21.486 -12.005 1.00 0.83 H new ATOM 0 HB3 ASP A 60 25.370 -20.696 -10.468 1.00 0.83 H new ATOM 923 N ARG A 61 23.139 -23.579 -11.382 1.00 0.68 N ATOM 924 CA ARG A 61 21.694 -23.650 -11.561 1.00 0.80 C ATOM 925 C ARG A 61 21.123 -24.903 -10.903 1.00 0.75 C ATOM 926 O ARG A 61 19.932 -24.970 -10.606 1.00 0.92 O ATOM 927 CB ARG A 61 21.351 -23.643 -13.055 1.00 0.97 C ATOM 928 CG ARG A 61 21.275 -25.027 -13.682 1.00 1.23 C ATOM 929 CD ARG A 61 21.602 -24.999 -15.166 1.00 1.65 C ATOM 930 NE ARG A 61 20.939 -23.907 -15.877 1.00 1.75 N ATOM 931 CZ ARG A 61 20.490 -23.999 -17.127 1.00 2.15 C ATOM 932 NH1 ARG A 61 20.444 -25.181 -17.739 1.00 2.58 N ATOM 933 NH2 ARG A 61 20.054 -22.912 -17.753 1.00 2.78 N ATOM 0 H ARG A 61 23.679 -24.069 -12.096 1.00 0.68 H new ATOM 0 HA ARG A 61 21.247 -22.778 -11.083 1.00 0.80 H new ATOM 0 HB2 ARG A 61 20.394 -23.140 -13.195 1.00 0.97 H new ATOM 0 HB3 ARG A 61 22.100 -23.056 -13.586 1.00 0.97 H new ATOM 0 HG2 ARG A 61 21.968 -25.695 -13.171 1.00 1.23 H new ATOM 0 HG3 ARG A 61 20.275 -25.435 -13.539 1.00 1.23 H new ATOM 0 HD2 ARG A 61 22.681 -24.906 -15.293 1.00 1.65 H new ATOM 0 HD3 ARG A 61 21.309 -25.948 -15.615 1.00 1.65 H new ATOM 0 HE ARG A 61 20.813 -23.022 -15.386 1.00 1.75 H new ATOM 0 HH11 ARG A 61 20.754 -26.021 -17.250 1.00 2.58 H new ATOM 0 HH12 ARG A 61 20.099 -25.246 -18.697 1.00 2.58 H new ATOM 0 HH21 ARG A 61 20.064 -22.010 -17.276 1.00 2.78 H new ATOM 0 HH22 ARG A 61 19.709 -22.979 -18.711 1.00 2.78 H new ATOM 947 N ASN A 62 21.985 -25.885 -10.663 1.00 0.64 N ATOM 948 CA ASN A 62 21.542 -27.195 -10.204 1.00 0.68 C ATOM 949 C ASN A 62 21.419 -27.227 -8.687 1.00 0.73 C ATOM 950 O ASN A 62 20.336 -27.453 -8.149 1.00 0.89 O ATOM 951 CB ASN A 62 22.514 -28.283 -10.681 1.00 0.71 C ATOM 952 CG ASN A 62 21.990 -29.684 -10.444 1.00 0.83 C ATOM 953 OD1 ASN A 62 22.379 -30.286 -9.331 1.00 0.93 O flip ATOM 954 ND2 ASN A 62 21.261 -30.233 -11.270 1.00 1.10 N flip ATOM 0 H ASN A 62 22.995 -25.798 -10.779 1.00 0.64 H new ATOM 0 HA ASN A 62 20.558 -27.389 -10.630 1.00 0.68 H new ATOM 0 HB2 ASN A 62 22.709 -28.148 -11.745 1.00 0.71 H new ATOM 0 HB3 ASN A 62 23.467 -28.164 -10.165 1.00 0.71 H new ATOM 0 HD21 ASN A 62 20.983 -29.735 -12.116 1.00 1.10 H new ATOM 0 HD22 ASN A 62 20.935 -31.186 -11.109 1.00 1.10 H new ATOM 961 N VAL A 63 22.529 -26.999 -7.997 1.00 0.68 N ATOM 962 CA VAL A 63 22.528 -27.021 -6.543 1.00 0.83 C ATOM 963 C VAL A 63 23.681 -26.192 -5.979 1.00 0.62 C ATOM 964 O VAL A 63 24.837 -26.379 -6.360 1.00 0.64 O ATOM 965 CB VAL A 63 22.586 -28.470 -5.989 1.00 1.16 C ATOM 966 CG1 VAL A 63 23.827 -29.206 -6.478 1.00 1.76 C ATOM 967 CG2 VAL A 63 22.529 -28.471 -4.466 1.00 2.03 C ATOM 0 H VAL A 63 23.436 -26.798 -8.419 1.00 0.68 H new ATOM 0 HA VAL A 63 21.588 -26.575 -6.218 1.00 0.83 H new ATOM 0 HB VAL A 63 21.713 -29.001 -6.368 1.00 1.16 H new ATOM 0 HG11 VAL A 63 23.835 -30.217 -6.071 1.00 1.76 H new ATOM 0 HG12 VAL A 63 23.816 -29.254 -7.567 1.00 1.76 H new ATOM 0 HG13 VAL A 63 24.719 -28.675 -6.147 1.00 1.76 H new ATOM 0 HG21 VAL A 63 22.571 -29.497 -4.101 1.00 2.03 H new ATOM 0 HG22 VAL A 63 23.375 -27.910 -4.070 1.00 2.03 H new ATOM 0 HG23 VAL A 63 21.600 -28.007 -4.136 1.00 2.03 H new ATOM 977 N PRO A 64 23.376 -25.241 -5.084 1.00 0.91 N ATOM 978 CA PRO A 64 24.394 -24.460 -4.384 1.00 1.03 C ATOM 979 C PRO A 64 25.123 -25.305 -3.342 1.00 0.81 C ATOM 980 O PRO A 64 24.563 -26.261 -2.802 1.00 0.86 O ATOM 981 CB PRO A 64 23.603 -23.331 -3.706 1.00 1.53 C ATOM 982 CG PRO A 64 22.218 -23.412 -4.267 1.00 1.76 C ATOM 983 CD PRO A 64 22.022 -24.839 -4.689 1.00 1.40 C ATOM 0 HA PRO A 64 25.164 -24.090 -5.061 1.00 1.03 H new ATOM 0 HB2 PRO A 64 23.594 -23.455 -2.623 1.00 1.53 H new ATOM 0 HB3 PRO A 64 24.053 -22.360 -3.912 1.00 1.53 H new ATOM 0 HG2 PRO A 64 21.478 -23.121 -3.521 1.00 1.76 H new ATOM 0 HG3 PRO A 64 22.100 -22.736 -5.114 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.637 -25.454 -3.875 1.00 1.40 H new ATOM 0 HD3 PRO A 64 21.316 -24.925 -5.515 1.00 1.40 H new ATOM 991 N PHE A 65 26.360 -24.947 -3.050 1.00 0.68 N ATOM 992 CA PHE A 65 27.176 -25.723 -2.129 1.00 0.53 C ATOM 993 C PHE A 65 27.059 -25.162 -0.716 1.00 0.47 C ATOM 994 O PHE A 65 26.879 -23.958 -0.531 1.00 0.54 O ATOM 995 CB PHE A 65 28.635 -25.711 -2.598 1.00 0.62 C ATOM 996 CG PHE A 65 29.549 -26.590 -1.789 1.00 0.72 C ATOM 997 CD1 PHE A 65 29.396 -27.969 -1.797 1.00 1.06 C ATOM 998 CD2 PHE A 65 30.562 -26.036 -1.022 1.00 0.71 C ATOM 999 CE1 PHE A 65 30.238 -28.776 -1.055 1.00 1.31 C ATOM 1000 CE2 PHE A 65 31.406 -26.840 -0.280 1.00 0.95 C ATOM 1001 CZ PHE A 65 31.243 -28.212 -0.298 1.00 1.24 C ATOM 0 H PHE A 65 26.823 -24.124 -3.436 1.00 0.68 H new ATOM 0 HA PHE A 65 26.820 -26.753 -2.115 1.00 0.53 H new ATOM 0 HB2 PHE A 65 28.673 -26.028 -3.640 1.00 0.62 H new ATOM 0 HB3 PHE A 65 29.008 -24.687 -2.563 1.00 0.62 H new ATOM 0 HD1 PHE A 65 28.611 -28.416 -2.389 1.00 1.06 H new ATOM 0 HD2 PHE A 65 30.693 -24.964 -1.004 1.00 0.71 H new ATOM 0 HE1 PHE A 65 30.109 -29.848 -1.068 1.00 1.31 H new ATOM 0 HE2 PHE A 65 32.192 -26.397 0.313 1.00 0.95 H new ATOM 0 HZ PHE A 65 31.902 -28.842 0.280 1.00 1.24 H new ATOM 1011 N LYS A 66 27.124 -26.041 0.275 1.00 0.41 N ATOM 1012 CA LYS A 66 27.034 -25.623 1.664 1.00 0.39 C ATOM 1013 C LYS A 66 28.406 -25.696 2.319 1.00 0.38 C ATOM 1014 O LYS A 66 29.193 -26.593 2.024 1.00 0.48 O ATOM 1015 CB LYS A 66 26.002 -26.480 2.421 1.00 0.45 C ATOM 1016 CG LYS A 66 26.419 -27.926 2.688 1.00 0.60 C ATOM 1017 CD LYS A 66 27.188 -28.059 3.996 1.00 0.67 C ATOM 1018 CE LYS A 66 27.527 -29.508 4.312 1.00 0.93 C ATOM 1019 NZ LYS A 66 28.377 -30.136 3.264 1.00 1.36 N ATOM 0 H LYS A 66 27.239 -27.046 0.141 1.00 0.41 H new ATOM 0 HA LYS A 66 26.694 -24.588 1.703 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.787 -26.000 3.376 1.00 0.45 H new ATOM 0 HB3 LYS A 66 25.073 -26.487 1.851 1.00 0.45 H new ATOM 0 HG2 LYS A 66 25.533 -28.560 2.721 1.00 0.60 H new ATOM 0 HG3 LYS A 66 27.037 -28.284 1.865 1.00 0.60 H new ATOM 0 HD2 LYS A 66 28.107 -27.476 3.937 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.596 -27.639 4.809 1.00 0.67 H new ATOM 0 HE2 LYS A 66 28.043 -29.556 5.271 1.00 0.93 H new ATOM 0 HE3 LYS A 66 26.605 -30.079 4.417 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 28.678 -31.080 3.581 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 27.833 -30.224 2.382 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 29.215 -29.544 3.096 1.00 1.36 H new ATOM 1033 N PHE A 67 28.696 -24.753 3.197 1.00 0.39 N ATOM 1034 CA PHE A 67 29.992 -24.713 3.856 1.00 0.42 C ATOM 1035 C PHE A 67 29.840 -24.472 5.352 1.00 0.42 C ATOM 1036 O PHE A 67 28.751 -24.174 5.838 1.00 0.46 O ATOM 1037 CB PHE A 67 30.879 -23.630 3.228 1.00 0.46 C ATOM 1038 CG PHE A 67 30.277 -22.247 3.236 1.00 0.45 C ATOM 1039 CD1 PHE A 67 30.448 -21.403 4.324 1.00 0.43 C ATOM 1040 CD2 PHE A 67 29.554 -21.787 2.147 1.00 0.55 C ATOM 1041 CE1 PHE A 67 29.906 -20.132 4.325 1.00 0.46 C ATOM 1042 CE2 PHE A 67 29.008 -20.518 2.142 1.00 0.57 C ATOM 1043 CZ PHE A 67 29.186 -19.689 3.231 1.00 0.51 C ATOM 0 H PHE A 67 28.056 -24.007 3.470 1.00 0.39 H new ATOM 0 HA PHE A 67 30.470 -25.683 3.717 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.829 -23.602 3.761 1.00 0.46 H new ATOM 0 HB3 PHE A 67 31.099 -23.911 2.198 1.00 0.46 H new ATOM 0 HD1 PHE A 67 31.011 -21.744 5.180 1.00 0.43 H new ATOM 0 HD2 PHE A 67 29.415 -22.430 1.290 1.00 0.55 H new ATOM 0 HE1 PHE A 67 30.045 -19.486 5.179 1.00 0.46 H new ATOM 0 HE2 PHE A 67 28.443 -20.175 1.288 1.00 0.57 H new ATOM 0 HZ PHE A 67 28.763 -18.695 3.229 1.00 0.51 H new ATOM 1053 N HIS A 68 30.944 -24.614 6.074 1.00 0.42 N ATOM 1054 CA HIS A 68 30.972 -24.364 7.510 1.00 0.44 C ATOM 1055 C HIS A 68 31.644 -23.027 7.792 1.00 0.42 C ATOM 1056 O HIS A 68 32.518 -22.595 7.035 1.00 0.44 O ATOM 1057 CB HIS A 68 31.716 -25.483 8.249 1.00 0.53 C ATOM 1058 CG HIS A 68 30.875 -26.685 8.572 1.00 0.89 C ATOM 1059 ND1 HIS A 68 30.607 -27.696 7.673 1.00 1.68 N ATOM 1060 CD2 HIS A 68 30.261 -27.042 9.724 1.00 1.56 C ATOM 1061 CE1 HIS A 68 29.867 -28.620 8.262 1.00 1.98 C ATOM 1062 NE2 HIS A 68 29.643 -28.248 9.508 1.00 1.87 N ATOM 0 H HIS A 68 31.841 -24.904 5.684 1.00 0.42 H new ATOM 0 HA HIS A 68 29.944 -24.338 7.870 1.00 0.44 H new ATOM 0 HB2 HIS A 68 32.563 -25.801 7.641 1.00 0.53 H new ATOM 0 HB3 HIS A 68 32.123 -25.080 9.177 1.00 0.53 H new ATOM 0 HD2 HIS A 68 30.258 -26.480 10.646 1.00 1.56 H new ATOM 0 HE1 HIS A 68 29.506 -29.527 7.800 1.00 1.98 H new ATOM 0 HE2 HIS A 68 29.101 -28.770 10.196 1.00 1.87 H new ATOM 1071 N LEU A 69 31.228 -22.373 8.868 1.00 0.44 N ATOM 1072 CA LEU A 69 31.783 -21.081 9.240 1.00 0.47 C ATOM 1073 C LEU A 69 33.264 -21.204 9.590 1.00 0.49 C ATOM 1074 O LEU A 69 33.636 -21.908 10.528 1.00 0.58 O ATOM 1075 CB LEU A 69 30.984 -20.485 10.407 1.00 0.59 C ATOM 1076 CG LEU A 69 31.543 -19.192 11.010 1.00 0.71 C ATOM 1077 CD1 LEU A 69 31.869 -18.179 9.927 1.00 0.74 C ATOM 1078 CD2 LEU A 69 30.542 -18.603 11.987 1.00 0.95 C ATOM 0 H LEU A 69 30.506 -22.718 9.500 1.00 0.44 H new ATOM 0 HA LEU A 69 31.704 -20.407 8.387 1.00 0.47 H new ATOM 0 HB2 LEU A 69 29.967 -20.293 10.065 1.00 0.59 H new ATOM 0 HB3 LEU A 69 30.919 -21.233 11.197 1.00 0.59 H new ATOM 0 HG LEU A 69 32.466 -19.433 11.538 1.00 0.71 H new ATOM 0 HD11 LEU A 69 32.264 -17.272 10.384 1.00 0.74 H new ATOM 0 HD12 LEU A 69 32.613 -18.597 9.250 1.00 0.74 H new ATOM 0 HD13 LEU A 69 30.964 -17.940 9.368 1.00 0.74 H new ATOM 0 HD21 LEU A 69 30.946 -17.684 12.412 1.00 0.95 H new ATOM 0 HD22 LEU A 69 29.611 -18.383 11.465 1.00 0.95 H new ATOM 0 HD23 LEU A 69 30.350 -19.318 12.786 1.00 0.95 H new ATOM 1090 N GLU A 70 34.075 -20.480 8.817 1.00 0.59 N ATOM 1091 CA GLU A 70 35.533 -20.530 8.876 1.00 0.69 C ATOM 1092 C GLU A 70 36.044 -21.958 9.013 1.00 0.69 C ATOM 1093 O GLU A 70 36.448 -22.404 10.085 1.00 0.96 O ATOM 1094 CB GLU A 70 36.072 -19.630 9.982 1.00 0.95 C ATOM 1095 CG GLU A 70 37.469 -19.087 9.709 1.00 1.12 C ATOM 1096 CD GLU A 70 38.569 -20.078 10.019 1.00 1.47 C ATOM 1097 OE1 GLU A 70 39.002 -20.130 11.189 1.00 2.08 O ATOM 1098 OE2 GLU A 70 39.016 -20.787 9.093 1.00 1.79 O ATOM 0 H GLU A 70 33.725 -19.827 8.116 1.00 0.59 H new ATOM 0 HA GLU A 70 35.911 -20.147 7.928 1.00 0.69 H new ATOM 0 HB2 GLU A 70 35.388 -18.793 10.122 1.00 0.95 H new ATOM 0 HB3 GLU A 70 36.086 -20.189 10.918 1.00 0.95 H new ATOM 0 HG2 GLU A 70 37.539 -18.794 8.661 1.00 1.12 H new ATOM 0 HG3 GLU A 70 37.623 -18.186 10.303 1.00 1.12 H new ATOM 1105 N GLN A 71 35.978 -22.671 7.908 1.00 0.68 N ATOM 1106 CA GLN A 71 36.526 -24.010 7.813 1.00 0.86 C ATOM 1107 C GLN A 71 37.873 -23.960 7.103 1.00 0.83 C ATOM 1108 O GLN A 71 38.386 -24.977 6.635 1.00 0.96 O ATOM 1109 CB GLN A 71 35.557 -24.905 7.040 1.00 1.05 C ATOM 1110 CG GLN A 71 34.929 -24.195 5.850 1.00 0.96 C ATOM 1111 CD GLN A 71 34.005 -25.078 5.041 1.00 1.14 C ATOM 1112 OE1 GLN A 71 33.418 -26.029 5.554 1.00 1.98 O ATOM 1113 NE2 GLN A 71 33.830 -24.733 3.780 1.00 0.97 N ATOM 0 H GLN A 71 35.542 -22.339 7.048 1.00 0.68 H new ATOM 0 HA GLN A 71 36.667 -24.419 8.813 1.00 0.86 H new ATOM 0 HB2 GLN A 71 36.086 -25.792 6.692 1.00 1.05 H new ATOM 0 HB3 GLN A 71 34.770 -25.247 7.712 1.00 1.05 H new ATOM 0 HG2 GLN A 71 34.371 -23.329 6.206 1.00 0.96 H new ATOM 0 HG3 GLN A 71 35.721 -23.820 5.201 1.00 0.96 H new ATOM 0 HE21 GLN A 71 34.337 -23.937 3.394 1.00 0.97 H new ATOM 0 HE22 GLN A 71 33.187 -25.263 3.191 1.00 0.97 H new ATOM 1122 N GLY A 72 38.444 -22.765 7.041 1.00 0.72 N ATOM 1123 CA GLY A 72 39.651 -22.552 6.277 1.00 0.72 C ATOM 1124 C GLY A 72 39.349 -22.100 4.863 1.00 0.67 C ATOM 1125 O GLY A 72 40.219 -21.569 4.176 1.00 0.70 O ATOM 0 H GLY A 72 38.087 -21.934 7.512 1.00 0.72 H new ATOM 0 HA2 GLY A 72 40.268 -21.804 6.774 1.00 0.72 H new ATOM 0 HA3 GLY A 72 40.230 -23.475 6.248 1.00 0.72 H new ATOM 1129 N GLU A 73 38.104 -22.295 4.437 1.00 0.63 N ATOM 1130 CA GLU A 73 37.713 -21.982 3.069 1.00 0.62 C ATOM 1131 C GLU A 73 37.230 -20.538 2.942 1.00 0.57 C ATOM 1132 O GLU A 73 37.553 -19.849 1.978 1.00 0.66 O ATOM 1133 CB GLU A 73 36.606 -22.933 2.616 1.00 0.67 C ATOM 1134 CG GLU A 73 36.939 -24.402 2.828 1.00 0.73 C ATOM 1135 CD GLU A 73 38.123 -24.871 2.012 1.00 0.81 C ATOM 1136 OE1 GLU A 73 39.268 -24.548 2.377 1.00 0.92 O ATOM 1137 OE2 GLU A 73 37.911 -25.597 1.021 1.00 0.97 O ATOM 0 H GLU A 73 37.353 -22.667 5.018 1.00 0.63 H new ATOM 0 HA GLU A 73 38.590 -22.105 2.434 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.690 -22.695 3.157 1.00 0.67 H new ATOM 0 HB3 GLU A 73 36.404 -22.764 1.558 1.00 0.67 H new ATOM 0 HG2 GLU A 73 37.145 -24.572 3.885 1.00 0.73 H new ATOM 0 HG3 GLU A 73 36.068 -25.005 2.572 1.00 0.73 H new ATOM 1144 N VAL A 74 36.452 -20.079 3.914 1.00 0.50 N ATOM 1145 CA VAL A 74 35.903 -18.729 3.867 1.00 0.45 C ATOM 1146 C VAL A 74 36.757 -17.780 4.706 1.00 0.41 C ATOM 1147 O VAL A 74 37.176 -18.124 5.812 1.00 0.46 O ATOM 1148 CB VAL A 74 34.427 -18.692 4.334 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.559 -19.515 3.395 1.00 0.58 C ATOM 1150 CG2 VAL A 74 34.288 -19.193 5.763 1.00 0.55 C ATOM 0 H VAL A 74 36.188 -20.617 4.739 1.00 0.50 H new ATOM 0 HA VAL A 74 35.924 -18.399 2.828 1.00 0.45 H new ATOM 0 HB VAL A 74 34.090 -17.656 4.310 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.523 -19.481 3.734 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.625 -19.106 2.387 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.906 -20.548 3.391 1.00 0.58 H new ATOM 0 HG21 VAL A 74 33.240 -19.155 6.062 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.646 -20.221 5.825 1.00 0.55 H new ATOM 0 HG23 VAL A 74 34.878 -18.563 6.428 1.00 0.55 H new ATOM 1160 N ILE A 75 37.043 -16.603 4.158 1.00 0.38 N ATOM 1161 CA ILE A 75 37.936 -15.653 4.814 1.00 0.40 C ATOM 1162 C ILE A 75 37.174 -14.591 5.617 1.00 0.39 C ATOM 1163 O ILE A 75 37.232 -14.591 6.841 1.00 0.47 O ATOM 1164 CB ILE A 75 38.930 -14.980 3.828 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.277 -14.619 2.482 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.132 -15.882 3.602 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.213 -15.757 1.476 1.00 0.62 C ATOM 0 H ILE A 75 36.671 -16.284 3.263 1.00 0.38 H new ATOM 0 HA ILE A 75 38.522 -16.247 5.515 1.00 0.40 H new ATOM 0 HB ILE A 75 39.252 -14.045 4.287 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.264 -14.262 2.670 1.00 0.46 H new ATOM 0 HG13 ILE A 75 38.829 -13.791 2.037 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.823 -15.401 2.909 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.636 -16.061 4.552 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.800 -16.832 3.183 1.00 0.53 H new ATOM 0 HD11 ILE A 75 37.737 -15.407 0.560 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.223 -16.101 1.252 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.633 -16.580 1.894 1.00 0.62 H new ATOM 1179 N LYS A 76 36.457 -13.689 4.942 1.00 0.33 N ATOM 1180 CA LYS A 76 35.758 -12.613 5.644 1.00 0.35 C ATOM 1181 C LYS A 76 34.323 -12.451 5.152 1.00 0.29 C ATOM 1182 O LYS A 76 33.391 -12.433 5.952 1.00 0.31 O ATOM 1183 CB LYS A 76 36.496 -11.271 5.499 1.00 0.48 C ATOM 1184 CG LYS A 76 37.884 -11.251 6.125 1.00 0.62 C ATOM 1185 CD LYS A 76 38.403 -9.831 6.309 1.00 0.98 C ATOM 1186 CE LYS A 76 37.538 -9.042 7.282 1.00 1.18 C ATOM 1187 NZ LYS A 76 38.138 -7.725 7.632 1.00 2.04 N ATOM 0 H LYS A 76 36.347 -13.682 3.928 1.00 0.33 H new ATOM 0 HA LYS A 76 35.738 -12.898 6.696 1.00 0.35 H new ATOM 0 HB2 LYS A 76 36.584 -11.030 4.440 1.00 0.48 H new ATOM 0 HB3 LYS A 76 35.893 -10.486 5.955 1.00 0.48 H new ATOM 0 HG2 LYS A 76 37.854 -11.755 7.091 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.575 -11.811 5.495 1.00 0.62 H new ATOM 0 HD2 LYS A 76 39.429 -9.862 6.676 1.00 0.98 H new ATOM 0 HD3 LYS A 76 38.424 -9.323 5.345 1.00 0.98 H new ATOM 0 HE2 LYS A 76 36.553 -8.885 6.843 1.00 1.18 H new ATOM 0 HE3 LYS A 76 37.393 -9.626 8.191 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 37.490 -7.203 8.256 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 39.044 -7.875 8.121 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 38.300 -7.176 6.764 1.00 2.04 H new ATOM 1201 N GLY A 77 34.153 -12.344 3.835 1.00 0.29 N ATOM 1202 CA GLY A 77 32.852 -12.015 3.270 1.00 0.30 C ATOM 1203 C GLY A 77 31.738 -12.924 3.748 1.00 0.27 C ATOM 1204 O GLY A 77 30.725 -12.455 4.263 1.00 0.32 O ATOM 0 H GLY A 77 34.894 -12.479 3.148 1.00 0.29 H new ATOM 0 HA2 GLY A 77 32.604 -10.985 3.525 1.00 0.30 H new ATOM 0 HA3 GLY A 77 32.913 -12.069 2.183 1.00 0.30 H new ATOM 1208 N TRP A 78 31.931 -14.224 3.603 1.00 0.24 N ATOM 1209 CA TRP A 78 30.941 -15.190 4.053 1.00 0.26 C ATOM 1210 C TRP A 78 30.982 -15.334 5.568 1.00 0.29 C ATOM 1211 O TRP A 78 29.947 -15.457 6.212 1.00 0.30 O ATOM 1212 CB TRP A 78 31.173 -16.554 3.401 1.00 0.28 C ATOM 1213 CG TRP A 78 31.185 -16.517 1.901 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.125 -16.724 1.067 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.316 -16.270 1.060 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.529 -16.615 -0.242 1.00 0.36 N ATOM 1217 CE2 TRP A 78 31.867 -16.334 -0.273 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.665 -15.993 1.308 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 32.724 -16.135 -1.354 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.511 -15.796 0.234 1.00 0.48 C ATOM 1221 CH2 TRP A 78 34.039 -15.866 -1.082 1.00 0.49 C ATOM 0 H TRP A 78 32.762 -14.635 3.178 1.00 0.24 H new ATOM 0 HA TRP A 78 29.959 -14.822 3.756 1.00 0.26 H new ATOM 0 HB2 TRP A 78 32.123 -16.957 3.752 1.00 0.28 H new ATOM 0 HB3 TRP A 78 30.394 -17.241 3.731 1.00 0.28 H new ATOM 0 HD1 TRP A 78 29.117 -16.941 1.388 1.00 0.32 H new ATOM 0 HE1 TRP A 78 29.928 -16.726 -1.059 1.00 0.36 H new ATOM 0 HE3 TRP A 78 34.038 -15.934 2.320 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.364 -16.191 -2.371 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.555 -15.584 0.413 1.00 0.48 H new ATOM 0 HH2 TRP A 78 34.726 -15.705 -1.900 1.00 0.49 H new ATOM 1232 N ASP A 79 32.190 -15.287 6.121 1.00 0.35 N ATOM 1233 CA ASP A 79 32.417 -15.546 7.543 1.00 0.42 C ATOM 1234 C ASP A 79 31.594 -14.608 8.430 1.00 0.43 C ATOM 1235 O ASP A 79 30.815 -15.057 9.273 1.00 0.47 O ATOM 1236 CB ASP A 79 33.907 -15.384 7.847 1.00 0.52 C ATOM 1237 CG ASP A 79 34.257 -15.691 9.289 1.00 0.76 C ATOM 1238 OD1 ASP A 79 34.041 -14.823 10.157 1.00 0.90 O ATOM 1239 OD2 ASP A 79 34.764 -16.798 9.557 1.00 1.14 O ATOM 0 H ASP A 79 33.039 -15.069 5.599 1.00 0.35 H new ATOM 0 HA ASP A 79 32.097 -16.564 7.763 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.479 -16.042 7.193 1.00 0.52 H new ATOM 0 HB3 ASP A 79 34.210 -14.363 7.615 1.00 0.52 H new ATOM 1244 N ILE A 80 31.734 -13.309 8.203 1.00 0.45 N ATOM 1245 CA ILE A 80 31.024 -12.313 8.997 1.00 0.52 C ATOM 1246 C ILE A 80 29.527 -12.368 8.711 1.00 0.47 C ATOM 1247 O ILE A 80 28.701 -12.183 9.605 1.00 0.56 O ATOM 1248 CB ILE A 80 31.560 -10.880 8.730 1.00 0.63 C ATOM 1249 CG1 ILE A 80 32.901 -10.648 9.447 1.00 0.75 C ATOM 1250 CG2 ILE A 80 30.548 -9.829 9.164 1.00 0.78 C ATOM 1251 CD1 ILE A 80 34.070 -11.445 8.899 1.00 0.70 C ATOM 0 H ILE A 80 32.333 -12.919 7.475 1.00 0.45 H new ATOM 0 HA ILE A 80 31.198 -12.549 10.047 1.00 0.52 H new ATOM 0 HB ILE A 80 31.721 -10.785 7.656 1.00 0.63 H new ATOM 0 HG12 ILE A 80 33.146 -9.587 9.391 1.00 0.75 H new ATOM 0 HG13 ILE A 80 32.778 -10.892 10.502 1.00 0.75 H new ATOM 0 HG21 ILE A 80 30.948 -8.835 8.966 1.00 0.78 H new ATOM 0 HG22 ILE A 80 29.621 -9.964 8.607 1.00 0.78 H new ATOM 0 HG23 ILE A 80 30.349 -9.934 10.230 1.00 0.78 H new ATOM 0 HD11 ILE A 80 34.969 -11.212 9.470 1.00 0.70 H new ATOM 0 HD12 ILE A 80 33.854 -12.510 8.980 1.00 0.70 H new ATOM 0 HD13 ILE A 80 34.228 -11.186 7.852 1.00 0.70 H new ATOM 1263 N CYS A 81 29.183 -12.650 7.467 1.00 0.38 N ATOM 1264 CA CYS A 81 27.792 -12.653 7.055 1.00 0.40 C ATOM 1265 C CYS A 81 27.036 -13.822 7.682 1.00 0.35 C ATOM 1266 O CYS A 81 25.965 -13.631 8.251 1.00 0.42 O ATOM 1267 CB CYS A 81 27.678 -12.706 5.532 1.00 0.44 C ATOM 1268 SG CYS A 81 25.989 -12.511 4.921 1.00 0.55 S ATOM 0 H CYS A 81 29.846 -12.879 6.727 1.00 0.38 H new ATOM 0 HA CYS A 81 27.340 -11.725 7.406 1.00 0.40 H new ATOM 0 HB2 CYS A 81 28.303 -11.923 5.103 1.00 0.44 H new ATOM 0 HB3 CYS A 81 28.074 -13.658 5.180 1.00 0.44 H new ATOM 0 HG CYS A 81 25.784 -11.268 4.602 1.00 0.55 H new ATOM 1274 N VAL A 82 27.601 -15.024 7.604 1.00 0.30 N ATOM 1275 CA VAL A 82 26.933 -16.208 8.133 1.00 0.34 C ATOM 1276 C VAL A 82 26.819 -16.142 9.655 1.00 0.39 C ATOM 1277 O VAL A 82 25.857 -16.642 10.227 1.00 0.48 O ATOM 1278 CB VAL A 82 27.624 -17.527 7.716 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.628 -17.674 6.208 1.00 0.84 C ATOM 1280 CG2 VAL A 82 29.035 -17.611 8.251 1.00 0.73 C ATOM 0 H VAL A 82 28.513 -15.203 7.183 1.00 0.30 H new ATOM 0 HA VAL A 82 25.935 -16.210 7.695 1.00 0.34 H new ATOM 0 HB VAL A 82 27.052 -18.346 8.151 1.00 0.36 H new ATOM 0 HG11 VAL A 82 28.119 -18.608 5.935 1.00 0.84 H new ATOM 0 HG12 VAL A 82 26.602 -17.682 5.840 1.00 0.84 H new ATOM 0 HG13 VAL A 82 28.166 -16.838 5.762 1.00 0.84 H new ATOM 0 HG21 VAL A 82 29.488 -18.552 7.937 1.00 0.73 H new ATOM 0 HG22 VAL A 82 29.622 -16.779 7.862 1.00 0.73 H new ATOM 0 HG23 VAL A 82 29.015 -17.564 9.340 1.00 0.73 H new ATOM 1290 N SER A 83 27.803 -15.517 10.304 1.00 0.39 N ATOM 1291 CA SER A 83 27.779 -15.355 11.756 1.00 0.49 C ATOM 1292 C SER A 83 26.885 -14.170 12.143 1.00 0.48 C ATOM 1293 O SER A 83 26.770 -13.812 13.316 1.00 0.60 O ATOM 1294 CB SER A 83 29.201 -15.151 12.294 1.00 0.63 C ATOM 1295 OG SER