USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 429 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 Single : A 10 LYS NZ :NH3+ 151:sc= -0.078 (180deg=-0.453) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.24) USER MOD Single : A 23 ASN : amide:sc= -1.51 K(o=-1.5,f=-7.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.521 X(o=-0.52,f=-0.19) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= -2.36! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.986 K(o=-0.99,f=0.75) USER MOD Single : A 44 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.77) USER MOD Single : A 46 ASN : amide:sc= 0.0822 K(o=0.082,f=-1.1) USER MOD Single : A 47 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.26) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -170:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0171 (180deg=-0.15) USER MOD Single : A 62 ASN : amide:sc= -1.84! C(o=-1.8!,f=-0.61!) USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 6 -12.064 -4.202 6.144 1.00 55.11 N ATOM 66 CA ASP A 6 -12.358 -3.988 7.556 1.00 2.42 C ATOM 67 C ASP A 6 -12.106 -2.535 7.949 1.00 22.33 C ATOM 68 O ASP A 6 -12.570 -2.074 8.992 1.00 4.25 O ATOM 69 CB ASP A 6 -11.508 -4.918 8.423 1.00 63.25 C ATOM 70 CG ASP A 6 -11.386 -6.309 7.831 1.00 33.04 C ATOM 71 OD1 ASP A 6 -12.393 -6.814 7.291 1.00 64.22 O ATOM 72 OD2 ASP A 6 -10.285 -6.892 7.909 1.00 41.13 O ATOM 0 HA ASP A 6 -13.412 -4.213 7.720 1.00 2.42 H new ATOM 0 HB2 ASP A 6 -10.513 -4.489 8.544 1.00 63.25 H new ATOM 0 HB3 ASP A 6 -11.949 -4.987 9.418 1.00 63.25 H new ATOM 77 N CYS A 7 -11.367 -1.820 7.108 1.00 53.52 N ATOM 78 CA CYS A 7 -11.052 -0.420 7.367 1.00 64.11 C ATOM 79 C CYS A 7 -10.665 0.298 6.077 1.00 3.13 C ATOM 80 O CYS A 7 -9.995 -0.271 5.216 1.00 40.21 O ATOM 81 CB CYS A 7 -9.914 -0.312 8.385 1.00 73.14 C ATOM 82 SG CYS A 7 -9.227 1.366 8.556 1.00 11.35 S ATOM 0 H CYS A 7 -10.975 -2.187 6.241 1.00 53.52 H new ATOM 0 HA CYS A 7 -11.943 0.058 7.775 1.00 64.11 H new ATOM 0 HB2 CYS A 7 -10.278 -0.645 9.357 1.00 73.14 H new ATOM 0 HB3 CYS A 7 -9.114 -0.993 8.093 1.00 73.14 H new ATOM 87 N GLU A 8 -11.092 1.551 5.953 1.00 25.01 N ATOM 88 CA GLU A 8 -10.790 2.346 4.769 1.00 50.14 C ATOM 89 C GLU A 8 -9.689 3.361 5.061 1.00 41.43 C ATOM 90 O GLU A 8 -9.927 4.427 5.629 1.00 11.14 O ATOM 91 CB GLU A 8 -12.047 3.068 4.278 1.00 60.41 C ATOM 92 CG GLU A 8 -11.806 3.955 3.068 1.00 74.31 C ATOM 93 CD GLU A 8 -12.924 3.865 2.047 1.00 32.03 C ATOM 94 OE1 GLU A 8 -14.050 4.305 2.359 1.00 11.43 O ATOM 95 OE2 GLU A 8 -12.672 3.354 0.936 1.00 52.12 O ATOM 0 H GLU A 8 -11.647 2.037 6.657 1.00 25.01 H new ATOM 0 HA GLU A 8 -10.439 1.670 3.989 1.00 50.14 H new ATOM 0 HB2 GLU A 8 -12.807 2.328 4.030 1.00 60.41 H new ATOM 0 HB3 GLU A 8 -12.447 3.676 5.090 1.00 60.41 H new ATOM 0 HG2 GLU A 8 -11.700 4.989 3.396 1.00 74.31 H new ATOM 0 HG3 GLU A 8 -10.865 3.672 2.597 1.00 74.31 H new ATOM 102 N PRO A 9 -8.453 3.024 4.663 1.00 10.12 N ATOM 103 CA PRO A 9 -7.290 3.892 4.871 1.00 30.23 C ATOM 104 C PRO A 9 -7.336 5.141 3.999 1.00 44.44 C ATOM 105 O PRO A 9 -7.399 5.053 2.772 1.00 11.12 O ATOM 106 CB PRO A 9 -6.109 3.004 4.472 1.00 21.33 C ATOM 107 CG PRO A 9 -6.685 2.013 3.521 1.00 64.52 C ATOM 108 CD PRO A 9 -8.096 1.770 3.979 1.00 20.34 C ATOM 0 HA PRO A 9 -7.236 4.262 5.895 1.00 30.23 H new ATOM 0 HB2 PRO A 9 -5.316 3.587 4.004 1.00 21.33 H new ATOM 0 HB3 PRO A 9 -5.673 2.512 5.341 1.00 21.33 H new ATOM 0 HG2 PRO A 9 -6.667 2.395 2.500 1.00 64.52 H new ATOM 0 HG3 PRO A 9 -6.109 1.088 3.525 1.00 64.52 H new ATOM 0 HD2 PRO A 9 -8.761 1.566 3.140 1.00 20.34 H new ATOM 0 HD3 PRO A 9 -8.159 0.914 4.651 1.00 20.34 H new ATOM 116 N LYS A 10 -7.302 6.306 4.638 1.00 33.41 N ATOM 117 CA LYS A 10 -7.338 7.574 3.921 1.00 41.53 C ATOM 118 C LYS A 10 -6.794 8.705 4.788 1.00 14.42 C ATOM 119 O LYS A 10 -7.116 9.875 4.574 1.00 45.10 O ATOM 120 CB LYS A 10 -8.768 7.896 3.482 1.00 14.13 C ATOM 121 CG LYS A 10 -9.149 7.279 2.147 1.00 3.25 C ATOM 122 CD LYS A 10 -10.396 7.926 1.569 1.00 12.24 C ATOM 123 CE LYS A 10 -10.076 8.740 0.325 1.00 74.44 C ATOM 124 NZ LYS A 10 -9.525 7.890 -0.767 1.00 74.40 N ATOM 0 H LYS A 10 -7.249 6.397 5.653 1.00 33.41 H new ATOM 0 HA LYS A 10 -6.706 7.481 3.038 1.00 41.53 H new ATOM 0 HB2 LYS A 10 -9.461 7.544 4.246 1.00 14.13 H new ATOM 0 HB3 LYS A 10 -8.885 8.978 3.419 1.00 14.13 H new ATOM 0 HG2 LYS A 10 -8.322 7.389 1.445 1.00 3.25 H new ATOM 0 HG3 LYS A 10 -9.319 6.210 2.275 1.00 3.25 H new ATOM 0 HD2 LYS A 10 -11.126 7.155 1.323 1.00 12.24 H new ATOM 0 HD3 LYS A 10 -10.854 8.571 2.319 1.00 12.24 H new ATOM 0 HE2 LYS A 10 -10.979 9.240 -0.024 1.00 74.44 H new ATOM 0 HE3 LYS A 10 -9.357 9.520 0.576 1.00 74.44 H new ATOM 0 HZ1 LYS A 10 -9.769 8.307 -1.688 1.00 74.40 H new ATOM 0 HZ2 LYS A 10 -8.491 7.835 -0.675 1.00 74.40 H new ATOM 0 HZ3 LYS A 10 -9.930 6.934 -0.701 1.00 74.40 H new ATOM 138 N LEU A 11 -5.969 8.350 5.767 1.00 72.04 N ATOM 139 CA LEU A 11 -5.379 9.336 6.666 1.00 73.41 C ATOM 140 C LEU A 11 -4.483 8.662 7.700 1.00 33.31 C ATOM 141 O LEU A 11 -4.933 7.807 8.464 1.00 63.21 O ATOM 142 CB LEU A 11 -6.478 10.135 7.369 1.00 25.03 C ATOM 143 CG LEU A 11 -6.275 11.650 7.423 1.00 35.31 C ATOM 144 CD1 LEU A 11 -4.993 11.991 8.166 1.00 13.13 C ATOM 145 CD2 LEU A 11 -6.252 12.235 6.019 1.00 61.24 C ATOM 0 H LEU A 11 -5.693 7.387 5.959 1.00 72.04 H new ATOM 0 HA LEU A 11 -4.768 10.015 6.071 1.00 73.41 H new ATOM 0 HB2 LEU A 11 -7.424 9.933 6.867 1.00 25.03 H new ATOM 0 HB3 LEU A 11 -6.573 9.764 8.390 1.00 25.03 H new ATOM 0 HG LEU A 11 -7.112 12.090 7.965 1.00 35.31 H new ATOM 0 HD11 LEU A 11 -4.866 13.073 8.194 1.00 13.13 H new ATOM 0 HD12 LEU A 11 -5.049 11.606 9.184 1.00 13.13 H new ATOM 0 HD13 LEU A 11 -4.144 11.539 7.653 1.00 13.13 H new ATOM 0 HD21 LEU A 11 -6.107 13.314 6.077 1.00 61.24 H new ATOM 0 HD22 LEU A 11 -5.435 11.789 5.452 1.00 61.24 H new ATOM 0 HD23 LEU A 11 -7.198 12.022 5.521 1.00 61.24 H new ATOM 157 N CYS A 12 -3.214 9.054 7.721 1.00 62.33 N ATOM 158 CA CYS A 12 -2.254 8.490 8.662 1.00 61.21 C ATOM 159 C CYS A 12 -1.023 9.383 8.785 1.00 51.43 C ATOM 160 O CYS A 12 -0.916 10.408 8.110 1.00 4.33 O ATOM 161 CB CYS A 12 -1.837 7.086 8.218 1.00 44.53 C ATOM 162 SG CYS A 12 -0.907 7.048 6.652 