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 Set 1.1: A 46 ASN : amide:sc= -0.0393 X(o=-0.84,f=-1.1) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -0.803 X(o=-0.84,f=-0.93) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 HE2:sc= -1.01 K(o=-0.97,f=-2.7) USER MOD Single : A 23 ASN : amide:sc= -0.0235 K(o=-0.024,f=-0.61) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.61) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.294 (180deg=-1.51!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.2) USER MOD Single : A 44 ASN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= -0.509 (180deg=-1.37) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -130:sc= -0.522 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00585 X(o=-0.0059,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 6 -12.907 -4.924 8.450 1.00 33.04 N ATOM 66 CA ASP A 6 -13.269 -4.299 7.184 1.00 54.14 C ATOM 67 C ASP A 6 -12.794 -2.850 7.137 1.00 62.21 C ATOM 68 O ASP A 6 -13.525 -1.959 6.704 1.00 33.04 O ATOM 69 CB ASP A 6 -14.784 -4.359 6.975 1.00 5.44 C ATOM 70 CG ASP A 6 -15.159 -4.658 5.537 1.00 22.45 C ATOM 71 OD1 ASP A 6 -14.552 -5.575 4.945 1.00 2.30 O ATOM 72 OD2 ASP A 6 -16.059 -3.976 5.004 1.00 31.23 O ATOM 0 HA ASP A 6 -12.777 -4.850 6.382 1.00 54.14 H new ATOM 0 HB2 ASP A 6 -15.207 -5.125 7.625 1.00 5.44 H new ATOM 0 HB3 ASP A 6 -15.227 -3.409 7.273 1.00 5.44 H new ATOM 77 N CYS A 7 -11.564 -2.622 7.586 1.00 52.21 N ATOM 78 CA CYS A 7 -10.990 -1.282 7.597 1.00 14.43 C ATOM 79 C CYS A 7 -10.261 -0.991 6.289 1.00 53.13 C ATOM 80 O CYS A 7 -9.540 -1.840 5.767 1.00 24.34 O ATOM 81 CB CYS A 7 -10.027 -1.127 8.776 1.00 53.41 C ATOM 82 SG CYS A 7 -9.289 0.533 8.920 1.00 71.44 S ATOM 0 H CYS A 7 -10.946 -3.348 7.947 1.00 52.21 H new ATOM 0 HA CYS A 7 -11.805 -0.566 7.705 1.00 14.43 H new ATOM 0 HB2 CYS A 7 -10.559 -1.358 9.699 1.00 53.41 H new ATOM 0 HB3 CYS A 7 -9.227 -1.861 8.677 1.00 53.41 H new ATOM 87 N GLU A 8 -10.456 0.215 5.765 1.00 42.25 N ATOM 88 CA GLU A 8 -9.817 0.617 4.517 1.00 51.22 C ATOM 89 C GLU A 8 -9.037 1.916 4.699 1.00 53.33 C ATOM 90 O GLU A 8 -9.498 2.862 5.338 1.00 12.10 O ATOM 91 CB GLU A 8 -10.864 0.788 3.414 1.00 1.01 C ATOM 92 CG GLU A 8 -10.294 1.327 2.112 1.00 35.34 C ATOM 93 CD GLU A 8 -11.373 1.695 1.112 1.00 61.41 C ATOM 94 OE1 GLU A 8 -12.469 2.105 1.547 1.00 54.14 O ATOM 95 OE2 GLU A 8 -11.121 1.572 -0.105 1.00 1.11 O ATOM 0 H GLU A 8 -11.050 0.930 6.184 1.00 42.25 H new ATOM 0 HA GLU A 8 -9.119 -0.168 4.227 1.00 51.22 H new ATOM 0 HB2 GLU A 8 -11.338 -0.175 3.222 1.00 1.01 H new ATOM 0 HB3 GLU A 8 -11.644 1.463 3.766 1.00 1.01 H new ATOM 0 HG2 GLU A 8 -9.684 2.205 2.323 1.00 35.34 H new ATOM 0 HG3 GLU A 8 -9.635 0.579 1.671 1.00 35.34 H new ATOM 102 N PRO A 9 -7.826 1.964 4.124 1.00 55.52 N ATOM 103 CA PRO A 9 -6.956 3.141 4.208 1.00 15.30 C ATOM 104 C PRO A 9 -7.494 4.319 3.402 1.00 72.30 C ATOM 105 O PRO A 9 -8.521 4.209 2.732 1.00 72.41 O ATOM 106 CB PRO A 9 -5.634 2.648 3.616 1.00 21.33 C ATOM 107 CG PRO A 9 -6.018 1.528 2.711 1.00 11.34 C ATOM 108 CD PRO A 9 -7.214 0.874 3.347 1.00 43.14 C ATOM 0 HA PRO A 9 -6.870 3.511 5.229 1.00 15.30 H new ATOM 0 HB2 PRO A 9 -5.125 3.442 3.069 1.00 21.33 H new ATOM 0 HB3 PRO A 9 -4.952 2.310 4.397 1.00 21.33 H new ATOM 0 HG2 PRO A 9 -6.259 1.897 1.714 1.00 11.34 H new ATOM 0 HG3 PRO A 9 -5.198 0.818 2.599 1.00 11.34 H new ATOM 0 HD2 PRO