A 83 29.233 -15.232 13.714 1.00 1.43 O ATOM 0 H SER A 83 28.623 -15.117 9.848 1.00 0.39 H new ATOM 0 HA SER A 83 27.368 -16.261 12.201 1.00 0.49 H new ATOM 0 HB2 SER A 83 29.864 -15.905 11.870 1.00 0.63 H new ATOM 0 HB3 SER A 83 29.577 -14.179 11.974 1.00 0.63 H new ATOM 0 HG SER A 83 28.438 -14.794 14.085 1.00 1.43 H new ATOM 1301 N SER A 84 26.260 -13.572 11.137 1.00 0.50 N ATOM 1302 CA SER A 84 25.336 -12.466 11.331 1.00 0.53 C ATOM 1303 C SER A 84 23.991 -12.826 10.704 1.00 0.51 C ATOM 1304 O SER A 84 23.227 -11.958 10.288 1.00 0.64 O ATOM 1305 CB SER A 84 25.919 -11.197 10.693 1.00 0.69 C ATOM 1306 OG SER A 84 25.054 -10.076 10.825 1.00 1.23 O ATOM 0 H SER A 84 26.381 -13.842 10.161 1.00 0.50 H new ATOM 0 HA SER A 84 25.187 -12.278 12.394 1.00 0.53 H new ATOM 0 HB2 SER A 84 26.878 -10.968 11.157 1.00 0.69 H new ATOM 0 HB3 SER A 84 26.112 -11.381 9.636 1.00 0.69 H new ATOM 0 HG SER A 84 24.146 -10.330 10.556 1.00 1.23 H new ATOM 1312 N MET A 85 23.717 -14.122 10.649 1.00 0.46 N ATOM 1313 CA MET A 85 22.506 -14.636 10.024 1.00 0.49 C ATOM 1314 C MET A 85 21.708 -15.491 10.999 1.00 0.49 C ATOM 1315 O MET A 85 22.184 -16.532 11.437 1.00 0.74 O ATOM 1316 CB MET A 85 22.879 -15.489 8.811 1.00 0.54 C ATOM 1317 CG MET A 85 23.202 -14.699 7.556 1.00 0.63 C ATOM 1318 SD MET A 85 21.723 -14.090 6.737 1.00 1.05 S ATOM 1319 CE MET A 85 20.814 -15.622 6.555 1.00 2.27 C ATOM 0 H MET A 85 24.325 -14.844 11.035 1.00 0.46 H new ATOM 0 HA MET A 85 21.895 -13.787 9.718 1.00 0.49 H new ATOM 0 HB2 MET A 85 23.741 -16.105 9.068 1.00 0.54 H new ATOM 0 HB3 MET A 85 22.055 -16.168 8.594 1.00 0.54 H new ATOM 0 HG2 MET A 85 23.845 -13.857 7.814 1.00 0.63 H new ATOM 0 HG3 MET A 85 23.764 -15.329 6.866 1.00 0.63 H new ATOM 0 HE1 MET A 85 20.147 -15.550 5.696 1.00 2.27 H new ATOM 0 HE2 MET A 85 21.513 -16.444 6.404 1.00 2.27 H new ATOM 0 HE3 MET A 85 20.227 -15.806 7.455 1.00 2.27 H new ATOM 1329 N ARG A 86 20.498 -15.070 11.343 1.00 0.45 N ATOM 1330 CA ARG A 86 19.643 -15.894 12.187 1.00 0.46 C ATOM 1331 C ARG A 86 18.929 -16.941 11.333 1.00 0.49 C ATOM 1332 O ARG A 86 18.836 -16.796 10.115 1.00 0.57 O ATOM 1333 CB ARG A 86 18.623 -15.038 12.938 1.00 0.49 C ATOM 1334 CG ARG A 86 18.301 -15.580 14.318 1.00 0.96 C ATOM 1335 CD ARG A 86 17.162 -14.825 14.979 1.00 1.24 C ATOM 1336 NE ARG A 86 15.864 -15.154 14.382 1.00 2.20 N ATOM 1337 CZ ARG A 86 14.993 -16.000 14.935 1.00 3.10 C ATOM 1338 NH1 ARG A 86 15.303 -16.648 16.049 1.00 3.34 N ATOM 1339 NH2 ARG A 86 13.815 -16.218 14.368 1.00 4.19 N ATOM 0 H ARG A 86 20.092 -14.179 11.057 1.00 0.45 H new ATOM 0 HA ARG A 86 20.268 -16.397 12.925 1.00 0.46 H new ATOM 0 HB2 ARG A 86 19.007 -14.022 13.032 1.00 0.49 H new ATOM 0 HB3 ARG A 86 17.705 -14.978 12.353 1.00 0.49 H new ATOM 0 HG2 ARG A 86 18.038 -16.635 14.240 1.00 0.96 H new ATOM 0 HG3 ARG A 86 19.189 -15.518 14.947 1.00 0.96 H new ATOM 0 HD2 ARG A 86 17.141 -15.060 16.043 1.00 1.24 H new ATOM 0 HD3 ARG A 86 17.339 -13.753 14.892 1.00 1.24 H new ATOM 0 HE ARG A 86 15.614 -14.713 13.497 1.00 2.20 H new ATOM 0 HH11 ARG A 86 16.212 -16.501 16.488 1.00 3.34 H new ATOM 0 HH12 ARG A 86 14.633 -17.293 16.467 1.00 3.34 H new ATOM 0 HH21 ARG A 86 13.569 -15.737 13.503 1.00 4.19 H new ATOM 0 HH22 ARG A 86 13.155 -16.866 14.797 1.00 4.19 H new ATOM 1353 N LYS A 87 18.411 -17.986 11.975 1.00 0.51 N ATOM 1354 CA LYS A 87 17.799 -19.113 11.260 1.00 0.59 C ATOM 1355 C LYS A 87 16.519 -18.701 10.520 1.00 0.59 C ATOM 1356 O LYS A 87 16.013 -19.438 9.679 1.00 0.74 O ATOM 1357 CB LYS A 87 17.491 -20.251 12.240 1.00 0.68 C ATOM 1358 CG LYS A 87 17.108 -21.558 11.560 1.00 0.84 C ATOM 1359 CD LYS A 87 16.485 -22.546 12.533 1.00 1.03 C ATOM 1360 CE LYS A 87 16.323 -23.921 11.905 1.00 1.26 C ATOM 1361 NZ LYS A 87 15.623 -23.870 10.589 1.00 1.94 N ATOM 0 H LYS A 87 18.401 -18.079 12.991 1.00 0.51 H new ATOM 0 HA LYS A 87 18.516 -19.454 10.513 1.00 0.59 H new ATOM 0 HB2 LYS A 87 18.364 -20.422 12.870 1.00 0.68 H new ATOM 0 HB3 LYS A 87 16.678 -19.942 12.898 1.00 0.68 H new ATOM 0 HG2 LYS A 87 16.406 -21.354 10.752 1.00 0.84 H new ATOM 0 HG3 LYS A 87 17.994 -22.004 11.108 1.00 0.84 H new ATOM 0 HD2 LYS A 87 17.108 -22.623 13.424 1.00 1.03 H new ATOM 0 HD3 LYS A 87 15.512 -22.176 12.856 1.00 1.03 H new ATOM 0 HE2 LYS A 87 17.305 -24.374 11.773 1.00 1.26 H new ATOM 0 HE3 LYS A 87 15.764 -24.564 12.585 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 14.978 -24.682 10.507 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 15.078 -22.987 10.519 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 16.324 -23.906 9.821 1.00 1.94 H new ATOM 1375 N ASN A 88 15.997 -17.525 10.838 1.00 0.55 N ATOM 1376 CA ASN A 88 14.802 -17.012 10.171 1.00 0.66 C ATOM 1377 C ASN A 88 15.107 -15.680 9.514 1.00 0.60 C ATOM 1378 O ASN A 88 14.219 -14.857 9.311 1.00 0.71 O ATOM 1379 CB ASN A 88 13.647 -16.838 11.161 1.00 0.79 C ATOM 1380 CG ASN A 88 12.931 -18.137 11.471 1.00 0.96 C ATOM 1381 OD1 ASN A 88 12.017 -18.534 10.752 1.00 1.23 O ATOM 1382 ND2 ASN A 88 13.324 -18.800 12.547 1.00 1.20 N ATOM 0 H ASN A 88 16.380 -16.906 11.553 1.00 0.55 H new ATOM 0 HA ASN A 88 14.503 -17.737 9.414 1.00 0.66 H new ATOM 0 HB2 ASN A 88 14.031 -16.411 12.088 1.00 0.79 H new ATOM 0 HB3 ASN A 88 12.932 -16.124 10.754 1.00 0.79 H new ATOM 0 HD21 ASN A 88 12.864 -19.673 12.804 1.00 1.20 H new ATOM 0 HD22 ASN A 88 14.087 -18.438 13.119 1.00 1.20 H new ATOM 1389 N GLU A 89 16.369 -15.480 9.189 1.00 0.50 N ATOM 1390 CA GLU A 89 16.840 -14.208 8.675 1.00 0.46 C ATOM 1391 C GLU A 89 17.504 -14.415 7.318 1.00 0.47 C ATOM 1392 O GLU A 89 17.774 -15.554 6.931 1.00 0.65 O ATOM 1393 CB GLU A 89 17.815 -13.625 9.692 1.00 0.50 C ATOM 1394 CG GLU A 89 18.215 -12.184 9.458 1.00 0.48 C ATOM 1395 CD GLU A 89 18.835 -11.585 10.699 1.00 1.01 C ATOM 1396 OE1 GLU A 89 19.895 -12.088 11.133 1.00 1.60 O ATOM 1397 OE2 GLU A 89 18.289 -10.581 11.208 1.00 1.38 O ATOM 0 H GLU A 89 17.095 -16.192 9.273 1.00 0.50 H new ATOM 0 HA GLU A 89 16.013 -13.513 8.530 1.00 0.46 H new ATOM 0 HB2 GLU A 89 17.369 -13.704 10.684 1.00 0.50 H new ATOM 0 HB3 GLU A 89 18.716 -14.238 9.698 1.00 0.50 H new ATOM 0 HG2 GLU A 89 18.923 -12.129 8.631 1.00 0.48 H new ATOM 0 HG3 GLU A 89 17.340 -11.603 9.168 1.00 0.48 H new ATOM 1404 N LYS A 90 17.740 -13.333 6.588 1.00 0.39 N ATOM 1405 CA LYS A 90 18.443 -13.413 5.317 1.00 0.40 C ATOM 1406 C LYS A 90 19.075 -12.077 4.946 1.00 0.39 C ATOM 1407 O LYS A 90 18.385 -11.061 4.805 1.00 0.47 O ATOM 1408 CB LYS A 90 17.511 -13.882 4.194 1.00 0.50 C ATOM 1409 CG LYS A 90 18.196 -13.919 2.840 1.00 0.56 C ATOM 1410 CD LYS A 90 17.350 -14.615 1.792 1.00 0.93 C ATOM 1411 CE LYS A 90 18.035 -14.574 0.439 1.00 0.85 C ATOM 1412 NZ LYS A 90 17.414 -15.509 -0.538 1.00 1.17 N ATOM 0 H LYS A 90 17.455 -12.391 6.855 1.00 0.39 H new ATOM 0 HA LYS A 90 19.238 -14.149 5.437 1.00 0.40 H new ATOM 0 HB2 LYS A 90 17.133 -14.876 4.433 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.649 -13.217 4.142 1.00 0.50 H new ATOM 0 HG2 LYS A 90 18.410 -12.901 2.515 1.00 0.56 H new ATOM 0 HG3 LYS A 90 19.153 -14.432 2.932 1.00 0.56 H new ATOM 0 HD2 LYS A 90 17.176 -15.650 2.086 1.00 0.93 H new ATOM 0 HD3 LYS A 90 16.374 -14.134 1.726 1.00 0.93 H new ATOM 0 HE2 