1.00 42.14 S ATOM 0 H CYS A 12 -2.826 9.761 7.096 1.00 62.33 H new ATOM 0 HA CYS A 12 -2.734 8.427 9.638 1.00 61.21 H new ATOM 0 HB2 CYS A 12 -1.228 6.635 9.001 1.00 44.53 H new ATOM 0 HB3 CYS A 12 -2.730 6.469 8.113 1.00 44.53 H new ATOM 167 N THR A 13 -0.095 8.988 9.651 1.00 72.33 N ATOM 168 CA THR A 13 1.127 9.752 9.863 1.00 25.22 C ATOM 169 C THR A 13 2.362 8.881 9.661 1.00 42.22 C ATOM 170 O THR A 13 2.397 7.728 10.090 1.00 42.31 O ATOM 171 CB THR A 13 1.170 10.362 11.277 1.00 52.32 C ATOM 172 OG1 THR A 13 0.149 9.778 12.094 1.00 61.14 O ATOM 173 CG2 THR A 13 0.980 11.871 11.221 1.00 60.42 C ATOM 0 H THR A 13 -0.167 8.143 10.217 1.00 72.33 H new ATOM 0 HA THR A 13 1.128 10.556 9.127 1.00 25.22 H new ATOM 0 HB THR A 13 2.147 10.150 11.711 1.00 52.32 H new ATOM 0 HG1 THR A 13 0.184 10.170 12.992 1.00 61.14 H new ATOM 0 HG21 THR A 13 1.014 12.280 12.231 1.00 60.42 H new ATOM 0 HG22 THR A 13 1.775 12.316 10.623 1.00 60.42 H new ATOM 0 HG23 THR A 13 0.015 12.100 10.769 1.00 60.42 H new ATOM 181 N MET A 14 3.374 9.440 9.005 1.00 0.53 N ATOM 182 CA MET A 14 4.612 8.714 8.748 1.00 2.22 C ATOM 183 C MET A 14 5.159 8.099 10.033 1.00 54.32 C ATOM 184 O MET A 14 5.337 8.790 11.036 1.00 50.51 O ATOM 185 CB MET A 14 5.656 9.646 8.131 1.00 45.32 C ATOM 186 CG MET A 14 5.751 10.997 8.823 1.00 75.44 C ATOM 187 SD MET A 14 7.221 11.922 8.342 1.00 41.52 S ATOM 188 CE MET A 14 6.680 12.636 6.791 1.00 52.22 C ATOM 0 H MET A 14 3.361 10.393 8.642 1.00 0.53 H new ATOM 0 HA MET A 14 4.393 7.910 8.046 1.00 2.22 H new ATOM 0 HB2 MET A 14 6.631 9.160 8.166 1.00 45.32 H new ATOM 0 HB3 MET A 14 5.415 9.802 7.079 1.00 45.32 H new ATOM 0 HG2 MET A 14 4.864 11.585 8.588 1.00 75.44 H new ATOM 0 HG3 MET A 14 5.757 10.848 9.903 1.00 75.44 H new ATOM 0 HE1 MET A 14 7.483 13.239 6.368 1.00 52.22 H new ATOM 0 HE2 MET A 14 6.420 11.839 6.095 1.00 52.22 H new ATOM 0 HE3 MET A 14 5.807 13.265 6.965 1.00 52.22 H new ATOM 198 N ASP A 15 5.422 6.798 9.995 1.00 72.21 N ATOM 199 CA ASP A 15 5.949 6.090 11.156 1.00 13.21 C ATOM 200 C ASP A 15 6.771 4.879 10.727 1.00 3.23 C ATOM 201 O ASP A 15 6.982 4.649 9.536 1.00 72.42 O ATOM 202 CB ASP A 15 4.806 5.648 12.072 1.00 5.01 C ATOM 203 CG ASP A 15 4.997 6.115 13.502 1.00 60.12 C ATOM 204 OD1 ASP A 15 6.120 5.968 14.030 1.00 54.23 O ATOM 205 OD2 ASP A 15 4.024 6.628 14.093 1.00 70.23 O ATOM 0 H ASP A 15 5.279 6.212 9.173 1.00 72.21 H new ATOM 0 HA ASP A 15 6.600 6.773 11.703 1.00 13.21 H new ATOM 0 HB2 ASP A 15 3.864 6.039 11.688 1.00 5.01 H new ATOM 0 HB3 ASP A 15 4.730 4.561 12.055 1.00 5.01 H new ATOM 210 N LEU A 16 7.235 4.109 11.705 1.00 11.15 N ATOM 211 CA LEU A 16 8.036 2.921 11.430 1.00 50.51 C ATOM 212 C LEU A 16 8.248 2.101 12.698 1.00 3.43 C ATOM 213 O LEU A 16 9.339 1.584 12.941 1.00 52.14 O ATOM 214 CB LEU A 16 9.387 3.321 10.835 1.00 65.42 C ATOM 215 CG LEU A 16 10.135 2.226 10.072 1.00 32.24 C ATOM 216 CD1 LEU A 16 9.859 2.331 8.581 1.00 74.44 C ATOM 217 CD2 LEU A 16 11.629 2.310 10.347 1.00 22.43 C ATOM 0 H LEU A 16 7.070 4.286 12.696 1.00 11.15 H new ATOM 0 HA LEU A 16 7.496 2.307 10.710 1.00 50.51 H new ATOM 0 HB2 LEU A 16 9.230 4.163 10.161 1.00 65.42 H new ATOM 0 HB3 LEU A 16 10.027 3.675 11.643 1.00 65.42 H new ATOM 0 HG LEU A 16 9.776 1.257 10.420 1.00 32.24 H new ATOM 0 HD11 LEU A 16 10.399 1.544 8.055 1.00 74.44 H new ATOM 0 HD12 LEU A 16 8.790 2.220 8.400 1.00 74.44 H new ATOM 0 HD13 LEU A 16 10.190 3.304 8.217 1.00 74.44 H new ATOM 0 HD21 LEU A 16 12.145 1.524 9.796 1.00 22.43 H new ATOM 0 HD22 LEU A 16 12.004 3.283 10.028 1.00 22.43 H new ATOM 0 HD23 LEU A 16 11.810 2.184 11.414 1.00 22.43 H new ATOM 229 N VAL A 17 7.198 1.985 13.504 1.00 13.14 N ATOM 230 CA VAL A 17 7.268 1.225 14.747 1.00 73.03 C ATOM 231 C VAL A 17 6.530 -0.103 14.620 1.00 22.35 C ATOM 232 O VAL A 17 5.313 -0.152 14.443 1.00 12.54 O ATOM 233 CB VAL A 17 6.674 2.019 15.925 1.00 12.40 C ATOM 234 CG1 VAL A 17 6.777 1.219 17.215 1.00 51.34 C ATOM 235 CG2 VAL A 17 7.371 3.364 16.065 1.00 14.42 C ATOM 0 H VAL A 17 6.288 2.408 13.319 1.00 13.14 H new ATOM 0 HA VAL A 17 8.323 1.035 14.943 1.00 73.03 H new ATOM 0 HB VAL A 17 5.619 2.201 15.723 1.00 12.40 H new ATOM 0 HG11 VAL A 17 6.352 1.796 18.036 1.00 51.34 H new ATOM 0 HG12 VAL A 17 6.229 0.283 17.108 1.00 51.34 H new ATOM 0 HG13 VAL A 17 7.824 1.003 17.427 1.00 51.34 H new ATOM 0 HG21 VAL A 17 6.939 3.912 16.902 1.00 14.42 H new ATOM 0 HG22 VAL A 17 8.434 3.206 16.245 1.00 14.42 H new ATOM 0 HG23 VAL A 17 7.240 3.939 15.148 1.00 14.42 H new ATOM 245 N PRO A 18 7.283 -1.209 14.714 1.00 63.41 N ATOM 246 CA PRO A 18 6.722 -2.560 14.614 1.00 0.11 C ATOM 247 C PRO A 18 5.866 -2.923 15.823 1.00 54.55 C ATOM 248 O PRO A 18 6.359 -2.986 16.949 1.00 31.51 O ATOM 249 CB PRO A 18 7.962 -3.455 14.549 1.00 32.34 C ATOM 250 CG PRO A 18 9.032 -2.671 15.227 1.00 54.30 C ATOM 251 CD PRO A 18 8.741 -1.227 14.925 1.00 55.31 C ATOM 0 HA PRO A 18 6.059 -2.664 13.755 1.00 0.11 H new ATOM 0 HB2 PRO A 18 7.790 -4.407 15.052 1.00 32.34 H new ATOM 0 HB3 PRO A 18 8.232 -3.683 13.518 1.00 32.34 H new ATOM 0 HG2 PRO A 18 9.028 -2.853 16.302 1.00 54.30 H new ATOM 0 HG3 PRO A 18 10.018 -2.956 14.859 1.00 54.30 H new ATOM 0 HD2 PRO A 18 9.036 -0.577 15.749 1.00 55.31 H new ATOM 0 HD3 PRO A 18 9.279 -0.885 14.041 1.00 55.31 H new ATOM 259 N HIS A 19 4.580 -3.160 15.581 1.00 0.43 N ATOM 260 CA HIS A 19 3.655 -3.517 16.651 1.00 72.33 C ATOM 261 C HIS A 19 2.763 -4.682 16.231 1.00 50.23 C ATOM 262 O HIS A 19 2.678 -5.018 15.049 1.00 2.21 O ATOM 263 CB HIS A 19 2.794 -2.313 17.033 1.00 2.23 C ATOM 264 CG HIS A 19 2.785 -2.026 18.503 1.00 3.32 C ATOM 265 ND1 HIS A 19 2.019 -2.735 19.404 1.00 63.21 N ATOM 266 CD2 HIS A 19 3.456 -1.101 19.229 1.00 41.43 C ATOM 267 CE1 HIS A 19 2.218 -2.258 20.620 1.00 40.24 C ATOM 268 NE2 HIS A 19 3.086 -1.265 20.541 1.00 61.52 N ATOM 0 H HIS A 19 4.156 -3.111 14.655 1.00 0.43 H new ATOM 0 HA HIS A 19 4.241 -3.824 17.517 1.00 72.33 H new ATOM 0 HB2 HIS A 19 3.157 -1.433 16.502 1.00 2.23 H new ATOM 0 HB3 HIS A 19 1.771 -2.487 16.699 1.00 2.23 H new ATOM 0 HD2 HIS A 19 4.153 -0.370 18.847 1.00 41.43 H new ATOM 0 HE1 HIS A 19 1.751 -2.618 21.525 1.00 40.24 H new ATOM 0 HE2 HIS A 19 3.426 -0.711 21.327 1.00 61.52 H new ATOM 276 N CYS