A 9 -7.901 0.479 2.599 1.00 43.14 H new ATOM 0 HD3 PRO A 9 -6.924 0.039 3.985 1.00 43.14 H new ATOM 116 N LYS A 10 -6.794 5.446 3.471 1.00 61.34 N ATOM 117 CA LYS A 10 -7.199 6.644 2.746 1.00 52.31 C ATOM 118 C LYS A 10 -6.220 7.787 2.994 1.00 40.22 C ATOM 119 O LYS A 10 -5.968 8.605 2.108 1.00 5.21 O ATOM 120 CB LYS A 10 -8.609 7.066 3.165 1.00 11.55 C ATOM 121 CG LYS A 10 -9.617 7.035 2.029 1.00 3.34 C ATOM 122 CD LYS A 10 -10.981 6.567 2.507 1.00 52.41 C ATOM 123 CE LYS A 10 -11.870 7.741 2.892 1.00 64.54 C ATOM 124 NZ LYS A 10 -12.879 7.359 3.917 1.00 33.34 N ATOM 0 H LYS A 10 -5.943 5.555 4.022 1.00 61.34 H new ATOM 0 HA LYS A 10 -7.197 6.412 1.681 1.00 52.31 H new ATOM 0 HB2 LYS A 10 -8.954 6.409 3.963 1.00 11.55 H new ATOM 0 HB3 LYS A 10 -8.570 8.074 3.577 1.00 11.55 H new ATOM 0 HG2 LYS A 10 -9.705 8.030 1.592 1.00 3.34 H new ATOM 0 HG3 LYS A 10 -9.259 6.372 1.242 1.00 3.34 H new ATOM 0 HD2 LYS A 10 -11.464 5.986 1.721 1.00 52.41 H new ATOM 0 HD3 LYS A 10 -10.860 5.905 3.364 1.00 52.41 H new ATOM 0 HE2 LYS A 10 -11.253 8.554 3.275 1.00 64.54 H new ATOM 0 HE3 LYS A 10 -12.378 8.118 2.005 1.00 64.54 H new ATOM 0 HZ1 LYS A 10 -13.465 8.185 4.152 1.00 33.34 H new ATOM 0 HZ2 LYS A 10 -13.485 6.601 3.542 1.00 33.34 H new ATOM 0 HZ3 LYS A 10 -12.394 7.023 4.773 1.00 33.34 H new ATOM 138 N LEU A 11 -5.670 7.837 4.202 1.00 12.51 N ATOM 139 CA LEU A 11 -4.717 8.880 4.566 1.00 24.20 C ATOM 140 C LEU A 11 -3.965 8.510 5.841 1.00 74.41 C ATOM 141 O LEU A 11 -4.549 8.453 6.924 1.00 42.11 O ATOM 142 CB LEU A 11 -5.438 10.215 4.755 1.00 13.23 C ATOM 143 CG LEU A 11 -4.903 11.389 3.935 1.00 53.41 C ATOM 144 CD1 LEU A 11 -5.664 12.664 4.268 1.00 71.45 C ATOM 145 CD2 LEU A 11 -3.413 11.576 4.180 1.00 11.42 C ATOM 0 H LEU A 11 -5.867 7.168 4.946 1.00 12.51 H new ATOM 0 HA LEU A 11 -3.995 8.976 3.755 1.00 24.20 H new ATOM 0 HB2 LEU A 11 -6.490 10.075 4.508 1.00 13.23 H new ATOM 0 HB3 LEU A 11 -5.392 10.484 5.810 1.00 13.23 H new ATOM 0 HG LEU A 11 -5.052 11.167 2.878 1.00 53.41 H new ATOM 0 HD11 LEU A 11 -5.269 13.489 3.675 1.00 71.45 H new ATOM 0 HD12 LEU A 11 -6.721 12.527 4.040 1.00 71.45 H new ATOM 0 HD13 LEU A 11 -5.547 12.891 5.328 1.00 71.45 H new ATOM 0 HD21 LEU A 11 -3.050 12.416 3.588 1.00 11.42 H new ATOM 0 HD22 LEU A 11 -3.240 11.776 5.238 1.00 11.42 H new ATOM 0 HD23 LEU A 11 -2.880 10.670 3.890 1.00 11.42 H new ATOM 157 N CYS A 12 -2.667 8.260 5.705 1.00 34.02 N ATOM 158 CA CYS A 12 -1.835 7.897 6.845 1.00 23.05 C ATOM 159 C CYS A 12 -0.357 8.106 6.528 1.00 2.23 C ATOM 160 O CYS A 12 0.004 8.473 5.410 1.00 44.14 O ATOM 161 CB CYS A 12 -2.081 6.440 7.240 1.00 35.45 C ATOM 162 SG CYS A 12 -2.013 5.270 5.846 1.00 71.51 S ATOM 0 H CYS A 12 -2.169 8.302 4.816 1.00 34.02 H new ATOM 0 HA CYS A 12 -2.105 8.543 7.680 1.00 23.05 H new ATOM 0 HB2 CYS A 12 -1.340 6.146 7.983 1.00 35.45 H new ATOM 0 HB3 CYS A 12 -3.058 6.364 7.717 1.00 35.45 H new ATOM 167 N THR A 13 0.495 7.870 7.521 1.00 2.03 N ATOM 168 CA THR A 13 1.933 8.033 7.350 1.00 62.05 C ATOM 169 C THR A 13 2.680 6.757 7.722 1.00 14.13 C ATOM 170 O THR A 13 2.298 6.055 8.658 1.00 21.20 O ATOM 171 CB THR A 13 2.472 9.197 8.202 1.00 44.31 C ATOM 172 OG1 THR A 13 1.479 10.222 8.315 1.00 1.42 O ATOM 173 CG2 THR A 13 3.738 9.776 7.588 1.00 2.22 C ATOM 0 H THR A 13 0.213 7.565 8.453 1.00 2.03 H new ATOM 0 HA THR A 13 2.102 8.255 6.296 1.00 62.05 H new ATOM 0 HB THR