LYS A 90 17.993 -13.559 0.044 1.00 0.85 H new ATOM 0 HE3 LYS A 90 19.089 -14.826 0.560 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.582 -15.163 -1.504 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 17.835 -16.454 -0.430 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 16.390 -15.564 -0.363 1.00 1.17 H new ATOM 1426 N CYS A 91 20.388 -12.094 4.779 1.00 0.35 N ATOM 1427 CA CYS A 91 21.131 -10.913 4.380 1.00 0.38 C ATOM 1428 C CYS A 91 21.922 -11.181 3.104 1.00 0.32 C ATOM 1429 O CYS A 91 22.160 -12.336 2.739 1.00 0.37 O ATOM 1430 CB CYS A 91 22.091 -10.491 5.492 1.00 0.48 C ATOM 1431 SG CYS A 91 21.296 -10.175 7.083 1.00 1.20 S ATOM 0 H CYS A 91 20.965 -12.924 4.916 1.00 0.35 H new ATOM 0 HA CYS A 91 20.417 -10.111 4.194 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.841 -11.271 5.623 1.00 0.48 H new ATOM 0 HB3 CYS A 91 22.618 -9.590 5.178 1.00 0.48 H new ATOM 0 HG CYS A 91 22.195 -9.827 7.956 1.00 1.20 H new ATOM 1437 N LEU A 92 22.318 -10.113 2.427 1.00 0.31 N ATOM 1438 CA LEU A 92 23.153 -10.226 1.242 1.00 0.32 C ATOM 1439 C LEU A 92 24.503 -9.585 1.509 1.00 0.28 C ATOM 1440 O LEU A 92 24.577 -8.426 1.924 1.00 0.39 O ATOM 1441 CB LEU A 92 22.495 -9.555 0.031 1.00 0.40 C ATOM 1442 CG LEU A 92 21.123 -10.107 -0.366 1.00 0.79 C ATOM 1443 CD1 LEU A 92 20.606 -9.415 -1.619 1.00 1.39 C ATOM 1444 CD2 LEU A 92 21.189 -11.609 -0.575 1.00 1.73 C ATOM 0 H LEU A 92 22.073 -9.156 2.680 1.00 0.31 H new ATOM 0 HA LEU A 92 23.282 -11.284 1.015 1.00 0.32 H new ATOM 0 HB2 LEU A 92 22.392 -8.490 0.240 1.00 0.40 H new ATOM 0 HB3 LEU A 92 23.166 -9.649 -0.823 1.00 0.40 H new ATOM 0 HG LEU A 92 20.427 -9.905 0.448 1.00 0.79 H new ATOM 0 HD11 LEU A 92 19.630 -9.822 -1.883 1.00 1.39 H new ATOM 0 HD12 LEU A 92 20.514 -8.345 -1.432 1.00 1.39 H new ATOM 0 HD13 LEU A 92 21.303 -9.581 -2.440 1.00 1.39 H new ATOM 0 HD21 LEU A 92 20.204 -11.981 -0.856 1.00 1.73 H new ATOM 0 HD22 LEU A 92 21.902 -11.835 -1.368 1.00 1.73 H new ATOM 0 HD23 LEU A 92 21.509 -12.091 0.349 1.00 1.73 H new ATOM 1456 N VAL A 93 25.566 -10.335 1.280 1.00 0.25 N ATOM 1457 CA VAL A 93 26.908 -9.822 1.498 1.00 0.25 C ATOM 1458 C VAL A 93 27.536 -9.421 0.168 1.00 0.23 C ATOM 1459 O VAL A 93 27.317 -10.072 -0.855 1.00 0.26 O ATOM 1460 CB VAL A 93 27.803 -10.856 2.230 1.00 0.34 C ATOM 1461 CG1 VAL A 93 27.947 -12.133 1.413 1.00 0.74 C ATOM 1462 CG2 VAL A 93 29.168 -10.261 2.552 1.00 0.60 C ATOM 0 H VAL A 93 25.528 -11.297 0.945 1.00 0.25 H new ATOM 0 HA VAL A 93 26.832 -8.943 2.138 1.00 0.25 H new ATOM 0 HB VAL A 93 27.315 -11.114 3.170 1.00 0.34 H new ATOM 0 HG11 VAL A 93 28.579 -12.839 1.951 1.00 0.74 H new ATOM 0 HG12 VAL A 93 26.964 -12.575 1.253 1.00 0.74 H new ATOM 0 HG13 VAL A 93 28.401 -11.900 0.450 1.00 0.74 H new ATOM 0 HG21 VAL A 93 29.777 -11.005 3.065 1.00 0.60 H new ATOM 0 HG22 VAL A 93 29.662 -9.962 1.627 1.00 0.60 H new ATOM 0 HG23 VAL A 93 29.043 -9.389 3.194 1.00 0.60 H new ATOM 1472 N ARG A 94 28.293 -8.335 0.185 1.00 0.25 N ATOM 1473 CA ARG A 94 28.939 -7.838 -1.020 1.00 0.30 C ATOM 1474 C ARG A 94 30.398 -8.258 -1.003 1.00 0.33 C ATOM 1475 O ARG A 94 31.175 -7.807 -0.161 1.00 0.38 O ATOM 1476 CB ARG A 94 28.823 -6.312 -1.099 1.00 0.40 C ATOM 1477 CG ARG A 94 27.440 -5.790 -0.735 1.00 0.92 C ATOM 1478 CD ARG A 94 26.370 -6.207 -1.739 1.00 0.65 C ATOM 1479 NE ARG A 94 26.201 -5.231 -2.811 1.00 0.89 N ATOM 1480 CZ ARG A 94 25.432 -4.142 -2.713 1.00 1.05 C ATOM 1481 NH1 ARG A 94 24.769 -3.883 -1.589 1.00 1.71 N ATOM 1482 NH2 ARG A 94 25.298 -3.328 -3.746 1.00 1.58 N ATOM 0 H ARG A 94 28.475 -7.780 1.021 1.00 0.25 H new ATOM 0 HA ARG A 94 28.448 -8.258 -1.897 1.00 0.30 H new ATOM 0 HB2 ARG A 94 29.559 -5.864 -0.431 1.00 0.40 H new ATOM 0 HB3 ARG A 94 29.071 -5.988 -2.110 1.00 0.40 H new ATOM 0 HG2 ARG A 94 27.167 -6.157 0.254 1.00 0.92 H new ATOM 0 HG3 ARG A 94 27.471 -4.702 -0.674 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.636 -7.172 -2.169 1.00 0.65 H new ATOM 0 HD3 ARG A 94 25.421 -6.340 -1.220 1.00 0.65 H new ATOM 0 HE ARG A 94 26.699 -5.389 -3.687 1.00 0.89 H new ATOM 0 HH11 ARG A 94 24.845 -4.518 -0.794 1.00 1.71 H new ATOM 0 HH12 ARG A 94 24.184 -3.050 -1.522 1.00 1.71 H new ATOM 0 HH21 ARG A 94 25.782 -3.530 -4.621 1.00 1.58 H new ATOM 0 HH22 ARG A 94 24.711 -2.498 -3.668 1.00 1.58 H new ATOM 1496 N ILE A 95 30.764 -9.134 -1.921 1.00 0.35 N ATOM 1497 CA ILE A 95 32.093 -9.717 -1.917 1.00 0.38 C ATOM 1498 C ILE A 95 33.073 -8.841 -2.683 1.00 0.41 C ATOM 1499 O ILE A 95 33.088 -8.818 -3.913 1.00 0.45 O ATOM 1500 CB ILE A 95 32.117 -11.162 -2.495 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.309 -12.129 -1.616 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.549 -11.666 -2.626 1.00 0.52 C ATOM 1503 CD1 ILE A 95 29.809 -11.977 -1.738 1.00 0.51 C ATOM 0 H ILE A 95 30.161 -9.457 -2.678 1.00 0.35 H new ATOM 0 HA ILE A 95 32.398 -9.776 -0.872 1.00 0.38 H new ATOM 0 HB ILE A 95 31.658 -11.125 -3.483 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.581 -13.152 -1.877 1.00 0.47 H new ATOM 0 HG13 ILE A 95 31.594 -11.979 -0.575 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.543 -12.678 -3.032 1.00 0.52 H new ATOM 0 HG22 ILE A 95 34.106 -11.010 -3.295 1.00 0.52 H new ATOM 0 HG23 ILE A 95 34.024 -11.671 -1.645 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.316 -12.697 -1.085 1.00 0.51 H new ATOM 0 HD12 ILE A 95 29.521 -10.967 -1.448 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.508 -12.158 -2.770 1.00 0.51 H new ATOM 1515 N GLU A 96 33.858 -8.086 -1.932 1.00 0.43 N ATOM 1516 CA GLU A 96 34.977 -7.350 -2.484 1.00 0.49 C ATOM 1517 C GLU A 96 36.146 -8.315 -2.668 1.00 0.45 C ATOM 1518 O GLU A 96 36.184 -9.374 -2.041 1.00 0.45 O ATOM 1519 CB GLU A 96 35.346 -6.188 -1.545 1.00 0.55 C ATOM 1520 CG GLU A 96 36.561 -5.376 -1.975 1.00 0.77 C ATOM 1521 CD GLU A 96 36.429 -4.803 -3.370 1.00 0.88 C ATOM 1522 OE1 GLU A 96 35.837 -3.715 -3.520 1.00 1.19 O ATOM 1523 OE2 GLU A 96 36.928 -5.442 -4.323 1.00 1.37 O ATOM 0 H GLU A 96 33.736 -7.968 -0.926 1.00 0.43 H new ATOM 0 HA GLU A 96 34.718 -6.922 -3.452 1.00 0.49 H new ATOM 0 HB2 GLU A 96 34.490 -5.518 -1.466 1.00 0.55 H new ATOM 0 HB3 GLU A 96 35.530 -6.590 -0.549 1.00 0.55 H new ATOM 0 HG2 GLU A 96 36.715 -4.562 -1.267 1.00 0.77 H new ATOM 0 HG3 GLU A 96 37.447 -6.009 -1.931 1.00 0.77 H new ATOM 1530 N SER A 97 37.084 -7.957 -3.524 1.00 0.49 N ATOM 1531 CA SER A 97 38.242 -8.795 -3.802 1.00 0.54 C ATOM 1532 C SER A 97 39.002 -9.144 -2.521 1.00 0.52 C ATOM 1533 O SER A 97 39.504 -10.259 -2.367 1.00 0.59 O ATOM 1534 CB SER A 97 39.162 -8.077 -4.789 1.00 0.64 C ATOM 1535 OG SER A 97 39.345 -6.715 -4.421 1.00 1.00 O ATOM 0 H SER A 97 37.068 -7.081 -4.046 1.00 0.49 H new ATOM 0 HA SER A 97 37.894 -9.731 -4.240 1.00 0.54 H new ATOM 0 HB2 SER A 97 40.128 -8.581 -4.823 1.00 0.64 H new ATOM 0 HB3 SER A 97 38.738 -8.132 -5.792 1.00 0.64 H new ATOM 0 HG SER A 97 38.500 -6.231 -4.528 1.00 1.00 H new ATOM 1541 N MET A 98 39.055 -8.191 -1.591 1.00 0.48 N ATOM 1542 CA MET A 98 39.749 -8.387 -0.319 1.00 0.53 C ATOM 1543 C MET A 98 38.915 -9.247 0.635 1.00 0.49 C ATOM 1544 O MET A 98 39.387 -9.652 1.696 1.00 0.58 O ATOM 1545 CB MET A 98 40.081 -7.032 0.324 1.00 0.59 C ATOM 1546 CG MET