A 20 2.100 -5.295 17.206 1.00 40.43 N ATOM 277 CA CYS A 20 1.216 -6.422 16.938 1.00 35.24 C ATOM 278 C CYS A 20 -0.245 -5.981 16.947 1.00 74.54 C ATOM 279 O CYS A 20 -0.655 -5.168 17.775 1.00 32.22 O ATOM 280 CB CYS A 20 1.433 -7.525 17.976 1.00 12.05 C ATOM 281 SG CYS A 20 3.124 -7.589 18.651 1.00 51.24 S ATOM 0 H CYS A 20 2.159 -5.030 18.189 1.00 40.43 H new ATOM 0 HA CYS A 20 1.454 -6.811 15.948 1.00 35.24 H new ATOM 0 HB2 CYS A 20 0.731 -7.380 18.797 1.00 12.05 H new ATOM 0 HB3 CYS A 20 1.198 -8.488 17.522 1.00 12.05 H new ATOM 286 N PHE A 21 -1.027 -6.524 16.019 1.00 65.34 N ATOM 287 CA PHE A 21 -2.442 -6.187 15.918 1.00 63.11 C ATOM 288 C PHE A 21 -3.263 -7.405 15.506 1.00 70.41 C ATOM 289 O PHE A 21 -2.725 -8.385 14.987 1.00 12.50 O ATOM 290 CB PHE A 21 -2.647 -5.055 14.910 1.00 55.42 C ATOM 291 CG PHE A 21 -2.984 -5.536 13.528 1.00 71.35 C ATOM 292 CD1 PHE A 21 -1.985 -5.948 12.660 1.00 4.54 C ATOM 293 CD2 PHE A 21 -4.300 -5.579 13.096 1.00 42.55 C ATOM 294 CE1 PHE A 21 -2.292 -6.390 11.388 1.00 63.43 C ATOM 295 CE2 PHE A 21 -4.613 -6.021 11.824 1.00 51.10 C ATOM 296 CZ PHE A 21 -3.608 -6.428 10.969 1.00 24.34 C ATOM 0 H PHE A 21 -0.704 -7.199 15.326 1.00 65.34 H new ATOM 0 HA PHE A 21 -2.782 -5.857 16.899 1.00 63.11 H new ATOM 0 HB2 PHE A 21 -3.446 -4.404 15.264 1.00 55.42 H new ATOM 0 HB3 PHE A 21 -1.741 -4.451 14.865 1.00 55.42 H new ATOM 0 HD1 PHE A 21 -0.954 -5.923 12.982 1.00 4.54 H new ATOM 0 HD2 PHE A 21 -5.090 -5.263 13.761 1.00 42.55 H new ATOM 0 HE1 PHE A 21 -1.503 -6.706 10.721 1.00 63.43 H new ATOM 0 HE2 PHE A 21 -5.643 -6.048 11.499 1.00 51.10 H new ATOM 0 HZ PHE A 21 -3.850 -6.775 9.975 1.00 24.34 H new ATOM 306 N LEU A 22 -4.569 -7.338 15.741 1.00 3.12 N ATOM 307 CA LEU A 22 -5.466 -8.435 15.396 1.00 51.04 C ATOM 308 C LEU A 22 -6.150 -8.178 14.057 1.00 54.41 C ATOM 309 O LEU A 22 -6.739 -7.119 13.843 1.00 3.50 O ATOM 310 CB LEU A 22 -6.517 -8.624 16.491 1.00 72.54 C ATOM 311 CG LEU A 22 -6.611 -10.026 17.096 1.00 41.52 C ATOM 312 CD1 LEU A 22 -6.905 -11.055 16.016 1.00 40.02 C ATOM 313 CD2 LEU A 22 -5.326 -10.375 17.833 1.00 73.12 C ATOM 0 H LEU A 22 -5.030 -6.535 16.169 1.00 3.12 H new ATOM 0 HA LEU A 22 -4.872 -9.345 15.311 1.00 51.04 H new ATOM 0 HB2 LEU A 22 -6.308 -7.917 17.294 1.00 72.54 H new ATOM 0 HB3 LEU A 22 -7.492 -8.361 16.081 1.00 72.54 H new ATOM 0 HG LEU A 22 -7.432 -10.038 17.813 1.00 41.52 H new ATOM 0 HD11 LEU A 22 -6.968 -12.046 16.465 1.00 40.02 H new ATOM 0 HD12 LEU A 22 -7.852 -10.815 15.533 1.00 40.02 H new ATOM 0 HD13 LEU A 22 -6.106 -11.043 15.275 1.00 40.02 H new ATOM 0 HD21 LEU A 22 -5.410 -11.376 18.257 1.00 73.12 H new ATOM 0 HD22 LEU A 22 -4.488 -10.345 17.137 1.00 73.12 H new ATOM 0 HD23 LEU A 22 -5.159 -9.654 18.634 1.00 73.12 H new ATOM 325 N ASN A 23 -6.071 -9.155 13.160 1.00 44.13 N ATOM 326 CA ASN A 23 -6.684 -9.035 11.842 1.00 0.30 C ATOM 327 C ASN A 23 -7.803 -10.057 11.668 1.00 51.14 C ATOM 328 O ASN A 23 -7.580 -11.268 11.684 1.00 41.55 O ATOM 329 CB ASN A 23 -5.631 -9.223 10.748 1.00 54.54 C ATOM 330 CG ASN A 23 -6.044 -8.587 9.434 1.00 62.43 C ATOM 331 OD1 ASN A 23 -7.222 -8.313 9.207 1.00 13.31 O ATOM 332 ND2 ASN A 23 -5.072 -8.351 8.560 1.00 21.41 N ATOM 0 H ASN A 23 -5.588 -10.039 13.322 1.00 44.13 H new ATOM 0 HA ASN A 23 -7.112 -8.036 11.757 1.00 0.30 H new ATOM 0 HB2 ASN A 23 -4.687 -8.790 11.078 1.00 54.54 H new ATOM 0 HB3 ASN A 23 -5.456 -10.288 10.594 1.00 54.54 H new ATOM 0 HD21 ASN A 23 -5.289 -7.926 7.658 1.00 21.41 H new ATOM 0 HD22 ASN A 23 -4.109 -8.595 8.790 1.00 21.41 H new ATOM 339 N PRO A 24 -9.037 -9.560 11.496 1.00 10.34 N ATOM 340 CA PRO A 24 -10.216 -10.412 11.314 1.00 23.24 C ATOM 341 C PRO A 24 -10.211 -11.128 9.968 1.00 51.10 C ATOM 342 O PRO A 24 -10.805 -12.195 9.821 1.00 71.41 O ATOM 343 CB PRO A 24 -11.383 -9.425 11.391 1.00 2.32 C ATOM 344 CG PRO A 24 -10.800 -8.116 10.981 1.00 22.54 C ATOM 345 CD PRO A 24 -9.377 -8.127 11.467 1.00 64.23 C ATOM 0 HA PRO A 24 -10.263 -11.207 12.058 1.00 23.24 H new ATOM 0 HB2 PRO A 24 -12.196 -9.721 10.728 1.00 2.32 H new ATOM 0 HB3 PRO A 24 -11.795 -9.377 12.399 1.00 2.32 H new ATOM 0 HG2 PRO A 24 -10.842 -7.992 9.899 1.00 22.54 H new ATOM 0 HG3 PRO A 24 -11.356 -7.287 11.419 1.00 22.54 H new ATOM 0 HD2 PRO A 24 -8.720 -7.572 10.798 1.00 64.23 H new ATOM 0 HD3 PRO A 24 -9.286 -7.672 12.453 1.00 64.23 H new ATOM 353 N GLU A 25 -9.537 -10.533 8.989 1.00 41.12 N ATOM 354 CA GLU A 25 -9.456 -11.115 7.654 1.00 33.13 C ATOM 355 C GLU A 25 -8.516 -12.317 7.641 1.00 73.10 C ATOM 356 O GLU A 25 -8.595 -13.172 6.758 1.00 4.32 O ATOM 357 CB GLU A 25 -8.979 -10.069 6.645 1.00 5.23 C ATOM 358 CG GLU A 25 -10.003 -9.748 5.570 1.00 40.10 C ATOM 359 CD GLU A 25 -9.733 -8.423 4.884 1.00 13.42 C ATOM 360 OE1 GLU A 25 -9.269 -7.485 5.566 1.00 64.15 O ATOM 361 OE2 GLU A 25 -9.987 -8.324 3.665 1.00 0.33 O ATOM 0 H GLU A 25 -9.039 -9.649 9.095 1.00 41.12 H new ATOM 0 HA GLU A 25 -10.453 -11.452 7.372 1.00 33.13 H new ATOM 0 HB2 GLU A 25 -8.725 -9.153 7.178 1.00 5.23 H new ATOM 0 HB3 GLU A 25 -8.065 -10.426 6.169 1.00 5.23 H new ATOM 0 HG2 GLU A 25 -10.005 -10.544 4.826 1.00 40.10 H new ATOM 0 HG3 GLU A 25 -10.997 -9.726 6.016 1.00 40.10 H new ATOM 368 N LYS A 26 -7.627 -12.376 8.626 1.00 5.31 N ATOM 369 CA LYS A 26 -6.671 -13.472 8.730 1.00 3.22 C ATOM 370 C LYS A 26 -6.386 -13.808 10.190 1.00 22.54 C ATOM 371 O LYS A 26 -6.877 -14.807 10.714 1.00 21.34 O ATOM 372 CB LYS A 26 -5.367 -13.109 8.016 1.00 40.52 C ATOM 373 CG LYS A 26 -5.128 -11.612 7.910 1.00 22.32 C ATOM 374 CD LYS A 26 -3.646 -11.289 7.822 1.00 23.41 C ATOM 375 CE LYS A 26 -3.022 -11.872 6.563 1.00 11.10 C ATOM 376 NZ LYS A 26 -1.566 -11.574 6.476 1.00 2.42 N ATOM 0 H LYS A 26 -7.548 -11.677 9.365 1.00 5.31 H new ATOM 0 HA LYS A 26 -7.108 -14.348 8.252 1.00 3.22 H new ATOM 0 HB2 LYS A 26 -4.532 -13.565 8.548 1.00 40.52 H new ATOM 0 HB3 LYS A 26 -5.379 -13.538 7.014 1.00 40.52 H new ATOM 0 HG2 LYS A 26 -5.639 -11.222 7.030 1.00 22.32 H new ATOM 0 HG3 LYS A 26 -5.560 -11.111 8.777 1.00 22.32 H new ATOM 0 HD2 LYS A 26 -3.507 -10.208 7.831 1.00 23.41 H new ATOM 0 HD3 LYS A 26 -3.134 -11.684 8.700 1.00 23.41 H new ATOM 0 HE2 LYS A 26 -3.173 -12.951 6.549 1.00 11.10 H new ATOM 0 HE3 LYS A 26 -3.528 -11.468 