A 13 2.711 8.812 9.193 1.00 44.31 H new ATOM 0 HG1 THR A 13 1.829 10.958 8.860 1.00 1.42 H new ATOM 0 HG21 THR A 13 4.100 10.597 8.207 1.00 2.22 H new ATOM 0 HG22 THR A 13 4.502 9.001 7.530 1.00 2.22 H new ATOM 0 HG23 THR A 13 3.520 10.146 6.586 1.00 2.22 H new ATOM 181 N MET A 14 3.745 6.464 6.985 1.00 64.33 N ATOM 182 CA MET A 14 4.547 5.272 7.240 1.00 15.21 C ATOM 183 C MET A 14 5.439 5.468 8.462 1.00 54.52 C ATOM 184 O MET A 14 5.514 6.565 9.017 1.00 63.30 O ATOM 185 CB MET A 14 5.403 4.935 6.018 1.00 54.43 C ATOM 186 CG MET A 14 6.596 5.860 5.838 1.00 21.54 C ATOM 187 SD MET A 14 8.149 5.095 6.345 1.00 14.22 S ATOM 188 CE MET A 14 9.328 6.324 5.789 1.00 31.54 C ATOM 0 H MET A 14 4.074 7.035 6.206 1.00 64.33 H new ATOM 0 HA MET A 14 3.867 4.443 7.437 1.00 15.21 H new ATOM 0 HB2 MET A 14 5.759 3.909 6.106 1.00 54.43 H new ATOM 0 HB3 MET A 14 4.780 4.981 5.125 1.00 54.43 H new ATOM 0 HG2 MET A 14 6.666 6.157 4.792 1.00 21.54 H new ATOM 0 HG3 MET A 14 6.437 6.769 6.418 1.00 21.54 H new ATOM 0 HE1 MET A 14 10.338 5.995 6.031 1.00 31.54 H new ATOM 0 HE2 MET A 14 9.237 6.453 4.711 1.00 31.54 H new ATOM 0 HE3 MET A 14 9.127 7.273 6.286 1.00 31.54 H new ATOM 198 N ASP A 15 6.112 4.400 8.875 1.00 14.30 N ATOM 199 CA ASP A 15 6.999 4.456 10.031 1.00 62.22 C ATOM 200 C ASP A 15 7.650 3.099 10.282 1.00 33.00 C ATOM 201 O ASP A 15 7.523 2.178 9.473 1.00 13.45 O ATOM 202 CB ASP A 15 6.227 4.903 11.273 1.00 72.21 C ATOM 203 CG ASP A 15 7.001 5.905 12.106 1.00 14.51 C ATOM 204 OD1 ASP A 15 8.246 5.916 12.017 1.00 64.12 O ATOM 205 OD2 ASP A 15 6.360 6.680 12.847 1.00 44.31 O ATOM 0 H ASP A 15 6.060 3.485 8.427 1.00 14.30 H new ATOM 0 HA ASP A 15 7.784 5.183 9.821 1.00 62.22 H new ATOM 0 HB2 ASP A 15 5.278 5.344 10.968 1.00 72.21 H new ATOM 0 HB3 ASP A 15 5.992 4.032 11.884 1.00 72.21 H new ATOM 210 N LEU A 16 8.347 2.982 11.407 1.00 41.35 N ATOM 211 CA LEU A 16 9.019 1.738 11.764 1.00 21.14 C ATOM 212 C LEU A 16 8.594 1.269 13.152 1.00 1.24 C ATOM 213 O LEU A 16 9.421 0.829 13.951 1.00 63.22 O ATOM 214 CB LEU A 16 10.537 1.923 11.719 1.00 52.42 C ATOM 215 CG LEU A 16 11.065 2.874 10.644 1.00 13.51 C ATOM 216 CD1 LEU A 16 11.197 4.285 11.198 1.00 61.33 C ATOM 217 CD2 LEU A 16 12.401 2.383 10.107 1.00 71.13 C ATOM 0 H LEU A 16 8.461 3.733 12.087 1.00 41.35 H new ATOM 0 HA LEU A 16 8.730 0.977 11.039 1.00 21.14 H new ATOM 0 HB2 LEU A 16 10.868 2.287 12.692 1.00 52.42 H new ATOM 0 HB3 LEU A 16 10.998 0.946 11.570 1.00 52.42 H new ATOM 0 HG LEU A 16 10.351 2.894 9.821 1.00 13.51 H new ATOM 0 HD11 LEU A 16 11.574 4.948 10.419 1.00 61.33 H new ATOM 0 HD12 LEU A 16 10.221 4.637 11.533 1.00 61.33 H new ATOM 0 HD13 LEU A 16 11.890 4.282 12.039 1.00 61.33 H new ATOM 0 HD21 LEU A 16 12.761 3.072 9.343 1.00 71.13 H new ATOM 0 HD22 LEU A 16 13.124 2.333 10.921 1.00 71.13 H new ATOM 0 HD23 LEU A 16 12.276 1.392 9.672 1.00 71.13 H new ATOM 229 N VAL A 17 7.298 1.365 13.433 1.00 43.13 N ATOM 230 CA VAL A 17 6.762 0.948 14.723 1.00 63.01 C ATOM 231 C VAL A 17 5.908 -0.307 14.583 1.00 12.23 C ATOM 232 O VAL A 17 4.690 -0.243 14.412 1.00 2.02 O ATOM 233 CB VAL A 17 5.916 2.063 15.366 1.00 25.23 C ATOM 234 CG1 VAL A 17 5.345 1.599 16.697 1.00 34.22 C ATOM 235 CG2 VAL A 17 6.746 3.325 15.544 1.00 4.23 C ATOM 0 H VAL A 17 6.600 1.728 12.784 1.00 43.13 H new ATOM 0 HA VAL A 17 7.615 0.733 15.366 1.00 63.01 H new ATOM 0 HB VAL A 17 5.084 2.294 14.701 