A 98 38.852 -6.212 0.691 1.00 0.57 C ATOM 1547 SD MET A 98 39.260 -4.542 1.220 1.00 0.79 S ATOM 1548 CE MET A 98 39.999 -3.886 -0.272 1.00 1.79 C ATOM 0 H MET A 98 38.624 -7.272 -1.696 1.00 0.48 H new ATOM 0 HA MET A 98 40.682 -8.915 -0.518 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.675 -7.202 1.222 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.700 -6.455 -0.363 1.00 0.59 H new ATOM 0 HG2 MET A 98 38.184 -6.163 -0.169 1.00 0.57 H new ATOM 0 HG3 MET A 98 38.308 -6.718 1.489 1.00 0.57 H new ATOM 0 HE1 MET A 98 39.932 -2.798 -0.263 1.00 1.79 H new ATOM 0 HE2 MET A 98 41.046 -4.185 -0.321 1.00 1.79 H new ATOM 0 HE3 MET A 98 39.470 -4.275 -1.142 1.00 1.79 H new ATOM 1558 N TYR A 99 37.673 -9.526 0.255 1.00 0.41 N ATOM 1559 CA TYR A 99 36.805 -10.382 1.053 1.00 0.43 C ATOM 1560 C TYR A 99 36.854 -11.811 0.531 1.00 0.49 C ATOM 1561 O TYR A 99 36.220 -12.710 1.093 1.00 0.48 O ATOM 1562 CB TYR A 99 35.355 -9.891 1.029 1.00 0.43 C ATOM 1563 CG TYR A 99 35.128 -8.538 1.662 1.00 0.46 C ATOM 1564 CD1 TYR A 99 36.043 -7.987 2.553 1.00 0.51 C ATOM 1565 CD2 TYR A 99 33.980 -7.816 1.374 1.00 0.53 C ATOM 1566 CE1 TYR A 99 35.818 -6.751 3.128 1.00 0.59 C ATOM 1567 CE2 TYR A 99 33.748 -6.581 1.945 1.00 0.62 C ATOM 1568 CZ TYR A 99 34.667 -6.053 2.823 1.00 0.63 C ATOM 1569 OH TYR A 99 34.434 -4.825 3.393 1.00 0.75 O ATOM 0 H TYR A 99 37.245 -9.172 -0.601 1.00 0.41 H new ATOM 0 HA TYR A 99 37.167 -10.347 2.081 1.00 0.43 H new ATOM 0 HB2 TYR A 99 35.018 -9.852 -0.007 1.00 0.43 H new ATOM 0 HB3 TYR A 99 34.731 -10.624 1.540 1.00 0.43 H new ATOM 0 HD1 TYR A 99 36.942 -8.533 2.799 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.253 -8.228 0.690 1.00 0.53 H new ATOM 0 HE1 TYR A 99 36.540 -6.333 3.814 1.00 0.59 H new ATOM 0 HE2 TYR A 99 32.850 -6.032 1.704 1.00 0.62 H new ATOM 0 HH TYR A 99 34.579 -4.881 4.361 1.00 0.75 H new ATOM 1579 N GLY A 100 37.607 -12.005 -0.545 1.00 0.60 N ATOM 1580 CA GLY A 100 37.714 -13.310 -1.158 1.00 0.71 C ATOM 1581 C GLY A 100 39.148 -13.680 -1.478 1.00 0.67 C ATOM 1582 O GLY A 100 40.081 -13.210 -0.824 1.00 0.67 O ATOM 0 H GLY A 100 38.149 -11.273 -1.005 1.00 0.60 H new ATOM 0 HA2 GLY A 100 37.289 -14.059 -0.490 1.00 0.71 H new ATOM 0 HA3 GLY A 100 37.124 -13.328 -2.074 1.00 0.71 H new ATOM 1586 N TYR A 101 39.324 -14.517 -2.491 1.00 0.76 N ATOM 1587 CA TYR A 101 40.650 -14.991 -2.875 1.00 0.86 C ATOM 1588 C TYR A 101 41.235 -14.177 -4.025 1.00 0.93 C ATOM 1589 O TYR A 101 42.356 -14.434 -4.468 1.00 1.52 O ATOM 1590 CB TYR A 101 40.591 -16.473 -3.252 1.00 1.01 C ATOM 1591 CG TYR A 101 40.620 -17.392 -2.056 1.00 0.86 C ATOM 1592 CD1 TYR A 101 39.470 -17.663 -1.324 1.00 0.75 C ATOM 1593 CD2 TYR A 101 41.808 -17.981 -1.652 1.00 1.09 C ATOM 1594 CE1 TYR A 101 39.510 -18.486 -0.216 1.00 0.74 C ATOM 1595 CE2 TYR A 101 41.854 -18.810 -0.550 1.00 1.14 C ATOM 1596 CZ TYR A 101 40.704 -19.060 0.163 1.00 0.92 C ATOM 1597 OH TYR A 101 40.751 -19.873 1.273 1.00 1.09 O ATOM 0 H TYR A 101 38.564 -14.884 -3.064 1.00 0.76 H new ATOM 0 HA TYR A 101 41.307 -14.863 -2.015 1.00 0.86 H new ATOM 0 HB2 TYR A 101 39.682 -16.660 -3.824 1.00 1.01 H new ATOM 0 HB3 TYR A 101 41.432 -16.709 -3.904 1.00 1.01 H new ATOM 0 HD1 TYR A 101 38.531 -17.223 -1.626 1.00 0.75 H new ATOM 0 HD2 TYR A 101 42.713 -17.788 -2.209 1.00 1.09 H new ATOM 0 HE1 TYR A 101 38.611 -18.679 0.350 1.00 0.74 H new ATOM 0 HE2 TYR A 101 42.788 -19.260 -0.249 1.00 1.14 H new ATOM 0 HH TYR A 101 39.847 -19.984 1.636 1.00 1.09 H new ATOM 1681 N SER A 109 32.567 -19.318 -9.613 1.00 0.97 N ATOM 1682 CA SER A 109 31.869 -18.987 -10.841 1.00 0.88 C ATOM 1683 C SER A 109 32.594 -17.869 -11.592 1.00 0.77 C ATOM 1684 O SER A 109 33.261 -18.129 -12.598 1.00 0.85 O ATOM 1685 CB SER A 109 30.424 -18.589 -10.522 1.00 0.92 C ATOM 1686 OG SER A 109 29.575 -18.774 -11.642 1.00 1.52 O ATOM 0 HA SER A 109 31.855 -19.863 -11.489 1.00 0.88 H new ATOM 0 HB2 SER A 109 30.058 -19.183 -9.685 1.00 0.92 H new ATOM 0 HB3 SER A 109 30.394 -17.545 -10.209 1.00 0.92 H new ATOM 0 HG SER A 109 28.731 -19.178 -11.350 1.00 1.52 H new ATOM 1692 N ILE A 110 32.503 -16.640 -11.085 1.00 0.68 N ATOM 1693 CA ILE A 110 33.166 -15.496 -11.716 1.00 0.65 C ATOM 1694 C ILE A 110 33.701 -14.504 -10.676 1.00 0.63 C ATOM 1695 O ILE A 110 33.168 -13.404 -10.517 1.00 0.75 O ATOM 1696 CB ILE A 110 32.254 -14.732 -12.724 1.00 0.64 C ATOM 1697 CG1 ILE A 110 30.882 -14.361 -12.114 1.00 0.66 C ATOM 1698 CG2 ILE A 110 32.075 -15.532 -14.012 1.00 0.72 C ATOM 1699 CD1 ILE A 110 29.855 -15.478 -12.137 1.00 0.74 C ATOM 0 H ILE A 110 31.978 -16.410 -10.241 1.00 0.68 H new ATOM 0 HA ILE A 110 33.998 -15.926 -12.274 1.00 0.65 H new ATOM 0 HB ILE A 110 32.761 -13.797 -12.962 1.00 0.64 H new ATOM 0 HG12 ILE A 110 31.032 -14.045 -11.082 1.00 0.66 H new ATOM 0 HG13 ILE A 110 30.479 -13.504 -12.654 1.00 0.66 H new ATOM 0 HG21 ILE A 110 31.435 -14.978 -14.699 1.00 0.72 H new ATOM 0 HG22 ILE A 110 33.047 -15.697 -14.476 1.00 0.72 H new ATOM 0 HG23 ILE A 110 31.615 -16.493 -13.782 1.00 0.72 H new ATOM 0 HD11 ILE A 110 28.925 -15.127 -11.689 1.00 0.74 H new ATOM 0 HD12 ILE A 110 29.670 -15.781 -13.168 1.00 0.74 H new ATOM 0 HD13 ILE A 110 30.231 -16.330 -11.571 1.00 0.74 H new ATOM 1711 N PRO A 111 34.763 -14.879 -9.954 1.00 0.70 N ATOM 1712 CA PRO A 111 35.385 -14.016 -8.962 1.00 0.78 C ATOM 1713 C PRO A 111 36.532 -13.185 -9.543 1.00 0.79 C ATOM 1714 O PRO A 111 36.604 -12.957 -10.752 1.00 1.58 O ATOM 1715 CB PRO A 111 35.908 -15.025 -7.948 1.00 1.10 C ATOM 1716 CG PRO A 111 36.246 -16.240 -8.752 1.00 1.22 C ATOM 1717 CD PRO A 111 35.439 -16.181 -10.027 1.00 0.89 C ATOM 0 HA PRO A 111 34.696 -13.277 -8.552 1.00 0.78 H new ATOM 0 HB2 PRO A 111 36.784 -14.641 -7.425 1.00 1.10 H new ATOM 0 HB3 PRO A 111 35.157 -15.249 -7.190 1.00 1.10 H new ATOM 0 HG2 PRO A 111 37.313 -16.268 -8.975 1.00 1.22 H new ATOM 0 HG3 PRO A 111 36.013 -17.146 -8.193 1.00 1.22 H new ATOM 0 HD2 PRO A 111 36.077 -16.252 -10.908 1.00 0.89 H new ATOM 0 HD3 PRO A 111 34.723 -17.001 -10.086 1.00 0.89 H new ATOM 1725 N GLY A 112 37.422 -12.725 -8.673 1.00 0.95 N ATOM 1726 CA GLY A 112 38.556 -11.937 -9.110 1.00 1.02 C ATOM 1727 C GLY A 112 38.551 -10.567 -8.474 1.00 1.09 C ATOM 1728 O GLY A 112 38.346 -10.446 -7.267 1.00 2.05 O ATOM 0 H GLY A 112 37.377 -12.885 -7.667 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.481 -12.455 -8.856 1.00 1.02 H new ATOM 0 HA3 GLY A 112 38.535 -11.836 -10.195 1.00 1.02 H new ATOM 1732 N ASN A 113 38.761 -9.532 -9.275 1.00 0.74 N ATOM 1733 CA ASN A 113 38.704 -8.159 -8.780 1.00 0.84 C ATOM 1734 C ASN A 113 37.325 -7.568 -9.058 1.00 0.75 C ATOM 1735 O ASN A 113 37.146 -6.354 -9.142 1.00 1.00 O ATOM 1736 CB ASN A 113 39.796 -7.315 -9.441 1.00 1.00 C ATOM 1737 CG ASN A 113 40.002 -5.964 -8.771 1.00 1.49 C ATOM 1738 OD1 ASN A 113 39.776 -5.899 -7.468 1.00 2.03 O flip ATOM 1739 ND2 ASN A 113 40.383 -4.988 -9.421 1.00 1.79 N flip ATOM 0 H ASN A 113 38.972 -9.614 -10.269 1.00 0.74 H new ATOM 0 HA ASN A 113 38.875 -8.158 -7.703 1.00 0.84 H new ATOM 0 HB2 ASN A 113 40.735 -7.869 -9.422 1.00 1.00 H new ATOM 0 HB3 ASN A 113 39.540 -7.158 -10.489 1.00 1.00 H new ATOM 0 HD21 ASN A 113 40.547 -5.076 -10.424 1.00 1.79 H new ATOM 0 HD22 ASN A 