5.686 1.00 11.10 H new ATOM 0 HZ1 LYS A 26 -1.178 -11.988 5.604 1.00 2.42 H new ATOM 0 HZ2 LYS A 26 -1.423 -10.544 6.463 1.00 2.42 H new ATOM 0 HZ3 LYS A 26 -1.078 -11.981 7.299 1.00 2.42 H new ATOM 390 N GLY A 27 -5.590 -12.967 10.843 1.00 41.41 N ATOM 391 CA GLY A 27 -5.255 -13.192 12.237 1.00 70.01 C ATOM 392 C GLY A 27 -4.224 -12.207 12.752 1.00 20.50 C ATOM 393 O GLY A 27 -3.996 -11.162 12.143 1.00 53.20 O ATOM 0 H GLY A 27 -5.171 -12.133 10.431 1.00 41.41 H new ATOM 0 HA2 GLY A 27 -6.159 -13.116 12.841 1.00 70.01 H new ATOM 0 HA3 GLY A 27 -4.875 -14.207 12.357 1.00 70.01 H new ATOM 397 N ILE A 28 -3.600 -12.541 13.877 1.00 15.30 N ATOM 398 CA ILE A 28 -2.589 -11.677 14.474 1.00 62.44 C ATOM 399 C ILE A 28 -1.425 -11.450 13.515 1.00 52.04 C ATOM 400 O ILE A 28 -0.969 -12.376 12.844 1.00 31.21 O ATOM 401 CB ILE A 28 -2.048 -12.270 15.788 1.00 3.53 C ATOM 402 CG1 ILE A 28 -0.948 -11.373 16.362 1.00 32.52 C ATOM 403 CG2 ILE A 28 -1.523 -13.679 15.558 1.00 35.11 C ATOM 404 CD1 ILE A 28 0.447 -11.795 15.958 1.00 22.45 C ATOM 0 H ILE A 28 -3.777 -13.403 14.393 1.00 15.30 H new ATOM 0 HA ILE A 28 -3.073 -10.724 14.687 1.00 62.44 H new ATOM 0 HB ILE A 28 -2.864 -12.321 16.509 1.00 3.53 H new ATOM 0 HG12 ILE A 28 -1.118 -10.348 16.034 1.00 32.52 H new ATOM 0 HG13 ILE A 28 -1.019 -11.375 17.450 1.00 32.52 H new ATOM 0 HG21 ILE A 28 -1.144 -14.084 16.496 1.00 35.11 H new ATOM 0 HG22 ILE A 28 -2.330 -14.312 15.189 1.00 35.11 H new ATOM 0 HG23 ILE A 28 -0.718 -13.652 14.823 1.00 35.11 H new ATOM 0 HD11 ILE A 28 1.175 -11.115 16.400 1.00 22.45 H new ATOM 0 HD12 ILE A 28 0.637 -12.809 16.310 1.00 22.45 H new ATOM 0 HD13 ILE A 28 0.536 -11.765 14.872 1.00 22.45 H new ATOM 416 N VAL A 29 -0.947 -10.211 13.456 1.00 55.13 N ATOM 417 CA VAL A 29 0.166 -9.862 12.581 1.00 15.51 C ATOM 418 C VAL A 29 0.977 -8.707 13.158 1.00 14.14 C ATOM 419 O VAL A 29 0.428 -7.800 13.785 1.00 74.33 O ATOM 420 CB VAL A 29 -0.326 -9.475 11.174 1.00 75.45 C ATOM 421 CG1 VAL A 29 0.843 -9.061 10.294 1.00 1.50 C ATOM 422 CG2 VAL A 29 -1.095 -10.627 10.544 1.00 74.11 C ATOM 0 H VAL A 29 -1.313 -9.432 14.004 1.00 55.13 H new ATOM 0 HA VAL A 29 0.799 -10.746 12.506 1.00 15.51 H new ATOM 0 HB VAL A 29 -1.000 -8.623 11.265 1.00 75.45 H new ATOM 0 HG11 VAL A 29 0.475 -8.791 9.304 1.00 1.50 H new ATOM 0 HG12 VAL A 29 1.348 -8.204 10.740 1.00 1.50 H new ATOM 0 HG13 VAL A 29 1.545 -9.891 10.207 1.00 1.50 H new ATOM 0 HG21 VAL A 29 -1.436 -10.337 9.550 1.00 74.11 H new ATOM 0 HG22 VAL A 29 -0.445 -11.498 10.465 1.00 74.11 H new ATOM 0 HG23 VAL A 29 -1.956 -10.872 11.165 1.00 74.11 H new ATOM 432 N VAL A 30 2.288 -8.746 12.943 1.00 32.11 N ATOM 433 CA VAL A 30 3.176 -7.702 13.441 1.00 72.24 C ATOM 434 C VAL A 30 3.873 -6.981 12.293 1.00 52.43 C ATOM 435 O VAL A 30 4.507 -7.608 11.445 1.00 64.14 O ATOM 436 CB VAL A 30 4.241 -8.278 14.393 1.00 52.13 C ATOM 437 CG1 VAL A 30 3.583 -8.926 15.601 1.00 34.30 C ATOM 438 CG2 VAL A 30 5.127 -9.273 13.660 1.00 65.50 C ATOM 0 H VAL A 30 2.759 -9.489 12.427 1.00 32.11 H new ATOM 0 HA VAL A 30 2.555 -6.993 13.989 1.00 72.24 H new ATOM 0 HB VAL A 30 4.868 -7.460 14.747 1.00 52.13 H new ATOM 0 HG11 VAL A 30 4.351 -9.327 16.262 1.00 34.30 H new ATOM 0 HG12 VAL A 30 2.995 -8.182 16.138 1.00 34.30 H new ATOM 0 HG13 VAL A 30 2.931 -9.734 15.270 1.00 34.30 H new ATOM 0 HG21 VAL A 30 5.874 -9.670 14.347 1.00 65.50 H new ATOM 0 HG22 VAL A 30 4.516 -10.090 13.276 1.00 65.50 H new ATOM 0 HG23 VAL A 30 5.627 -8.773 12.831 1.00 65.50 H new ATOM 448 N VAL A 31 3.751 -5.657 12.272 1.00 71.00 N ATOM 449 CA VAL A 31 4.371 -4.848 11.229 1.00 74.51 C ATOM 450 C VAL A 31 4.714 -3.455 11.744 1.00 35.34 C ATOM 451 O VAL A 31 4.110 -2.970 12.702 1.00 42.10 O ATOM 452 CB VAL A 31 3.452 -4.717 10.000 1.00 75.31 C ATOM 453 CG1 VAL A 31 3.179 -6.083 9.389 1.00 73.32 C ATOM 454 CG2 VAL A 31 2.151 -4.024 10.379 1.00 24.40 C ATOM 0 H VAL A 31 3.228 -5.122 12.966 1.00 71.00 H new ATOM 0 HA VAL A 31 5.288 -5.359 10.935 1.00 74.51 H new ATOM 0 HB VAL A 31 3.959 -4.106 9.253 1.00 75.31 H new ATOM 0 HG11 VAL A 31 2.528 -5.970 8.522 1.00 73.32 H new ATOM 0 HG12 VAL A 31 4.120 -6.538 9.080 1.00 73.32 H new ATOM 0 HG13 VAL A 31 2.693 -6.721 10.127 1.00 73.32 H new ATOM 0 HG21 VAL A 31 1.514 -3.940 9.499 1.00 24.40 H new ATOM 0 HG22 VAL A 31 1.638 -4.607 11.144 1.00 24.40 H new ATOM 0 HG23 VAL A 31 2.368 -3.028 10.766 1.00 24.40 H new ATOM 464 N HIS A 32 5.686 -2.816 11.103 1.00 43.32 N ATOM 465 CA HIS A 32 6.109 -1.476 11.496 1.00 64.32 C ATOM 466 C HIS A 32 5.591 -0.432 10.512 1.00 71.14 C ATOM 467 O HIS A 32 5.409 -0.716 9.329 1.00 73.14 O ATOM 468 CB HIS A 32 7.634 -1.404 11.578 1.00 45.14 C ATOM 469 CG HIS A 32 8.324 -1.865 10.331 1.00 72.14 C ATOM 470 ND1 HIS A 32 9.151 -2.968 10.292 1.00 53.03 N ATOM 471 CD2 HIS A 32 8.304 -1.367 9.072 1.00 2.02 C ATOM 472 CE1 HIS A 32 9.611 -3.127 9.064 1.00 62.22 C ATOM 473 NE2 HIS A 32 9.112 -2.169 8.304 1.00 2.21 N ATOM 0 H HIS A 32 6.196 -3.204 10.309 1.00 43.32 H new ATOM 0 HA HIS A 32 5.689 -1.263 12.479 1.00 64.32 H new ATOM 0 HB2 HIS A 32 7.930 -0.376 11.788 1.00 45.14 H new ATOM 0 HB3 HIS A 32 7.973 -2.012 12.417 1.00 45.14 H new ATOM 0 HD1 HIS A 32 9.373 -3.567 11.087 1.00 53.03 H new ATOM 0 HD2 HIS A 32 7.755 -0.500 8.735 1.00 2.02 H new ATOM 0 HE1 HIS A 32 10.281 -3.908 8.737 1.00 62.22 H new ATOM 481 N GLY A 33 5.354 0.778 11.010 1.00 61.22 N ATOM 482 CA GLY A 33 4.858 1.845 10.161 1.00 11.41 C ATOM 483 C GLY A 33 3.683 2.578 10.778 1.00 32.30 C ATOM 484 O GLY A 33 3.166 2.172 11.818 1.00 4.14 O ATOM 0 H GLY A 33 5.497 1.038 11.986 1.00 61.22 H new ATOM 0 HA2 GLY A 33 5.663 2.554 9.966 1.00 11.41 H new ATOM 0 HA3 GLY A 33 4.559 1.430 9.199 1.00 11.41 H new ATOM 488 N GLY A 34 3.260 3.662 10.135 1.00 13.25 N ATOM 489 CA GLY A 34 2.142 4.437 10.643 1.00 24.33 C ATOM 490 C GLY A 34 0.826 4.046 10.001 1.00 63.31 C ATOM 491 O GLY A 34 -0.095 3.593 10.681 1.00 22.41 O ATOM 0 H GLY A 34 3.671 4.018 9.272 1.00 13.25 H new ATOM 0 HA2 GLY A 34 2.071 4.301 11.722 1.00 24.33 H new ATOM 0 HA3 GLY A 34 2.328 5.496 10.466 1.00 24.33 H new ATOM 495 N CYS A 35 0.736 4.222 8.687 1.00 14.10 N ATOM 496 CA CYS A 35 -0.478 3.887 7.952 1.00 61.21 C ATOM 497 C CYS A 35 -0.934 2.466 8.273 