1.00 25.23 H new ATOM 0 HG11 VAL A 17 4.750 2.400 17.137 1.00 34.22 H new ATOM 0 HG12 VAL A 17 4.714 0.724 16.537 1.00 34.22 H new ATOM 0 HG13 VAL A 17 6.160 1.340 17.372 1.00 34.22 H new ATOM 0 HG21 VAL A 17 6.133 4.103 16.000 1.00 4.23 H new ATOM 0 HG22 VAL A 17 7.599 3.112 16.188 1.00 4.23 H new ATOM 0 HG23 VAL A 17 7.102 3.667 14.572 1.00 4.23 H new ATOM 245 N PRO A 18 6.559 -1.477 14.658 1.00 33.21 N ATOM 246 CA PRO A 18 5.878 -2.770 14.544 1.00 72.44 C ATOM 247 C PRO A 18 4.997 -3.071 15.752 1.00 43.13 C ATOM 248 O PRO A 18 5.461 -3.046 16.892 1.00 1.43 O ATOM 249 CB PRO A 18 7.032 -3.773 14.460 1.00 12.33 C ATOM 250 CG PRO A 18 8.171 -3.097 15.142 1.00 13.44 C ATOM 251 CD PRO A 18 8.009 -1.628 14.861 1.00 64.31 C ATOM 0 HA PRO A 18 5.205 -2.801 13.687 1.00 72.44 H new ATOM 0 HB2 PRO A 18 6.777 -4.712 14.951 1.00 12.33 H new ATOM 0 HB3 PRO A 18 7.275 -4.011 13.424 1.00 12.33 H new ATOM 0 HG2 PRO A 18 8.156 -3.293 16.214 1.00 13.44 H new ATOM 0 HG3 PRO A 18 9.125 -3.464 14.764 1.00 13.44 H new ATOM 0 HD2 PRO A 18 8.364 -1.018 15.692 1.00 64.31 H new ATOM 0 HD3 PRO A 18 8.572 -1.323 13.979 1.00 64.31 H new ATOM 259 N HIS A 19 3.725 -3.356 15.495 1.00 54.14 N ATOM 260 CA HIS A 19 2.779 -3.663 16.562 1.00 41.40 C ATOM 261 C HIS A 19 1.914 -4.864 16.193 1.00 62.01 C ATOM 262 O HIS A 19 1.576 -5.064 15.026 1.00 65.03 O ATOM 263 CB HIS A 19 1.893 -2.451 16.851 1.00 53.33 C ATOM 264 CG HIS A 19 1.055 -2.030 15.683 1.00 52.32 C ATOM 265 ND1 HIS A 19 1.532 -1.235 14.662 1.00 71.22 N ATOM 266 CD2 HIS A 19 -0.236 -2.299 15.376 1.00 2.14 C ATOM 267 CE1 HIS A 19 0.571 -1.032 13.779 1.00 75.43 C ATOM 268 NE2 HIS A 19 -0.513 -1.668 14.189 1.00 45.43 N ATOM 0 H HIS A 19 3.325 -3.381 14.557 1.00 54.14 H new ATOM 0 HA HIS A 19 3.348 -3.910 17.458 1.00 41.40 H new ATOM 0 HB2 HIS A 19 1.239 -2.681 17.692 1.00 53.33 H new ATOM 0 HB3 HIS A 19 2.523 -1.615 17.156 1.00 53.33 H new ATOM 0 HD1 HIS A 19 2.479 -0.862 14.599 1.00 71.22 H new ATOM 0 HD2 HIS A 19 -0.921 -2.899 15.957 1.00 2.14 H new ATOM 0 HE1 HIS A 19 0.656 -0.446 12.876 1.00 75.43 H new ATOM 276 N CYS A 20 1.559 -5.662 17.195 1.00 43.42 N ATOM 277 CA CYS A 20 0.735 -6.844 16.976 1.00 21.14 C ATOM 278 C CYS A 20 -0.726 -6.559 17.314 1.00 44.25 C ATOM 279 O CYS A 20 -1.034 -6.006 18.370 1.00 62.13 O ATOM 280 CB CYS A 20 1.247 -8.011 17.823 1.00 74.42 C ATOM 281 SG CYS A 20 3.063 -8.122 17.917 1.00 15.43 S ATOM 0 H CYS A 20 1.830 -5.511 18.167 1.00 43.42 H new ATOM 0 HA CYS A 20 0.800 -7.112 15.921 1.00 21.14 H new ATOM 0 HB2 CYS A 20 0.847 -7.916 18.832 1.00 74.42 H new ATOM 0 HB3 CYS A 20 0.858 -8.942 17.412 1.00 74.42 H new ATOM 286 N PHE A 21 -1.621 -6.940 16.409 1.00 52.23 N ATOM 287 CA PHE A 21 -3.050 -6.725 16.609 1.00 5.30 C ATOM 288 C PHE A 21 -3.849 -7.952 16.182 1.00 35.13 C ATOM 289 O PHE A 21 -3.353 -8.806 15.446 1.00 1.04 O ATOM 290 CB PHE A 21 -3.517 -5.498 15.823 1.00 74.42 C ATOM 291 CG PHE A 21 -4.577 -4.702 16.529 1.00 73.11 C ATOM 292 CD1 PHE A 21 -5.919 -4.988 16.339 1.00 75.41 C ATOM 293 CD2 PHE A 21 -4.231 -3.667 17.382 1.00 12.23 C ATOM 294 CE1 PHE A 21 -6.897 -4.258 16.987 1.00 14.14 C ATOM 295 CE2 PHE A 21 -5.205 -2.933 18.034 1.00 64.12 C ATOM 296 CZ PHE A 21 -6.539 -3.228 17.835 1.00 33.22 C ATOM 0 H PHE A 21 -1.383 -7.399 15.530 1.00 52.23 H new ATOM 0 HA PHE A 21 -3.222 -6.554 17.672 1.00 5.30 H new ATOM 0 HB2 PHE A 21 -2.660 -4.854 15.628 