113 40.534 -4.093 -8.956 1.00 1.79 H new ATOM 1746 N SER A 114 36.350 -8.446 -9.193 1.00 0.57 N ATOM 1747 CA SER A 114 34.978 -8.041 -9.423 1.00 0.58 C ATOM 1748 C SER A 114 34.170 -8.218 -8.148 1.00 0.50 C ATOM 1749 O SER A 114 34.433 -9.131 -7.364 1.00 0.59 O ATOM 1750 CB SER A 114 34.366 -8.873 -10.546 1.00 0.65 C ATOM 1751 OG SER A 114 35.184 -8.852 -11.702 1.00 1.14 O ATOM 0 H SER A 114 36.486 -9.456 -9.147 1.00 0.57 H new ATOM 0 HA SER A 114 34.962 -6.991 -9.715 1.00 0.58 H new ATOM 0 HB2 SER A 114 34.233 -9.901 -10.210 1.00 0.65 H new ATOM 0 HB3 SER A 114 33.376 -8.487 -10.790 1.00 0.65 H new ATOM 0 HG SER A 114 34.770 -9.394 -12.406 1.00 1.14 H new ATOM 1757 N VAL A 115 33.202 -7.342 -7.938 1.00 0.44 N ATOM 1758 CA VAL A 115 32.336 -7.435 -6.774 1.00 0.38 C ATOM 1759 C VAL A 115 31.131 -8.330 -7.068 1.00 0.31 C ATOM 1760 O VAL A 115 30.489 -8.213 -8.116 1.00 0.31 O ATOM 1761 CB VAL A 115 31.868 -6.032 -6.315 1.00 0.44 C ATOM 1762 CG1 VAL A 115 31.114 -5.304 -7.415 1.00 0.48 C ATOM 1763 CG2 VAL A 115 31.010 -6.124 -5.062 1.00 0.42 C ATOM 0 H VAL A 115 32.996 -6.559 -8.558 1.00 0.44 H new ATOM 0 HA VAL A 115 32.911 -7.883 -5.964 1.00 0.38 H new ATOM 0 HB VAL A 115 32.764 -5.456 -6.082 1.00 0.44 H new ATOM 0 HG11 VAL A 115 30.802 -4.324 -7.055 1.00 0.48 H new ATOM 0 HG12 VAL A 115 31.763 -5.182 -8.282 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.235 -5.883 -7.698 1.00 0.48 H new ATOM 0 HG21 VAL A 115 30.695 -5.124 -4.762 1.00 0.42 H new ATOM 0 HG22 VAL A 115 30.131 -6.735 -5.267 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.588 -6.579 -4.258 1.00 0.42 H new ATOM 1773 N LEU A 116 30.857 -9.252 -6.158 1.00 0.28 N ATOM 1774 CA LEU A 116 29.701 -10.126 -6.277 1.00 0.25 C ATOM 1775 C LEU A 116 28.800 -9.950 -5.063 1.00 0.28 C ATOM 1776 O LEU A 116 29.190 -9.328 -4.079 1.00 0.37 O ATOM 1777 CB LEU A 116 30.106 -11.610 -6.368 1.00 0.30 C ATOM 1778 CG LEU A 116 30.927 -12.030 -7.596 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.396 -11.674 -7.423 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.770 -13.522 -7.849 1.00 0.50 C ATOM 0 H LEU A 116 31.423 -9.414 -5.325 1.00 0.28 H new ATOM 0 HA LEU A 116 29.180 -9.851 -7.194 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.678 -11.861 -5.475 1.00 0.30 H new ATOM 0 HB3 LEU A 116 29.198 -12.212 -6.345 1.00 0.30 H new ATOM 0 HG LEU A 116 30.548 -11.483 -8.459 1.00 0.33 H new ATOM 0 HD11 LEU A 116 32.952 -11.983 -8.308 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.496 -10.597 -7.290 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.794 -12.186 -6.547 1.00 0.51 H new ATOM 0 HD21 LEU A 116 31.357 -13.807 -8.722 1.00 0.50 H new ATOM 0 HD22 LEU A 116 31.121 -14.077 -6.979 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.720 -13.752 -8.027 1.00 0.50 H new ATOM 1792 N LEU A 117 27.604 -10.507 -5.134 1.00 0.31 N ATOM 1793 CA LEU A 117 26.716 -10.550 -3.982 1.00 0.38 C ATOM 1794 C LEU A 117 26.021 -11.902 -3.900 1.00 0.31 C ATOM 1795 O LEU A 117 25.368 -12.340 -4.849 1.00 0.38 O ATOM 1796 CB LEU A 117 25.692 -9.401 -3.998 1.00 0.61 C ATOM 1797 CG LEU A 117 25.391 -8.753 -5.359 1.00 0.38 C ATOM 1798 CD1 LEU A 117 24.712 -9.725 -6.309 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.526 -7.515 -5.168 1.00 0.59 C ATOM 0 H LEU A 117 27.224 -10.937 -5.977 1.00 0.31 H new ATOM 0 HA LEU A 117 27.327 -10.416 -3.089 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.755 -9.777 -3.587 1.00 0.61 H new ATOM 0 HB3 LEU A 117 26.046 -8.622 -3.323 1.00 0.61 H new ATOM 0 HG LEU A 117 26.342 -8.465 -5.807 1.00 0.38 H new ATOM 0 HD11 LEU A 117 24.516 -9.228 -7.259 1.00 0.70 H new ATOM 0 HD12 LEU A 117 25.361 -10.584 -6.476 1.00 0.70 H new ATOM 0 HD13 LEU A 117 23.770 -10.061 -5.874 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.318 -7.063 -6.138 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.588 -7.797 -4.691 1.00 0.59 H new ATOM 0 HD23 LEU A 117 25.052 -6.797 -4.539 1.00 0.59 H new ATOM 1811 N PHE A 118 26.194 -12.574 -2.774 1.00 0.30 N ATOM 1812 CA PHE A 118 25.604 -13.888 -2.579 1.00 0.34 C ATOM 1813 C PHE A 118 24.496 -13.851 -1.540 1.00 0.34 C ATOM 1814 O PHE A 118 24.595 -13.151 -0.529 1.00 0.37 O ATOM 1815 CB PHE A 118 26.662 -14.913 -2.156 1.00 0.43 C ATOM 1816 CG PHE A 118 27.700 -15.195 -3.204 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.330 -15.557 -4.487 1.00 0.39 C ATOM 1818 CD2 PHE A 118 29.050 -15.107 -2.901 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.284 -15.826 -5.446 1.00 0.38 C ATOM 1820 CE2 PHE A 118 30.010 -15.376 -3.857 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.626 -15.735 -5.132 1.00 0.38 C ATOM 0 H PHE A 118 26.738 -12.232 -1.982 1.00 0.30 H new ATOM 0 HA PHE A 118 25.178 -14.189 -3.536 1.00 0.34 H new ATOM 0 HB2 PHE A 118 27.160 -14.554 -1.255 1.00 0.43 H new ATOM 0 HB3 PHE A 118 26.163 -15.846 -1.894 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.283 -15.630 -4.740 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.355 -14.824 -1.904 1.00 0.38 H new ATOM 0 HE1 PHE A 118 27.981 -16.108 -6.444 1.00 0.38 H new ATOM 0 HE2 PHE A 118 31.058 -15.305 -3.607 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.373 -15.945 -5.883 1.00 0.38 H new ATOM 1831 N GLU A 119 23.438 -14.598 -1.815 1.00 0.33 N ATOM 1832 CA GLU A 119 22.379 -14.815 -0.852 1.00 0.37 C ATOM 1833 C GLU A 119 22.812 -15.890 0.118 1.00 0.34 C ATOM 1834 O GLU A 119 23.112 -17.013 -0.286 1.00 0.47 O ATOM 1835 CB GLU A 119 21.082 -15.240 -1.550 1.00 0.56 C ATOM 1836 CG GLU A 119 20.638 -14.287 -2.643 1.00 0.82 C ATOM 1837 CD GLU A 119 19.355 -14.728 -3.311 1.00 1.18 C ATOM 1838 OE1 GLU A 119 18.268 -14.399 -2.791 1.00 1.46 O ATOM 1839 OE2 GLU A 119 19.424 -15.411 -4.351 1.00 1.43 O ATOM 0 H GLU A 119 23.293 -15.067 -2.709 1.00 0.33 H new ATOM 0 HA GLU A 119 22.188 -13.883 -0.320 1.00 0.37 H new ATOM 0 HB2 GLU A 119 21.219 -16.233 -1.979 1.00 0.56 H new ATOM 0 HB3 GLU A 119 20.289 -15.321 -0.806 1.00 0.56 H new ATOM 0 HG2 GLU A 119 20.500 -13.292 -2.219 1.00 0.82 H new ATOM 0 HG3 GLU A 119 21.425 -14.207 -3.393 1.00 0.82 H new ATOM 1846 N ILE A 120 22.881 -15.541 1.385 1.00 0.29 N ATOM 1847 CA ILE A 120 23.215 -16.507 2.409 1.00 0.31 C ATOM 1848 C ILE A 120 21.975 -16.818 3.227 1.00 0.31 C ATOM 1849 O ILE A 120 21.220 -15.915 3.581 1.00 0.33 O ATOM 1850 CB ILE A 120 24.362 -16.010 3.318 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.652 -15.861 2.497 1.00 0.33 C ATOM 1852 CG2 ILE A 120 24.574 -16.957 4.497 1.00 0.48 C ATOM 1853 CD1 ILE A 120 26.863 -15.453 3.312 1.00 0.39 C ATOM 0 H ILE A 120 22.710 -14.596 1.730 1.00 0.29 H new ATOM 0 HA ILE A 120 23.569 -17.416 1.923 1.00 0.31 H new ATOM 0 HB ILE A 120 24.089 -15.035 3.722 1.00 0.34 H new ATOM 0 HG12 ILE A 120 25.865 -16.808 2.000 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.488 -15.120 1.715 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.386 -16.585 5.121 1.00 0.48 H new ATOM 0 HG22 ILE A 120 23.659 -17.013 5.087 1.00 0.48 H new ATOM 0 HG23 ILE A 120 24.828 -17.950 4.125 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.731 -15.370 2.658 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.674 -14.491 3.788 1.00 0.39 H new ATOM 0 HD13 ILE A 120 