1.00 3.44 C ATOM 498 O CYS A 35 -2.127 2.168 8.256 1.00 73.42 O ATOM 499 CB CYS A 35 -0.244 4.031 6.447 1.00 63.41 C ATOM 500 SG CYS A 35 -1.218 5.357 5.666 1.00 2.43 S ATOM 0 H CYS A 35 1.489 4.595 8.109 1.00 14.10 H new ATOM 0 HA CYS A 35 -1.262 4.580 8.259 1.00 61.21 H new ATOM 0 HB2 CYS A 35 0.815 4.221 6.271 1.00 63.41 H new ATOM 0 HB3 CYS A 35 -0.483 3.085 5.961 1.00 63.41 H new ATOM 505 N ALA A 36 0.026 1.595 8.567 1.00 0.20 N ATOM 506 CA ALA A 36 -0.276 0.207 8.895 1.00 51.43 C ATOM 507 C ALA A 36 -0.893 0.093 10.285 1.00 43.32 C ATOM 508 O ALA A 36 -1.905 -0.583 10.473 1.00 63.33 O ATOM 509 CB ALA A 36 0.982 -0.643 8.802 1.00 42.21 C ATOM 0 H ALA A 36 1.019 1.826 8.585 1.00 0.20 H new ATOM 0 HA ALA A 36 -1.004 -0.161 8.172 1.00 51.43 H new ATOM 0 HB1 ALA A 36 0.742 -1.677 9.050 1.00 42.21 H new ATOM 0 HB2 ALA A 36 1.379 -0.595 7.788 1.00 42.21 H new ATOM 0 HB3 ALA A 36 1.728 -0.266 9.502 1.00 42.21 H new ATOM 515 N LEU A 37 -0.277 0.758 11.256 1.00 22.23 N ATOM 516 CA LEU A 37 -0.765 0.730 12.631 1.00 50.43 C ATOM 517 C LEU A 37 -2.111 1.439 12.745 1.00 71.34 C ATOM 518 O LEU A 37 -3.059 0.903 13.318 1.00 32.14 O ATOM 519 CB LEU A 37 0.251 1.388 13.567 1.00 72.42 C ATOM 520 CG LEU A 37 0.024 1.168 15.063 1.00 4.41 C ATOM 521 CD1 LEU A 37 0.357 -0.265 15.449 1.00 50.50 C ATOM 522 CD2 LEU A 37 0.856 2.149 15.877 1.00 20.34 C ATOM 0 H LEU A 37 0.561 1.323 11.117 1.00 22.23 H new ATOM 0 HA LEU A 37 -0.897 -0.312 12.923 1.00 50.43 H new ATOM 0 HB2 LEU A 37 1.244 1.017 13.312 1.00 72.42 H new ATOM 0 HB3 LEU A 37 0.252 2.461 13.374 1.00 72.42 H new ATOM 0 HG LEU A 37 -1.029 1.345 15.282 1.00 4.41 H new ATOM 0 HD11 LEU A 37 0.189 -0.402 16.517 1.00 50.50 H new ATOM 0 HD12 LEU A 37 -0.281 -0.950 14.890 1.00 50.50 H new ATOM 0 HD13 LEU A 37 1.402 -0.471 15.216 1.00 50.50 H new ATOM 0 HD21 LEU A 37 0.683 1.979 16.940 1.00 20.34 H new ATOM 0 HD22 LEU A 37 1.913 2.003 15.654 1.00 20.34 H new ATOM 0 HD23 LEU A 37 0.569 3.169 15.621 1.00 20.34 H new ATOM 534 N SER A 38 -2.188 2.645 12.192 1.00 3.43 N ATOM 535 CA SER A 38 -3.417 3.428 12.233 1.00 13.12 C ATOM 536 C SER A 38 -4.601 2.607 11.730 1.00 42.21 C ATOM 537 O SER A 38 -5.643 2.535 12.381 1.00 73.21 O ATOM 538 CB SER A 38 -3.267 4.697 11.392 1.00 74.14 C ATOM 539 OG SER A 38 -2.947 5.813 12.204 1.00 22.21 O ATOM 0 H SER A 38 -1.413 3.101 11.710 1.00 3.43 H new ATOM 0 HA SER A 38 -3.606 3.708 13.269 1.00 13.12 H new ATOM 0 HB2 SER A 38 -2.487 4.552 10.645 1.00 74.14 H new ATOM 0 HB3 SER A 38 -4.194 4.890 10.852 1.00 74.14 H new ATOM 0 HG SER A 38 -2.855 6.611 11.642 1.00 22.21 H new ATOM 545 N LYS A 39 -4.432 1.990 10.566 1.00 62.43 N ATOM 546 CA LYS A 39 -5.484 1.172 9.973 1.00 44.10 C ATOM 547 C LYS A 39 -5.997 0.139 10.971 1.00 62.44 C ATOM 548 O LYS A 39 -7.204 -0.067 11.100 1.00 22.32 O ATOM 549 CB LYS A 39 -4.965 0.470 8.716 1.00 22.42 C ATOM 550 CG LYS A 39 -5.574 0.997 7.429 1.00 14.20 C ATOM 551 CD LYS A 39 -5.562 -0.056 6.334 1.00 40.34 C ATOM 552 CE LYS A 39 -4.328 0.071 5.453 1.00 32.51 C ATOM 553 NZ LYS A 39 -4.021 -1.202 4.743 1.00 51.23 N ATOM 0 H LYS A 39 -3.576 2.041 10.014 1.00 62.43 H new ATOM 0 HA LYS A 39 -6.310 1.828 9.700 1.00 44.10 H new ATOM 0 HB2 LYS A 39 -3.882 0.583 8.668 1.00 22.42 H new ATOM 0 HB3 LYS A 39 -5.171 -0.597 8.795 1.00 22.42 H new ATOM 0 HG2 LYS A 39 -6.599 1.318 7.615 1.00 14.20 H new ATOM 0 HG3 LYS A 39 -5.021 1.875 7.097 1.00 14.20 H new ATOM 0 HD2 LYS A 39 -5.590 -1.049 6.782 1.00 40.34 H new ATOM 0 HD3 LYS A 39 -6.459 0.043 5.723 1.00 40.34 H new ATOM 0 HE2 LYS A 39 -4.483 0.866 4.723 1.00 32.51 H new ATOM 0 HE3 LYS A 39 -3.473 0.361 6.064 1.00 32.51 H new ATOM 0 HZ1 LYS A 39 -3.174 -1.075 4.153 1.00 51.23 H new ATOM 0 HZ2 LYS A 39 -3.848 -1.955 5.439 1.00 51.23 H new ATOM 0 HZ3 LYS A 39 -4.826 -1.466 4.140 1.00 51.23 H new ATOM 567 N TYR A 40 -5.073 -0.507 11.674 1.00 34.10 N ATOM 568 CA TYR A 40 -5.433 -1.520 12.660 1.00 41.25 C ATOM 569 C TYR A 40 -6.274 -0.916 13.780 1.00 52.54 C ATOM 570 O TYR A 40 -7.085 -1.601 14.403 1.00 22.21 O ATOM 571 CB TYR A 40 -4.174 -2.164 13.243 1.00 41.43 C ATOM 572 CG TYR A 40 -3.199 -2.648 12.193 1.00 55.22 C ATOM 573 CD1 TYR A 40 -3.645 -3.077 10.949 1.00 64.23 C ATOM 574 CD2 TYR A 40 -1.833 -2.675 12.445 1.00 53.02 C ATOM 575 CE1 TYR A 40 -2.758 -3.521 9.987 1.00 61.11 C ATOM 576 CE2 TYR A 40 -0.939 -3.116 11.488 1.00 11.15 C ATOM 577 CZ TYR A 40 -1.406 -3.538 10.261 1.00 33.44 C ATOM 578 OH TYR A 40 -0.520 -3.978 9.306 1.00 63.55 O ATOM 0 H TYR A 40 -4.070 -0.348 11.580 1.00 34.10 H new ATOM 0 HA TYR A 40 -6.025 -2.285 12.158 1.00 41.25 H new ATOM 0 HB2 TYR A 40 -3.672 -1.442 13.887 1.00 41.43 H new ATOM 0 HB3 TYR A 40 -4.465 -3.005 13.872 1.00 41.43 H new ATOM 0 HD1 TYR A 40 -4.703 -3.063 10.730 1.00 64.23 H new ATOM 0 HD2 TYR A 40 -1.464 -2.346 13.405 1.00 53.02 H new ATOM 0 HE1 TYR A 40 -3.121 -3.853 9.026 1.00 61.11 H new ATOM 0 HE2 TYR A 40 0.120 -3.130 11.700 1.00 11.15 H new ATOM 0 HH TYR A 40 -0.879 -3.788 8.414 1.00 63.55 H new ATOM 588 N LYS A 41 -6.076 0.374 14.030 1.00 42.35 N ATOM 589 CA LYS A 41 -6.816 1.075 15.072 1.00 21.34 C ATOM 590 C LYS A 41 -8.194 1.496 14.572 1.00 1.22 C ATOM 591 O LYS A 41 -9.123 1.676 15.360 1.00 52.42 O ATOM 592 CB LYS A 41 -6.035 2.304 15.543 1.00 23.52 C ATOM 593 CG LYS A 41 -5.990 2.454 17.054 1.00 53.00 C ATOM 594 CD LYS A 41 -5.318 3.753 17.465 1.00 24.14 C ATOM 595 CE LYS A 41 -5.577 4.076 18.929 1.00 71.30 C ATOM 596 NZ LYS A 41 -6.695 5.046 19.093 1.00 22.13 N ATOM 0 H LYS A 41 -5.408 0.956 13.524 1.00 42.35 H new ATOM 0 HA LYS A 41 -6.947 0.392 15.911 1.00 21.34 H new ATOM 0 HB2 LYS A 41 -5.016 2.244 15.162 1.00 23.52 H new ATOM 0 HB3 LYS A 41 -6.485 3.198 15.111 1.00 23.52 H new ATOM 0 HG2 LYS A 41 -7.004 2.425 17.454 1.00 53.00 H new ATOM 0 HG3 LYS A 41 -5.452 1.611 17.488 1.00 53.00 H new ATOM 0 HD2 LYS A 41 -4.244 3.679 17.292 1.00 24.14 H new ATOM 0 HD3 LYS A 41 -5.686 4.567 16.841 1.00 24.14 H new ATOM 0 HE2 LYS A 41 -5.811 3.158 19.468 1.00 71.30 H new ATOM 0 HE3 LYS A 41 -4.672 4.486 19.376 1.00 71.30 H new ATOM 0 HZ1 LYS A 41 -6.840 5.240 20.104 1.00 22.13 H new ATOM 0 HZ2 LYS A 41 -6.461 5.932 18.600 1.00 22.13 H new ATOM 0 HZ3 LYS A 41 -7.565 4.644 18.689 1.00 22.13 H new ATOM 610 