1.00 74.42 H new ATOM 0 HB3 PHE A 21 -3.900 -5.821 14.855 1.00 74.42 H new ATOM 0 HD1 PHE A 21 -6.204 -5.791 15.676 1.00 75.41 H new ATOM 0 HD2 PHE A 21 -3.189 -3.431 17.540 1.00 12.23 H new ATOM 0 HE1 PHE A 21 -7.940 -4.492 16.831 1.00 14.14 H new ATOM 0 HE2 PHE A 21 -4.922 -2.130 18.698 1.00 64.12 H new ATOM 0 HZ PHE A 21 -7.301 -2.654 18.341 1.00 33.22 H new ATOM 306 N LEU A 22 -5.090 -8.034 16.650 1.00 52.33 N ATOM 307 CA LEU A 22 -5.961 -9.157 16.318 1.00 45.52 C ATOM 308 C LEU A 22 -6.799 -8.848 15.082 1.00 75.32 C ATOM 309 O LEU A 22 -7.506 -7.842 15.034 1.00 22.21 O ATOM 310 CB LEU A 22 -6.874 -9.486 17.499 1.00 14.44 C ATOM 311 CG LEU A 22 -6.812 -10.923 18.016 1.00 22.43 C ATOM 312 CD1 LEU A 22 -7.307 -11.894 16.955 1.00 23.02 C ATOM 313 CD2 LEU A 22 -5.394 -11.275 18.444 1.00 35.11 C ATOM 0 H LEU A 22 -5.516 -7.336 17.260 1.00 52.33 H new ATOM 0 HA LEU A 22 -5.333 -10.021 16.102 1.00 45.52 H new ATOM 0 HB2 LEU A 22 -6.627 -8.814 18.321 1.00 14.44 H new ATOM 0 HB3 LEU A 22 -7.902 -9.270 17.209 1.00 14.44 H new ATOM 0 HG LEU A 22 -7.464 -11.004 18.886 1.00 22.43 H new ATOM 0 HD11 LEU A 22 -7.256 -12.912 17.341 1.00 23.02 H new ATOM 0 HD12 LEU A 22 -8.339 -11.656 16.697 1.00 23.02 H new ATOM 0 HD13 LEU A 22 -6.682 -11.811 16.066 1.00 23.02 H new ATOM 0 HD21 LEU A 22 -5.368 -12.302 18.809 1.00 35.11 H new ATOM 0 HD22 LEU A 22 -4.722 -11.176 17.592 1.00 35.11 H new ATOM 0 HD23 LEU A 22 -5.075 -10.599 19.238 1.00 35.11 H new ATOM 325 N ASN A 23 -6.718 -9.723 14.084 1.00 2.13 N ATOM 326 CA ASN A 23 -7.471 -9.545 12.848 1.00 31.02 C ATOM 327 C ASN A 23 -8.489 -10.666 12.666 1.00 75.34 C ATOM 328 O ASN A 23 -8.144 -11.845 12.581 1.00 2.11 O ATOM 329 CB ASN A 23 -6.521 -9.503 11.649 1.00 34.23 C ATOM 330 CG ASN A 23 -5.529 -8.360 11.738 1.00 61.05 C ATOM 331 OD1 ASN A 23 -4.661 -8.343 12.610 1.00 1.25 O ATOM 332 ND2 ASN A 23 -5.653 -7.397 10.831 1.00 32.52 N ATOM 0 H ASN A 23 -6.138 -10.562 14.108 1.00 2.13 H new ATOM 0 HA ASN A 23 -8.007 -8.598 12.911 1.00 31.02 H new ATOM 0 HB2 ASN A 23 -5.979 -10.447 11.585 1.00 34.23 H new ATOM 0 HB3 ASN A 23 -7.102 -9.406 10.732 1.00 34.23 H new ATOM 0 HD21 ASN A 23 -5.013 -6.603 10.840 1.00 32.52 H new ATOM 0 HD22 ASN A 23 -6.388 -7.452 10.126 1.00 32.52 H new ATOM 339 N PRO A 24 -9.776 -10.292 12.603 1.00 71.55 N ATOM 340 CA PRO A 24 -10.871 -11.251 12.428 1.00 33.11 C ATOM 341 C PRO A 24 -10.882 -11.872 11.035 1.00 23.25 C ATOM 342 O PRO A 24 -11.652 -12.792 10.762 1.00 14.35 O ATOM 343 CB PRO A 24 -12.125 -10.400 12.643 1.00 33.04 C ATOM 344 CG PRO A 24 -11.706 -9.013 12.296 1.00 32.30 C ATOM 345 CD PRO A 24 -10.261 -8.905 12.696 1.00 23.11 C ATOM 0 HA PRO A 24 -10.787 -12.094 13.114 1.00 33.11 H new ATOM 0 HB2 PRO A 24 -12.945 -10.736 12.009 1.00 33.04 H new ATOM 0 HB3 PRO A 24 -12.474 -10.462 13.674 1.00 33.04 H new ATOM 0 HG2 PRO A 24 -11.831 -8.823 11.230 1.00 32.30 H new ATOM 0 HG3 PRO A 24 -12.313 -8.278 12.824 1.00 32.30 H new ATOM 0 HD2 PRO A 24 -9.709 -8.241 12.031 1.00 23.11 H new ATOM 0 HD3 PRO A 24 -10.152 -8.508 13.705 1.00 23.11 H new ATOM 353 N GLU A 25 -10.021 -11.364 10.159 1.00 11.31 N ATOM 354 CA GLU A 25 -9.933 -11.870 8.794 1.00 2.34 C ATOM 355 C GLU A 25 -8.942 -13.027 8.706 1.00 3.32 C ATOM 356 O GLU A 25 -9.202 -14.034 8.048 1.00 33.10 O ATOM 357 CB GLU A 25 -9.514 -10.751 7.838 1.00 31.01 C ATOM 358 CG GLU A 25 -10.541 -10.458 6.757 1.00 