27.056 -16.204 4.078 1.00 0.39 H new ATOM 1865 N GLU A 121 21.750 -18.102 3.479 1.00 0.36 N ATOM 1866 CA GLU A 121 20.561 -18.556 4.193 1.00 0.40 C ATOM 1867 C GLU A 121 20.931 -19.596 5.254 1.00 0.35 C ATOM 1868 O GLU A 121 21.385 -20.693 4.920 1.00 0.40 O ATOM 1869 CB GLU A 121 19.554 -19.154 3.199 1.00 0.60 C ATOM 1870 CG GLU A 121 19.160 -18.195 2.083 1.00 1.06 C ATOM 1871 CD GLU A 121 18.211 -18.806 1.069 1.00 1.43 C ATOM 1872 OE1 GLU A 121 18.042 -20.047 1.083 1.00 1.67 O ATOM 1873 OE2 GLU A 121 17.627 -18.058 0.254 1.00 1.88 O ATOM 0 H GLU A 121 22.380 -18.853 3.197 1.00 0.36 H new ATOM 0 HA GLU A 121 20.108 -17.700 4.694 1.00 0.40 H new ATOM 0 HB2 GLU A 121 19.981 -20.055 2.759 1.00 0.60 H new ATOM 0 HB3 GLU A 121 18.658 -19.457 3.740 1.00 0.60 H new ATOM 0 HG2 GLU A 121 18.693 -17.313 2.521 1.00 1.06 H new ATOM 0 HG3 GLU A 121 20.060 -17.858 1.569 1.00 1.06 H new ATOM 1880 N LEU A 122 20.739 -19.251 6.527 1.00 0.33 N ATOM 1881 CA LEU A 122 21.075 -20.151 7.632 1.00 0.33 C ATOM 1882 C LEU A 122 19.924 -21.125 7.876 1.00 0.38 C ATOM 1883 O LEU A 122 19.001 -20.825 8.629 1.00 0.54 O ATOM 1884 CB LEU A 122 21.341 -19.345 8.913 1.00 0.38 C ATOM 1885 CG LEU A 122 22.206 -20.036 9.977 1.00 0.43 C ATOM 1886 CD1 LEU A 122 23.685 -19.818 9.695 1.00 0.80 C ATOM 1887 CD2 LEU A 122 21.837 -19.540 11.366 1.00 1.12 C ATOM 0 H LEU A 122 20.352 -18.354 6.820 1.00 0.33 H new ATOM 0 HA LEU A 122 21.974 -20.708 7.367 1.00 0.33 H new ATOM 0 HB2 LEU A 122 21.822 -18.407 8.635 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.382 -19.089 9.363 1.00 0.38 H new ATOM 0 HG LEU A 122 22.012 -21.108 9.936 1.00 0.43 H new ATOM 0 HD11 LEU A 122 24.279 -20.316 10.461 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.934 -20.231 8.717 1.00 0.80 H new ATOM 0 HD13 LEU A 122 23.904 -18.750 9.704 1.00 0.80 H new ATOM 0 HD21 LEU A 122 22.459 -20.040 12.108 1.00 1.12 H new ATOM 0 HD22 LEU A 122 21.998 -18.464 11.423 1.00 1.12 H new ATOM 0 HD23 LEU A 122 20.788 -19.761 11.564 1.00 1.12 H new ATOM 1899 N LEU A 123 19.970 -22.284 7.233 1.00 0.39 N ATOM 1900 CA LEU A 123 18.887 -23.252 7.348 1.00 0.47 C ATOM 1901 C LEU A 123 19.052 -24.122 8.589 1.00 0.47 C ATOM 1902 O LEU A 123 18.071 -24.461 9.252 1.00 0.59 O ATOM 1903 CB LEU A 123 18.783 -24.105 6.074 1.00 0.55 C ATOM 1904 CG LEU A 123 20.059 -24.838 5.641 1.00 0.58 C ATOM 1905 CD1 LEU A 123 20.058 -26.272 6.149 1.00 1.00 C ATOM 1906 CD2 LEU A 123 20.202 -24.810 4.127 1.00 0.77 C ATOM 0 H LEU A 123 20.740 -22.576 6.630 1.00 0.39 H new ATOM 0 HA LEU A 123 17.953 -22.702 7.460 1.00 0.47 H new ATOM 0 HB2 LEU A 123 17.996 -24.845 6.221 1.00 0.55 H new ATOM 0 HB3 LEU A 123 18.464 -23.460 5.255 1.00 0.55 H new ATOM 0 HG LEU A 123 20.913 -24.322 6.080 1.00 0.58 H new ATOM 0 HD11 LEU A 123 20.972 -26.772 5.830 1.00 1.00 H new ATOM 0 HD12 LEU A 123 20.006 -26.272 7.238 1.00 1.00 H new ATOM 0 HD13 LEU A 123 19.195 -26.801 5.744 1.00 1.00 H new ATOM 0 HD21 LEU A 123 21.113 -25.335 3.838 1.00 0.77 H new ATOM 0 HD22 LEU A 123 19.341 -25.299 3.671 1.00 0.77 H new ATOM 0 HD23 LEU A 123 20.255 -23.776 3.786 1.00 0.77 H new ATOM 1918 N SER A 124 20.290 -24.463 8.915 1.00 0.44 N ATOM 1919 CA SER A 124 20.577 -25.265 10.095 1.00 0.47 C ATOM 1920 C SER A 124 21.871 -24.794 10.744 1.00 0.43 C ATOM 1921 O SER A 124 22.760 -24.281 10.064 1.00 0.48 O ATOM 1922 CB SER A 124 20.674 -26.753 9.733 1.00 0.63 C ATOM 1923 OG SER A 124 19.436 -27.250 9.242 1.00 1.19 O ATOM 0 H SER A 124 21.114 -24.196 8.377 1.00 0.44 H new ATOM 0 HA SER A 124 19.759 -25.140 10.804 1.00 0.47 H new ATOM 0 HB2 SER A 124 21.449 -26.896 8.980 1.00 0.63 H new ATOM 0 HB3 SER A 124 20.974 -27.324 10.612 1.00 0.63 H new ATOM 0 HG SER A 124 19.530 -28.200 9.019 1.00 1.19 H new ATOM 1929 N PHE A 125 21.967 -24.961 12.055 1.00 0.39 N ATOM 1930 CA PHE A 125 23.148 -24.556 12.808 1.00 0.43 C ATOM 1931 C PHE A 125 23.106 -25.183 14.195 1.00 0.46 C ATOM 1932 O PHE A 125 22.177 -25.927 14.515 1.00 0.46 O ATOM 1933 CB PHE A 125 23.229 -23.027 12.937 1.00 0.46 C ATOM 1934 CG PHE A 125 22.182 -22.437 13.838 1.00 0.46 C ATOM 1935 CD1 PHE A 125 20.843 -22.546 13.521 1.00 0.44 C ATOM 1936 CD2 PHE A 125 22.543 -21.775 15.001 1.00 0.62 C ATOM 1937 CE1 PHE A 125 19.876 -22.008 14.342 1.00 0.54 C ATOM 1938 CE2 PHE A 125 21.582 -21.234 15.829 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.245 -21.352 15.500 1.00 0.67 C ATOM 0 H PHE A 125 21.232 -25.379 12.626 1.00 0.39 H new ATOM 0 HA PHE A 125 24.031 -24.900 12.270 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.215 -22.756 13.315 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.134 -22.583 11.946 1.00 0.46 H new ATOM 0 HD1 PHE A 125 20.549 -23.060 12.618 1.00 0.44 H new ATOM 0 HD2 PHE A 125 23.587 -21.682 15.261 1.00 0.62 H new ATOM 0 HE1 PHE A 125 18.832 -22.099 14.081 1.00 0.54 H new ATOM 0 HE2 PHE A 125 21.874 -20.719 16.733 1.00 0.72 H new ATOM 0 HZ PHE A 125 19.490 -20.932 16.148 1.00 0.67 H new ATOM 1949 N ARG A 126 24.110 -24.883 15.004 1.00 0.60 N ATOM 1950 CA ARG A 126 24.169 -25.369 16.375 1.00 0.71 C ATOM 1951 C ARG A 126 25.110 -24.513 17.204 1.00 0.76 C ATOM 1952 O ARG A 126 26.170 -24.105 16.730 1.00 0.90 O ATOM 1953 CB ARG A 126 24.618 -26.833 16.410 1.00 0.83 C ATOM 1954 CG ARG A 126 25.729 -27.147 15.421 1.00 0.85 C ATOM 1955 CD ARG A 126 26.251 -28.563 15.590 1.00 1.12 C ATOM 1956 NE ARG A 126 25.175 -29.549 15.541 1.00 1.57 N ATOM 1957 CZ ARG A 126 25.309 -30.779 15.043 1.00 2.14 C ATOM 1958 NH1 ARG A 126 26.450 -31.163 14.496 1.00 2.47 N ATOM 1959 NH2 ARG A 126 24.289 -31.624 15.090 1.00 2.98 N ATOM 0 H ARG A 126 24.902 -24.300 14.732 1.00 0.60 H new ATOM 0 HA ARG A 126 23.169 -25.302 16.803 1.00 0.71 H new ATOM 0 HB2 ARG A 126 24.958 -27.077 17.416 1.00 0.83 H new ATOM 0 HB3 ARG A 126 23.762 -27.473 16.199 1.00 0.83 H new ATOM 0 HG2 ARG A 126 25.359 -27.015 14.404 1.00 0.85 H new ATOM 0 HG3 ARG A 126 26.547 -26.439 15.557 1.00 0.85 H new ATOM 0 HD2 ARG A 126 26.977 -28.778 14.806 1.00 1.12 H new ATOM 0 HD3 ARG A 126 26.776 -28.645 16.542 1.00 1.12 H new ATOM 0 HE ARG A 126 24.263 -29.280 15.911 1.00 1.57 H new ATOM 0 HH11 ARG A 126 27.238 -30.516 14.452 1.00 2.47 H new ATOM 0 HH12 ARG A 126 26.542 -32.106 14.118 1.00 2.47 H new ATOM 0 HH21 ARG A 126 23.404 -31.333 15.506 1.00 2.98 H new ATOM 0 HH22 ARG A 126 24.389 -32.565 14.710 1.00 2.98 H new ATOM 1973 N GLU A 127 24.704 -24.227 18.430 1.00 0.82 N ATOM 1974 CA GLU A 127 25.528 -23.459 19.344 1.00 0.88 C ATOM 1975 C GLU A 127 26.353 -24.416 20.208 1.00 1.01 C ATOM 1976 O GLU A 127 25.944 -25.555 20.442 1.00 1.11 O ATOM 1977 CB GLU A 127 24.646 -22.555 20.214 1.00 1.10 C ATOM 1978 CG GLU A 127 25.406 -21.433 20.898 1.00 1.68 C ATOM 1979 CD GLU A 127 24.517 -20.574 21.773 1.00 2.69 C ATOM 1980 OE1 GLU A 127 23.976 -21.097 22.770 1.00 3.18 O ATOM 1981 OE2 GLU A 127 24.340 -19.380 21.457 1.00 3.38 O ATOM 0 H GLU A 127 23.805 -24.517 18.815 1.00 0.82 H new ATOM 0 HA GLU A 127 26.209 -22.822 18.779 1.00 0.88 H new ATOM 0 HB2 GLU A 127 23.860 -22.124 19.594 1.00 1.10 H new ATOM 0 HB3 GLU A 127 24.155 -23.164 20.973 1.00 1.10 H new ATOM 0 HG2 GLU A 127 26.205 -21.858 21.505 1.00 1.68 H new ATOM 0 HG3 GLU A 127 25.879 -20.807 20.142 1.00 1.68 H new