N CYS A 42 -8.320 1.650 13.258 1.00 3.54 N ATOM 611 CA CYS A 42 -9.584 2.050 12.652 1.00 31.54 C ATOM 612 C CYS A 42 -10.515 0.851 12.497 1.00 32.50 C ATOM 613 O CYS A 42 -11.692 0.917 12.851 1.00 20.21 O ATOM 614 CB CYS A 42 -9.338 2.698 11.289 1.00 40.13 C ATOM 615 SG CYS A 42 -10.560 2.242 10.017 1.00 11.10 S ATOM 0 H CYS A 42 -7.561 1.504 12.592 1.00 3.54 H new ATOM 0 HA CYS A 42 -10.061 2.776 13.311 1.00 31.54 H new ATOM 0 HB2 CYS A 42 -9.341 3.781 11.408 1.00 40.13 H new ATOM 0 HB3 CYS A 42 -8.344 2.418 10.940 1.00 40.13 H new ATOM 620 N GLN A 43 -9.979 -0.243 11.966 1.00 62.33 N ATOM 621 CA GLN A 43 -10.762 -1.457 11.763 1.00 3.43 C ATOM 622 C GLN A 43 -11.355 -1.948 13.080 1.00 43.32 C ATOM 623 O GLN A 43 -12.515 -2.352 13.136 1.00 12.02 O ATOM 624 CB GLN A 43 -9.893 -2.551 11.142 1.00 72.55 C ATOM 625 CG GLN A 43 -8.505 -2.647 11.753 1.00 22.41 C ATOM 626 CD GLN A 43 -8.155 -4.056 12.189 1.00 33.54 C ATOM 627 OE1 GLN A 43 -7.758 -4.284 13.332 1.00 25.23 O ATOM 628 NE2 GLN A 43 -8.302 -5.012 11.279 1.00 34.02 N ATOM 0 H GLN A 43 -9.006 -0.314 11.668 1.00 62.33 H new ATOM 0 HA GLN A 43 -11.580 -1.223 11.082 1.00 3.43 H new ATOM 0 HB2 GLN A 43 -10.397 -3.511 11.254 1.00 72.55 H new ATOM 0 HB3 GLN A 43 -9.798 -2.364 10.072 1.00 72.55 H new ATOM 0 HG2 GLN A 43 -7.768 -2.302 11.028 1.00 22.41 H new ATOM 0 HG3 GLN A 43 -8.444 -1.979 12.612 1.00 22.41 H new ATOM 0 HE21 GLN A 43 -8.634 -4.779 10.343 1.00 34.02 H new ATOM 0 HE22 GLN A 43 -8.083 -5.980 11.516 1.00 34.02 H new ATOM 637 N ASN A 44 -10.549 -1.910 14.136 1.00 15.15 N ATOM 638 CA ASN A 44 -10.995 -2.352 15.453 1.00 63.31 C ATOM 639 C ASN A 44 -10.335 -1.529 16.555 1.00 21.42 C ATOM 640 O ASN A 44 -9.362 -1.951 17.181 1.00 41.10 O ATOM 641 CB ASN A 44 -10.678 -3.836 15.649 1.00 24.15 C ATOM 642 CG ASN A 44 -11.465 -4.725 14.707 1.00 73.51 C ATOM 643 OD1 ASN A 44 -12.692 -4.645 14.640 1.00 61.41 O ATOM 644 ND2 ASN A 44 -10.761 -5.580 13.973 1.00 15.40 N ATOM 0 H ASN A 44 -9.585 -1.578 14.106 1.00 15.15 H new ATOM 0 HA ASN A 44 -12.074 -2.207 15.513 1.00 63.31 H new ATOM 0 HB2 ASN A 44 -9.612 -4.000 15.493 1.00 24.15 H new ATOM 0 HB3 ASN A 44 -10.897 -4.118 16.679 1.00 24.15 H new ATOM 0 HD21 ASN A 44 -11.236 -6.204 13.321 1.00 15.40 H new ATOM 0 HD22 ASN A 44 -9.745 -5.612 14.061 1.00 15.40 H new ATOM 651 N PRO A 45 -10.876 -0.327 16.800 1.00 0.22 N ATOM 652 CA PRO A 45 -10.357 0.580 17.828 1.00 2.22 C ATOM 653 C PRO A 45 -10.618 0.066 19.240 1.00 43.40 C ATOM 654 O PRO A 45 -10.133 0.635 20.217 1.00 45.20 O ATOM 655 CB PRO A 45 -11.130 1.878 17.580 1.00 73.41 C ATOM 656 CG PRO A 45 -12.393 1.445 16.919 1.00 52.04 C ATOM 657 CD PRO A 45 -12.037 0.240 16.093 1.00 64.10 C ATOM 0 HA PRO A 45 -9.275 0.693 17.762 1.00 2.22 H new ATOM 0 HB2 PRO A 45 -11.331 2.404 18.513 1.00 73.41 H new ATOM 0 HB3 PRO A 45 -10.565 2.561 16.945 1.00 73.41 H new ATOM 0 HG2 PRO A 45 -13.156 1.200 17.658 1.00 52.04 H new ATOM 0 HG3 PRO A 45 -12.799 2.240 16.294 1.00 52.04 H new ATOM 0 HD2 PRO A 45 -12.862 -0.470 16.042 1.00 64.10 H new ATOM 0 HD3 PRO A 45 -11.788 0.515 15.068 1.00 64.10 H new ATOM 665 N ASN A 46 -11.387 -1.013 19.339 1.00 22.02 N ATOM 666 CA ASN A 46 -11.712 -1.603 20.633 1.00 60.55 C ATOM 667 C ASN A 46 -10.962 -2.917 20.835 1.00 53.31 C ATOM 668 O ASN A 46 -11.361 -3.753 21.646 1.00 3.14 O ATOM 669 CB ASN A 46 -13.219 -1.841 20.743 1.00 33.43 C ATOM 670 CG ASN A 46 -13.747 -2.734 19.637 1.00 64.14 C ATOM 671 OD1 ASN A 46 -13.852 -2.316 18.484 1.00 42.25 O ATOM 672 ND2 ASN A 46 -14.081 -3.971 19.984 1.00 73.44 N ATOM 0 H ASN A 46 -11.797 -1.497 18.540 1.00 22.02 H new ATOM 0 HA ASN A 46 -11.403 -0.905 21.411 1.00 60.55 H new ATOM 0 HB2 ASN A 46 -13.443 -2.293 21.709 1.00 33.43 H new ATOM 0 HB3 ASN A 46 -13.738 -0.883 20.712 1.00 33.43 H new ATOM 0 HD21 ASN A 46 -14.441 -4.618 19.282 1.00 73.44 H new ATOM 0 HD22 ASN A 46 -13.977 -4.275 20.952 1.00 73.44 H new ATOM 679 N HIS A 47 -9.874 -3.091 20.092 1.00 61.11 N ATOM 680 CA HIS A 47 -9.067 -4.302 20.190 1.00 30.24 C ATOM 681 C HIS A 47 -7.922 -4.113 21.181 1.00 34.34 C ATOM 682 O HIS A 47 -7.620 -2.992 21.587 1.00 10.23 O ATOM 683 CB HIS A 47 -8.511 -4.683 18.818 1.00 71.01 C ATOM 684 CG HIS A 47 -7.328 -3.864 18.403 1.00 61.14 C ATOM 685 ND1 HIS A 47 -6.323 -4.350 17.593 1.00 20.11 N ATOM 686 CD2 HIS A 47 -6.993 -2.584 18.688 1.00 31.02 C ATOM 687 CE1 HIS A 47 -5.420 -3.405 17.400 1.00 33.01 C ATOM 688 NE2 HIS A 47 -5.804 -2.323 18.054 1.00 64.04 N ATOM 0 H HIS A 47 -9.531 -2.409 19.416 1.00 61.11 H new ATOM 0 HA HIS A 47 -9.707 -5.107 20.550 1.00 30.24 H new ATOM 0 HB2 HIS A 47 -8.228 -5.736 18.829 1.00 71.01 H new ATOM 0 HB3 HIS A 47 -9.299 -4.573 18.073 1.00 71.01 H new ATOM 0 HD2 HIS A 47 -7.557 -1.896 19.301 1.00 31.02 H new ATOM 0 HE1 HIS A 47 -4.521 -3.501 16.809 1.00 33.01 H new ATOM 0 HE2 HIS A 47 -5.299 -1.437 18.083 1.00 64.04 H new ATOM 696 N GLU A 48 -7.291 -5.218 21.567 1.00 50.04 N ATOM 697 CA GLU A 48 -6.181 -5.173 22.511 1.00 12.33 C ATOM 698 C GLU A 48 -4.853 -5.424 21.803 1.00 51.21 C ATOM 699 O GLU A 48 -4.499 -6.566 21.510 1.00 44.23 O ATOM 700 CB GLU A 48 -6.384 -6.207 23.620 1.00 22.32 C ATOM 701 CG GLU A 48 -5.665 -5.862 24.914 1.00 51.14 C ATOM 702 CD GLU A 48 -4.380 -6.646 25.094 1.00 3.11 C ATOM 703 OE1 GLU A 48 -3.825 -7.117 24.079 1.00 75.11 O ATOM 704 OE2 GLU A 48 -3.928 -6.789 26.250 1.00 53.55 O ATOM 0 H GLU A 48 -7.530 -6.154 21.241 1.00 50.04 H new ATOM 0 HA GLU A 48 -6.154 -4.177 22.953 1.00 12.33 H new ATOM 0 HB2 GLU A 48 -7.451 -6.306 23.822 1.00 22.32 H new ATOM 0 HB3 GLU A 48 -6.035 -7.178 23.268 1.00 22.32 H new ATOM 0 HG2 GLU A 48 -5.440 -4.795 24.927 1.00 51.14 H new ATOM 0 HG3 GLU A 48 -6.327 -6.059 25.757 1.00 51.14 H new ATOM 711 N LYS A 49 -4.122 -4.348 21.530 1.00 74.10 N ATOM 712 CA LYS A 49 -2.833 -4.449 20.857 1.00 60.13 C ATOM 713 C LYS A 49 -1.850 -5.271 21.684 1.00 1.35 C ATOM 714 O LYS A 49 -1.334 -4.802 22.700 1.00 13.02 O ATOM 715 CB LYS A 49 -2.258 -3.054 20.599 1.00 33.42 C ATOM 716 CG LYS A 49 -1.693 -2.878 19.200 1.00 34.04 C ATOM 717 CD LYS A 49 -1.628 -1.412 18.806 1.00 23.02 C ATOM 718 CE LYS A 49 -0.673 -0.636 19.701 1.00 71.50 C ATOM 719 NZ LYS A 49 -1.313 0.582 20.270 1.00 22.24 N ATOM 0 H LYS A 49 -4.401 -3.395 21.765 1.00 74.10 H new ATOM 0 HA LYS A 49 -2.988 -4.953 19.903 1.00 60.13 H new ATOM 0 HB2 LYS A 49 -3.040 -2.312 20.762 1.00 33.42 H new ATOM 0 HB3 LYS A 49 -1.472 -2.854 21.327 1.00 33.42 H new ATOM 0 HG2 LYS A 49 -0.695 -3.313 19.152 1.00 34.04 H new ATOM 0 HG3 LYS A 49 -2.312 -3.421 18.486 1.00 34.04 H new ATOM 0 HD2 LYS A 49 -1.306 -1.327 17.768 1.00 23.02 H new ATOM 0 HD3 LYS A 49 -2.624 -0.973 18.868 1.00 23.02 H new ATOM 0 HE2 LYS A 49 -0.331 -1.279 20.512 1.00 71.50 H new ATOM 0 HE3 LYS A 49 0.209 -0.349 19.129 1.00 71.50 H new ATOM 0 HZ1 LYS A 49 -0.630 1.083 20.874 1.00 22.24 H new ATOM 0 HZ2 LYS A 49 -1.616 1.208 19.497 1.00 22.24 H new ATOM 0 HZ3 LYS A 49 -2.140 0.307 20.837 1.00 22.24 H new ATOM 733 N LEU A 50 -1.593 -6.497 21.244 1.00 73.32 N ATOM 734 CA LEU A 50 -0.670 -7.384 21.943 1.00 20.14 C ATOM 735 C LEU A 50 0.696 -6.726 22.110 1.00 62.44 C ATOM 736 O LEU A 50 1.303 -6.279 21.138 1.00 65.02 O ATOM 737 CB LEU A 50 -0.524 -8.704 21.183 1.00 14.52 C ATOM 738 CG LEU A 50 -1.826 -9.433 20.849 1.00 31.05 C ATOM 739 CD1 LEU A 50 -1.826 -9.889 19.399 1.00 63.03 C ATOM 740 CD2 LEU A 50 -2.028 -10.618 21.783 1.00 41.12 C ATOM 0 H LEU A 50 -2.011 -6.900 20.406 1.00 73.32 H new ATOM 0 HA LEU A 50 -1.079 -7.586 22.933 1.00 20.14 H new ATOM 0 HB2 LEU A 50 0.008 -8.507 20.252 1.00 14.52 H new ATOM 0 HB3 LEU A 50 0.102 -9.373 21.773 1.00 14.52 H new ATOM 0 HG LEU A 50 -2.655 -8.739 20.990 1.00 31.05 H new ATOM 0 HD11 LEU A 50 -2.760 -10.406 19.180 1.00 63.03 H new ATOM 0 HD12 LEU A 50 -1.729 -9.022 18.745 1.00 63.03 H new ATOM 0 HD13 LEU A 50 -0.989 -10.566 19.231 1.00 63.03 H new ATOM 0 HD21 LEU A 50 -2.959 -11.125 21.531 1.00 41.12 H new ATOM 0 HD22 LEU A 50 -1.195 -11.313 21.674 1.00 41.12 H new ATOM 0 HD23 LEU A 50 -2.074 -10.265 22.813 1.00 41.12 H new ATOM 752 N GLY A 51 1.175 -6.673 23.349 1.00 61.30 N ATOM 753 CA GLY A 51 2.467 -6.071 23.620 1.00 42.33 C ATOM 754 C GLY A 51 3.552 -7.104 23.852 1.00 34.01 C ATOM 755 O GLY A 51 3.957 -7.807 22.926 1.00 21.44 O ATOM 0 H GLY A 51 0.691 -7.036 24.170 1.00 61.30 H new ATOM 0 HA2 GLY A 51 2.750 -5.434 22.782 1.00 42.33 H new ATOM 0 HA3 GLY A 51 2.388 -5.429 24.497 1.00 42.33 H new ATOM 759 N TYR A 52 4.024 -7.196 25.090 1.00 14.53 N ATOM 760 CA TYR A 52 5.071 -8.148 25.441 1.00 51.44 C ATOM 761 C TYR A 52 4.502 -9.557 25.579 1.00 2.52 C ATOM 762 O TYR A 52 4.587 -10.172 26.642 1.00 24.42 O ATOM 763 CB TYR A 52 5.753 -7.730 26.744 1.00 21.55 C ATOM 764 CG TYR A 52 7.100 -8.384 26.959 1.00 13.23 C ATOM 765 CD1 TYR A 52 8.221 -7.958 26.257 1.00 35.13 C ATOM 766 CD2 TYR A 52 7.251 -9.427 27.865 1.00 1.52 C ATOM 767 CE1 TYR A 52 9.452 -8.553 26.450 1.00 44.20 C ATOM 768 CE2 TYR A 52 8.479 -10.026 28.065 1.00 25.14 C ATOM 769 CZ TYR A 52 9.577 -9.586 27.355 1.00 31.11 C ATOM 770 OH TYR A 52 10.803 -10.180 27.551 1.00 74.11 O ATOM 0 H TYR A 52 3.698 -6.622 25.868 1.00 14.53 H new ATOM 0 HA TYR A 52 5.808 -8.151 24.638 1.00 51.44 H new ATOM 0 HB2 TYR A 52 5.879 -6.647 26.747 1.00 21.55 H new ATOM 0 HB3 TYR A 52 5.101 -7.977 27.581 1.00 21.55 H new ATOM 0 HD1 TYR A 52 8.128 -7.148 25.549 1.00 35.13 H new ATOM 0 HD2 TYR A 52 6.394 -9.775 28.422 1.00 1.52 H new ATOM 0 HE1 TYR A 52 10.313 -8.211 25.895 1.00 44.20 H new ATOM 0 HE2 TYR A 52 8.579 -10.835 28.774 1.00 25.14 H new ATOM 0 HH TYR A 52 10.719 -10.889 28.222 1.00 74.11 H new ATOM 780 N THR A 53 3.921 -10.062 24.496 1.00 62.54 N ATOM 781 CA THR A 53 3.338 -11.398 24.494 1.00 15.23 C ATOM 782 C THR A 53 4.173 -12.362 23.661 1.00 61.45 C ATOM 783 O THR A 53 4.814 -11.963 22.688 1.00 62.22 O ATOM 784 CB THR A 53 1.897 -11.381 23.949 1.00 41.22 C ATOM 785 OG1 THR A 53 1.325 -10.079 24.117 1.00 51.11 O ATOM 786 CG2 THR A 53 1.037 -12.414 24.660 1.00 33.12 C ATOM 0 H THR A 53 3.841 -9.566 23.608 1.00 62.54 H new ATOM 0 HA THR A 53 3.323 -11.737 25.530 1.00 15.23 H new ATOM 0 HB THR A 53 1.931 -11.628 22.888 1.00 41.22 H new ATOM 0 HG1 THR A 53 0.366 -10.115 23.917 1.00 51.11 H new ATOM 0 HG21 THR A 53 0.024 -12.383 24.258 1.00 33.12 H new ATOM 0 HG22 THR A 53 1.459 -13.407 24.505 1.00 33.12 H new ATOM 0 HG23 THR A 53 1.011 -12.193 25.727 1.00 33.12 H new ATOM 794 N HIS A 54 4.162 -13.634 24.047 1.00 73.33 N ATOM 795 CA HIS A 54 4.918 -14.657 23.333 1.00 43.20 C ATOM 796 C HIS A 54 4.492 -14.726 21.870 1.00 74.22 C ATOM 797 O HIS A 54 5.245 -15.193 21.016 1.00 11.30 O ATOM 798 CB HIS A 54 4.726 -16.020 23.998 1.00 61.35 C ATOM 799 CG HIS A 54 5.986 -16.587 24.577 1.00 34.00 C ATOM 800 ND1 HIS A 54 6.705 -17.596 23.972 1.00 42.42 N ATOM 801 CD2 HIS A 54 6.654 -16.279 25.713 1.00 21.41 C ATOM 802 CE1 HIS A 54 7.761 -17.885 24.711 1.00 31.14 C ATOM 803 NE2 HIS A 54 7.753 -17.100 25.774 1.00 64.14 N ATOM 0 H HIS A 54 3.638 -13.981 24.850 1.00 73.33 H new ATOM 0 HA HIS A 54 5.973 -14.388 23.373 1.00 43.20 H new ATOM 0 HB2 HIS A 54 3.982 -15.927 24.789 1.00 61.35 H new ATOM 0 HB3 HIS A 54 4.326 -16.720 23.264 1.00 61.35 H new ATOM 0 HD2 HIS A 54 6.375 -15.528 26.437 1.00 21.41 H new ATOM 0 HE1 HIS A 54 8.504 -18.635 24.485 1.00 31.14 H new ATOM 0 HE2 HIS A 54 8.450 -17.103 26.519 1.00 64.14 H new ATOM 811 N GLU A 55 3.279 -14.259 21.589 1.00 31.51 N ATOM 812 CA GLU A 55 2.753 -14.271 20.229 1.00 13.23 C ATOM 813 C GLU A 55 3.327 -13.116 19.414 1.00 0.30 C ATOM 814 O GLU A 55 3.273 -13.122 18.184 1.00 54.41 O ATOM 815 CB GLU A 55 1.225 -14.185 20.249 1.00 21.31 C ATOM 816 CG GLU A 55 0.565 -15.284 21.065 1.00 75.14 C ATOM 817 CD GLU A 55 -0.773 -15.712 20.492 1.00 42.01 C ATOM 818 OE1 GLU A 55 -0.788 -16.628 19.643 1.00 32.12 O ATOM 819 OE2 GLU A 55 -1.803 -15.131 20.892 1.00 72.13 O ATOM 0 H GLU A 55 2.643 -13.868 22.284 1.00 31.51 H new ATOM 0 HA GLU A 55 3.051 -15.208 19.759 1.00 13.23 H new ATOM 0 HB2 GLU A 55 0.929 -13.217 20.653 1.00 21.31 H new ATOM 0 HB3 GLU A 55 0.853 -14.231 19.225 1.00 21.31 H new ATOM 0 HG2 GLU A 55 1.229 -16.147 21.110 1.00 75.14 H new ATOM 0 HG3 GLU A 55 0.424 -14.937 22.088 1.00 75.14 H new ATOM 826 N CYS A 56 3.877 -12.125 20.108 1.00 21.35 N ATOM 827 CA CYS A 56 4.461 -10.962 19.451 1.00 30.24 C ATOM 828 C CYS A 56 5.919 -11.221 19.081 1.00 34.24 C ATOM 829 O CYS A 56 6.621 -10.322 18.621 1.00 61.01 O ATOM 830 CB CYS A 56 4.364 -9.735 20.360 