12.25 C ATOM 359 CD GLU A 25 -10.359 -11.327 5.529 1.00 75.35 C ATOM 360 OE1 GLU A 25 -9.300 -11.219 4.876 1.00 75.11 O ATOM 361 OE2 GLU A 25 -11.277 -12.116 5.220 1.00 71.41 O ATOM 0 H GLU A 25 -9.375 -10.603 10.370 1.00 11.31 H new ATOM 0 HA GLU A 25 -10.918 -12.235 8.505 1.00 2.34 H new ATOM 0 HB2 GLU A 25 -9.334 -9.842 8.412 1.00 31.01 H new ATOM 0 HB3 GLU A 25 -8.570 -11.022 7.366 1.00 31.01 H new ATOM 0 HG2 GLU A 25 -11.542 -10.611 7.161 1.00 12.25 H new ATOM 0 HG3 GLU A 25 -10.471 -9.409 6.469 1.00 12.25 H new ATOM 368 N LYS A 26 -7.803 -12.875 9.374 1.00 41.44 N ATOM 369 CA LYS A 26 -6.771 -13.905 9.373 1.00 75.13 C ATOM 370 C LYS A 26 -6.368 -14.273 10.797 1.00 14.22 C ATOM 371 O LYS A 26 -6.329 -15.448 11.158 1.00 63.44 O ATOM 372 CB LYS A 26 -5.545 -13.428 8.592 1.00 52.35 C ATOM 373 CG LYS A 26 -5.083 -12.034 8.978 1.00 4.42 C ATOM 374 CD LYS A 26 -4.012 -11.518 8.031 1.00 73.43 C ATOM 375 CE LYS A 26 -3.853 -10.010 8.137 1.00 2.54 C ATOM 376 NZ LYS A 26 -2.617 -9.533 7.457 1.00 52.24 N ATOM 0 H LYS A 26 -7.571 -12.047 9.923 1.00 41.44 H new ATOM 0 HA LYS A 26 -7.180 -14.792 8.889 1.00 75.13 H new ATOM 0 HB2 LYS A 26 -4.727 -14.130 8.752 1.00 52.35 H new ATOM 0 HB3 LYS A 26 -5.775 -13.444 7.527 1.00 52.35 H new ATOM 0 HG2 LYS A 26 -5.934 -11.353 8.972 1.00 4.42 H new ATOM 0 HG3 LYS A 26 -4.694 -12.048 9.996 1.00 4.42 H new ATOM 0 HD2 LYS A 26 -3.062 -12.002 8.257 1.00 73.43 H new ATOM 0 HD3 LYS A 26 -4.271 -11.786 7.007 1.00 73.43 H new ATOM 0 HE2 LYS A 26 -4.722 -9.521 7.696 1.00 2.54 H new ATOM 0 HE3 LYS A 26 -3.824 -9.721 9.188 1.00 2.54 H new ATOM 0 HZ1 LYS A 26 -2.545 -8.500 7.552 1.00 52.24 H new ATOM 0 HZ2 LYS A 26 -1.786 -9.979 7.894 1.00 52.24 H new ATOM 0 HZ3 LYS A 26 -2.656 -9.786 6.449 1.00 52.24 H new ATOM 390 N GLY A 27 -6.071 -13.258 11.604 1.00 33.50 N ATOM 391 CA GLY A 27 -5.677 -13.496 12.980 1.00 23.32 C ATOM 392 C GLY A 27 -4.592 -12.545 13.445 1.00 13.31 C ATOM 393 O GLY A 27 -4.351 -11.514 12.816 1.00 5.12 O ATOM 0 H GLY A 27 -6.096 -12.276 11.329 1.00 33.50 H new ATOM 0 HA2 GLY A 27 -6.548 -13.393 13.627 1.00 23.32 H new ATOM 0 HA3 GLY A 27 -5.324 -14.522 13.081 1.00 23.32 H new ATOM 397 N ILE A 28 -3.939 -12.889 14.550 1.00 61.04 N ATOM 398 CA ILE A 28 -2.875 -12.057 15.098 1.00 70.10 C ATOM 399 C ILE A 28 -1.796 -11.786 14.055 1.00 54.31 C ATOM 400 O ILE A 28 -1.287 -12.708 13.418 1.00 22.14 O ATOM 401 CB ILE A 28 -2.227 -12.713 16.332 1.00 41.33 C ATOM 402 CG1 ILE A 28 -1.002 -11.911 16.778 1.00 72.51 C ATOM 403 CG2 ILE A 28 -1.842 -14.152 16.026 1.00 60.45 C ATOM 404 CD1 ILE A 28 0.301 -12.438 16.219 1.00 30.41 C ATOM 0 H ILE A 28 -4.128 -13.738 15.083 1.00 61.04 H new ATOM 0 HA ILE A 28 -3.334 -11.114 15.396 1.00 70.10 H new ATOM 0 HB ILE A 28 -2.952 -12.717 17.146 1.00 41.33 H new ATOM 0 HG12 ILE A 28 -1.126 -10.873 16.471 1.00 72.51 H new ATOM 0 HG13 ILE A 28 -0.950 -11.918 17.867 1.00 72.51 H new ATOM 0 HG21 ILE A 28 -1.385 -14.602 16.908 1.00 60.45 H new ATOM 0 HG22 ILE A 28 -2.733 -14.716 15.751 1.00 60.45 H new ATOM 0 HG23 ILE A 28 -1.131 -14.171 15.200 1.00 60.45 H new ATOM 0 HD11 ILE A 28 1.126 -11.822 16.576 1.00 30.41 H new ATOM 0 HD12 ILE A 28 0.448 -13.467 16.547 1.00 30.41 H new ATOM 0 HD13 ILE A 28 0.269 -12.406 15.130 1.00 30.41 H new ATOM 416 N VAL A 29 -1.451 -10.513 13.886 1.00 72.23 N ATOM 417 CA VAL A 29 -0.430 -10.120 12.922 1.00 54.51 C ATOM 418 C VAL A 29 0.279 -8.844 13.363 1.00 61.31 C ATOM 419 O VAL A 29 -0.341 -7.934 13.913 1.00 73.04 O ATOM 420 CB VAL A 29 -1.035 -9.900 11.522 1.00 1.14 C ATOM 421 CG1 VAL A 29 0.009 -9.332 10.573 1.00 61.32 C ATOM 422 CG2 VAL A 29 -1.610 -11.200 10.981 1.00 65.03 C ATOM 0 H VAL A 29 -1.863 -9.737 14.404 1.00 72.23 H new ATOM 0 HA VAL A 29 0.291 -10.936 12.874 1.00 54.51 H new ATOM 0 HB VAL A 29 -1.847 -9.177 11.604 1.00 1.14 H new ATOM 0 HG11 VAL A 29 -0.436 -9.183 9.589 1.00 61.32 H new ATOM 0 HG12 VAL A 29 0.368 -8.377 10.957 1.00 61.32 H new ATOM 0 HG13 VAL A 29 0.844 -10.028 10.492 1.00 61.32 H new ATOM 0 HG21 VAL A 29 -2.033 -11.027 9.992 1.00 65.03 H new ATOM 0 HG22 VAL A 29 -0.819 -11.947 10.912 1.00 65.03 H new ATOM 0 HG23 VAL A 29 -2.390 -11.560 11.652 1.00 65.03 H new ATOM 432 N VAL A 30 1.584 -8.785 13.118 1.00 43.32 N ATOM 433 CA VAL A 30 2.379 -7.620 13.488 1.00 43.10 C ATOM 434 C VAL A 30 2.822 -6.842 12.254 1.00 61.11 C ATOM 435 O VAL A 30 3.195 -7.429 11.238 1.00 43.52 O ATOM 436 CB VAL A 30 3.624 -8.025 14.300 1.00 51.00 C ATOM 437 CG1 VAL A 30 4.510 -8.958 13.489 1.00 45.30 C ATOM 438 CG2 VAL A 30 4.397 -6.791 14.741 1.00 74.01 C ATOM 0 H VAL A 30 2.113 -9.530 12.665 1.00 43.32 H new ATOM 0 HA VAL A 30 1.742 -6.986 14.105 1.00 43.10 H new ATOM 0 HB VAL A 30 3.297 -8.558 15.192 1.00 51.00 H new ATOM 0 HG11 VAL A 30 5.384 -9.233 14.079 1.00 45.30 H new ATOM 0 HG12 VAL A 30 3.950 -9.856 13.229 1.00 45.30 H new ATOM 0 HG13 VAL A 30 4.831 -8.454 12.578 1.00 45.30 H new ATOM 0 HG21 VAL A 30 5.273 -7.096 15.313 1.00 74.01 H new ATOM 0 HG22 VAL A 30 4.715 -6.228 13.864 1.00 74.01 H new ATOM 0 HG23 VAL A 30 3.758 -6.164 15.363 1.00 74.01 H new ATOM 448 N VAL A 31 2.779 -5.517 12.349 1.00 12.12 N ATOM 449 CA VAL A 31 3.177 -4.657 11.241 1.00 22.31 C ATOM 450 C VAL A 31 3.724 -3.327 11.747 1.00 62.14 C ATOM 451 O VAL A 31 3.216 -2.763 12.716 1.00 3.32 O ATOM 452 CB VAL A 31 1.997 -4.386 10.289 1.00 63.01 C ATOM 453 CG1 VAL A 31 1.695 -5.618 9.449 1.00 15.32 C ATOM 454 CG2 VAL A 31 0.769 -3.951 11.074 1.00 41.53 C ATOM 0 H VAL A 31 2.472 -5.015 13.183 1.00 12.12 H new ATOM 0 HA VAL A 31 3.960 -5.185 10.696 1.00 22.31 H new ATOM 0 HB VAL A 31 2.275 -3.576 9.615 1.00 63.01 H new ATOM 0 HG11 VAL A 31 0.859 -5.408 8.782 1.00 15.32 H new ATOM 0 HG12 VAL A 31 2.573 -5.880 8.858 1.00 15.32 H new ATOM 0 HG13 VAL A 31 1.437 -6.450 10.104 1.00 15.32 H new ATOM 0 HG21 VAL A 31 -0.055 -3.764 10.386 1.00 41.53 H new ATOM 0 HG22 VAL A 31 0.486 -4.738 11.773 1.00 41.53 H new ATOM 0 HG23 VAL A 31 0.995 -3.039 11.627 1.00 41.53 H new ATOM 464 N HIS A 32 4.763 -2.830 11.083 1.00 62.11 N ATOM 465 CA HIS A 32 5.379 -1.564 11.464 1.00 24.22 C ATOM 466 C HIS A 32 4.951 -0.445 10.520 1.00 35.02 C ATOM 467 O HIS A 32 4.749 -0.669 9.327 1.00 3.43 O ATOM 468 CB HIS A 32 6.903 -1.693 11.462 1.00 71.30 C ATOM 469 CG HIS A 32 7.483 -1.924 10.100 1.00 15.33 C ATOM 470 ND1 HIS A 32 7.496 -3.159 9.487 1.00 54.41 N ATOM 471 CD2 HIS A 32 8.070 -1.068 9.232 1.00 50.42 C ATOM 472 CE1 HIS A 32 8.068 -3.053 8.301 1.00 53.41 C ATOM 473 NE2 HIS A 32 8.425 -1.794 8.122 1.00 52.35 N ATOM 0 H HIS A 32 5.196 -3.285 10.279 1.00 62.11 H new ATOM 0 HA HIS A 32 5.044 -1.314 12.471 1.00 24.22 H new ATOM 0 HB2 HIS A 32 7.337 -0.786 11.884 1.00 71.30 H new ATOM 0 HB3 HIS A 32 7.191 -2.517 12.115 1.00 71.30 H new ATOM 0 HD2 HIS A 32 8.230 -0.011 9.384 1.00 50.42 