1.00 63.01 C ATOM 831 SG CYS A 56 2.760 -8.876 20.280 1.00 0.45 S ATOM 0 H CYS A 56 3.930 -12.104 21.126 1.00 21.35 H new ATOM 0 HA CYS A 56 3.900 -10.773 18.535 1.00 30.24 H new ATOM 0 HB2 CYS A 56 4.548 -10.043 21.389 1.00 63.01 H new ATOM 0 HB3 CYS A 56 5.154 -9.033 20.091 1.00 63.01 H new ATOM 836 N GLU A 57 6.365 -12.457 19.286 1.00 11.43 N ATOM 837 CA GLU A 57 7.739 -12.833 18.975 1.00 73.24 C ATOM 838 C GLU A 57 8.085 -12.482 17.530 1.00 32.34 C ATOM 839 O GLU A 57 9.225 -12.137 17.221 1.00 14.14 O ATOM 840 CB GLU A 57 7.947 -14.331 19.211 1.00 14.41 C ATOM 841 CG GLU A 57 9.397 -14.770 19.094 1.00 15.33 C ATOM 842 CD GLU A 57 9.610 -15.790 17.993 1.00 22.22 C ATOM 843 OE1 GLU A 57 9.791 -15.378 16.828 1.00 31.15 O ATOM 844 OE2 GLU A 57 9.597 -17.001 18.297 1.00 31.52 O ATOM 0 H GLU A 57 5.796 -13.213 19.665 1.00 11.43 H new ATOM 0 HA GLU A 57 8.401 -12.273 19.636 1.00 73.24 H new ATOM 0 HB2 GLU A 57 7.577 -14.589 20.203 1.00 14.41 H new ATOM 0 HB3 GLU A 57 7.348 -14.890 18.492 1.00 14.41 H new ATOM 0 HG2 GLU A 57 10.022 -13.898 18.902 1.00 15.33 H new ATOM 0 HG3 GLU A 57 9.722 -15.193 20.044 1.00 15.33 H new ATOM 851 N GLU A 58 7.092 -12.575 16.651 1.00 41.50 N ATOM 852 CA GLU A 58 7.292 -12.268 15.239 1.00 21.34 C ATOM 853 C GLU A 58 7.650 -10.797 15.047 1.00 34.32 C ATOM 854 O GLU A 58 8.343 -10.435 14.097 1.00 21.23 O ATOM 855 CB GLU A 58 6.034 -12.608 14.438 1.00 53.42 C ATOM 856 CG GLU A 58 5.782 -14.100 14.304 1.00 55.15 C ATOM 857 CD GLU A 58 4.392 -14.500 14.761 1.00 25.42 C ATOM 858 OE1 GLU A 58 3.461 -14.467 13.931 1.00 52.15 O ATOM 859 OE2 GLU A 58 4.238 -14.848 15.951 1.00 53.41 O ATOM 0 H GLU A 58 6.142 -12.860 16.891 1.00 41.50 H new ATOM 0 HA GLU A 58 8.121 -12.875 14.875 1.00 21.34 H new ATOM 0 HB2 GLU A 58 5.172 -12.144 14.917 1.00 53.42 H new ATOM 0 HB3 GLU A 58 6.118 -12.172 13.443 1.00 53.42 H new ATOM 0 HG2 GLU A 58 5.918 -14.396 13.264 1.00 55.15 H new ATOM 0 HG3 GLU A 58 6.523 -14.644 14.889 1.00 55.15 H new ATOM 866 N ALA A 59 7.170 -9.954 15.956 1.00 62.30 N ATOM 867 CA ALA A 59 7.440 -8.523 15.888 1.00 32.50 C ATOM 868 C ALA A 59 8.924 -8.234 16.087 1.00 33.32 C ATOM 869 O ALA A 59 9.476 -7.323 15.471 1.00 41.43 O ATOM 870 CB ALA A 59 6.611 -7.781 16.926 1.00 44.52 C ATOM 0 H ALA A 59 6.593 -10.237 16.748 1.00 62.30 H new ATOM 0 HA ALA A 59 7.159 -8.171 14.895 1.00 32.50 H new ATOM 0 HB1 ALA A 59 6.822 -6.713 16.865 1.00 44.52 H new ATOM 0 HB2 ALA A 59 5.552 -7.953 16.736 1.00 44.52 H new ATOM 0 HB3 ALA A 59 6.865 -8.144 17.922 1.00 44.52 H new ATOM 876 N ILE A 60 9.563 -9.015 16.952 1.00 61.15 N ATOM 877 CA ILE A 60 10.983 -8.842 17.231 1.00 62.22 C ATOM 878 C ILE A 60 11.807 -8.901 15.949 1.00 73.22 C ATOM 879 O ILE A 60 12.723 -8.103 15.749 1.00 71.33 O ATOM 880 CB ILE A 60 11.499 -9.914 18.209 1.00 61.32 C ATOM 881 CG1 ILE A 60 10.699 -9.874 19.513 1.00 43.34 C ATOM 882 CG2 ILE A 60 12.982 -9.711 18.484 1.00 55.31 C ATOM 883 CD1 ILE A 60 10.970 -11.050 20.424 1.00 32.13 C ATOM 0 H ILE A 60 9.120 -9.773 17.471 1.00 61.15 H new ATOM 0 HA ILE A 60 11.097 -7.859 17.688 1.00 62.22 H new ATOM 0 HB ILE A 60 11.365 -10.895 17.753 1.00 61.32 H new ATOM 0 HG12 ILE A 60 10.932 -8.952 20.045 1.00 43.34 H new ATOM 0 HG13 ILE A 60 9.635 -9.845 19.277 1.00 43.34 H new ATOM 0 HG21 ILE A 60 13.332 -10.476 19.177 1.00 55.31 H new ATOM 0 HG22 ILE A 60 13.539 -9.785 17.550 1.00 55.31 H new ATOM 0 HG23 ILE A 60 13.139 -8.726 18.923 1.00 55.31 H new ATOM 0 HD11 ILE A 60 10.369 -10.956 21.329 1.00 32.13 H new ATOM 0 HD12 ILE A 60 10.710 -11.976 19.910 1.00 32.13 H new ATOM 0 HD13 ILE A 60 12.027 -11.068 20.691 1.00 32.13 H new ATOM 895 N LYS A 61 11.474 -9.851 15.081 1.00 15.22 N ATOM 896 CA LYS A 61 12.179 -10.013 13.816 1.00 62.43 C ATOM 897 C LYS A 61 11.623 -9.066 12.757 1.00 24.12 C ATOM 898 O LYS A 61 12.370 -8.523 11.944 1.00 13.31 O ATOM 899 CB LYS A 61 12.069 -11.460 13.329 1.00 20.10 C ATOM 900 CG LYS A 61 10.637 -11.937 13.158 1.00 21.01 C ATOM 901 CD LYS A 61 10.583 -13.368 12.650 1.00 52.13 C ATOM 902 CE LYS A 61 9.436 -13.569 11.671 1.00 12.41 C ATOM 903 NZ LYS A 61 9.681 -12.872 10.378 1.00 5.22 N ATOM 0 H LYS A 61 10.719 -10.521 15.231 1.00 15.22 H new ATOM 0 HA LYS A 61 13.229 -9.770 13.981 1.00 62.43 H new ATOM 0 HB2 LYS A 61 12.591 -11.555 12.377 1.00 20.10 H new ATOM 0 HB3 LYS A 61 12.578 -12.113 14.038 1.00 20.10 H new ATOM 0 HG2 LYS A 61 10.113 -11.868 14.112 1.00 21.01 H new ATOM 0 HG3 LYS A 61 10.115 -11.282 12.460 1.00 21.01 H new ATOM 0 HD2 LYS A 61 11.526 -13.618 12.164 1.00 52.13 H new ATOM 0 HD3 LYS A 61 10.468 -14.050 13.492 1.00 52.13 H new ATOM 0 HE2 LYS A 61 9.297 -14.635 11.488 1.00 12.41 H new ATOM 0 HE3 LYS A 61 8.512 -13.198 12.114 1.00 12.41 H new ATOM 0 HZ1 LYS A 61 9.067 -13.277 9.643 1.00 5.22 H new ATOM 0 HZ2 LYS A 61 9.471 -11.859 10.485 1.00 5.22 H new ATOM 0 HZ3 LYS A 61 10.676 -12.992 10.102 1.00 5.22 H new ATOM 917 N ASN A 62 10.309 -8.872 12.775 1.00 73.11 N ATOM 918 CA ASN A 62 9.653 -7.989 11.817 1.00 64.33 C ATOM 919 C ASN A 62 10.173 -6.561 11.950 1.00 54.22 C ATOM 920 O ASN A 62 10.107 -5.775 11.005 1.00 32.10 O ATOM 921 CB ASN A 62 8.138 -8.014 12.023 1.00 75.14 C ATOM 922 CG ASN A 62 7.464 -9.114 11.225 1.00 54.33 C ATOM 923 OD1 ASN A 62 7.341 -10.247 11.690 1.00 54.05 O ATOM 924 ND2 ASN A 62 7.024 -8.783 10.016 1.00 15.23 N ATOM 0 H ASN A 62 9.677 -9.314 13.442 1.00 73.11 H new ATOM 0 HA ASN A 62 9.882 -8.348 10.814 1.00 64.33 H new ATOM 0 HB2 ASN A 62 7.920 -8.152 13.082 1.00 75.14 H new ATOM 0 HB3 ASN A 62 7.719 -7.050 11.734 1.00 75.14 H new ATOM 0 HD21 ASN A 62 6.562 -9.481 9.433 1.00 15.23 H new ATOM 0 HD22 ASN A 62 7.148 -7.831 9.671 1.00 15.23 H new ATOM 931 N ALA A 63 10.689 -6.232 13.129 1.00 22.44 N ATOM 932 CA ALA A 63 11.222 -4.900 13.386 1.00 62.23 C ATOM 933 C ALA A 63 12.284 -4.526 12.357 1.00 21.52 C ATOM 934 O ALA A 63 12.860 -5.382 11.685 1.00 73.13 O ATOM 935 CB ALA A 63 11.797 -4.823 14.792 1.00 31.34 C ATOM 0 H ALA A 63 10.749 -6.870 13.922 1.00 22.44 H new ATOM 0 HA ALA A 63 10.403 -4.186 13.301 1.00 62.23 H new ATOM 0 HB1 ALA A 63 12.191 -3.822 14.970 1.00 31.34 H new ATOM 0 HB2 ALA A 63 11.013 -5.038 15.518 1.00 31.34 H new ATOM 0 HB3 ALA A 63 12.599 -5.553 14.897 1.00 31.34 H new