H new ATOM 0 HE1 HIS A 32 8.218 -3.859 7.598 1.00 53.41 H new ATOM 0 HE2 HIS A 32 8.889 -1.422 7.294 1.00 52.35 H new ATOM 481 N GLY A 33 4.812 0.761 11.064 1.00 73.44 N ATOM 482 CA GLY A 33 4.407 1.896 10.256 1.00 54.21 C ATOM 483 C GLY A 33 3.108 2.514 10.734 1.00 33.03 C ATOM 484 O GLY A 33 2.206 1.809 11.186 1.00 41.22 O ATOM 0 H GLY A 33 4.973 0.971 12.049 1.00 73.44 H new ATOM 0 HA2 GLY A 33 5.193 2.651 10.275 1.00 54.21 H new ATOM 0 HA3 GLY A 33 4.295 1.578 9.219 1.00 54.21 H new ATOM 488 N GLY A 34 3.012 3.837 10.637 1.00 72.42 N ATOM 489 CA GLY A 34 1.811 4.527 11.069 1.00 53.22 C ATOM 490 C GLY A 34 0.567 4.024 10.363 1.00 42.42 C ATOM 491 O GLY A 34 -0.453 3.760 10.999 1.00 32.23 O ATOM 0 H GLY A 34 3.745 4.443 10.267 1.00 72.42 H new ATOM 0 HA2 GLY A 34 1.690 4.401 12.145 1.00 53.22 H new ATOM 0 HA3 GLY A 34 1.923 5.595 10.884 1.00 53.22 H new ATOM 495 N CYS A 35 0.650 3.893 9.043 1.00 1.51 N ATOM 496 CA CYS A 35 -0.477 3.421 8.249 1.00 54.44 C ATOM 497 C CYS A 35 -1.029 2.114 8.810 1.00 14.45 C ATOM 498 O CYS A 35 -2.243 1.923 8.887 1.00 4.24 O ATOM 499 CB CYS A 35 -0.055 3.225 6.791 1.00 24.44 C ATOM 500 SG CYS A 35 0.010 4.765 5.822 1.00 43.35 S ATOM 0 H CYS A 35 1.487 4.107 8.501 1.00 1.51 H new ATOM 0 HA CYS A 35 -1.262 4.176 8.295 1.00 54.44 H new ATOM 0 HB2 CYS A 35 0.927 2.753 6.769 1.00 24.44 H new ATOM 0 HB3 CYS A 35 -0.751 2.536 6.312 1.00 24.44 H new ATOM 505 N ALA A 36 -0.129 1.218 9.202 1.00 55.21 N ATOM 506 CA ALA A 36 -0.526 -0.069 9.759 1.00 64.33 C ATOM 507 C ALA A 36 -1.265 0.108 11.080 1.00 13.43 C ATOM 508 O ALA A 36 -2.163 -0.668 11.411 1.00 64.23 O ATOM 509 CB ALA A 36 0.694 -0.959 9.950 1.00 75.45 C ATOM 0 H ALA A 36 0.879 1.360 9.144 1.00 55.21 H new ATOM 0 HA ALA A 36 -1.206 -0.548 9.054 1.00 64.33 H new ATOM 0 HB1 ALA A 36 0.384 -1.917 10.367 1.00 75.45 H new ATOM 0 HB2 ALA A 36 1.180 -1.122 8.988 1.00 75.45 H new ATOM 0 HB3 ALA A 36 1.393 -0.476 10.632 1.00 75.45 H new ATOM 515 N LEU A 37 -0.883 1.134 11.833 1.00 15.03 N ATOM 516 CA LEU A 37 -1.511 1.413 13.120 1.00 5.55 C ATOM 517 C LEU A 37 -2.863 2.093 12.931 1.00 1.13 C ATOM 518 O LEU A 37 -3.863 1.684 13.522 1.00 65.23 O ATOM 519 CB LEU A 37 -0.598 2.296 13.974 1.00 51.45 C ATOM 520 CG LEU A 37 -0.982 2.432 15.447 1.00 13.53 C ATOM 521 CD1 LEU A 37 -0.648 1.158 16.206 1.00 24.31 C ATOM 522 CD2 LEU A 37 -0.280 3.628 16.073 1.00 4.25 C ATOM 0 H LEU A 37 -0.142 1.786 11.575 1.00 15.03 H new ATOM 0 HA LEU A 37 -1.671 0.464 13.631 1.00 5.55 H new ATOM 0 HB2 LEU A 37 0.415 1.897 13.919 1.00 51.45 H new ATOM 0 HB3 LEU A 37 -0.573 3.292 13.532 1.00 51.45 H new ATOM 0 HG LEU A 37 -2.058 2.595 15.508 1.00 13.53 H new ATOM 0 HD11 LEU A 37 -0.929 1.274 17.253 1.00 24.31 H new ATOM 0 HD12 LEU A 37 -1.198 0.322 15.773 1.00 24.31 H new ATOM 0 HD13 LEU A 37 0.422 0.963 16.137 1.00 24.31 H new ATOM 0 HD21 LEU A 37 -0.565 3.709 17.122 1.00 4.25 H new ATOM 0 HD22 LEU A 37 0.799 3.496 16.000 1.00 4.25 H new ATOM 0 HD23 LEU A 37 -0.571 4.537 15.546 1.00 4.25 H new ATOM 534 N SER A 38 -2.887 3.132 12.103 1.00 44.05 N ATOM 535 CA SER A 38 -4.116 3.870 11.836 1.00 21.33 C ATOM 536 C SER A 38 -5.242 2.922 11.434 1.00 20.15 C ATOM 537 O SER A 38 -6.330 2.953 12.009 1.00 34.51 O ATOM 538 CB SER A 38 -3.886 4.904 10.733 1.00 73.13 C ATOM 539 OG SER A 38 -4.753 6.014 10.886 1.00 54.32 O ATOM 0 H SER A 38 -2.069 3.482 11.605 1.00 44.05 H new ATOM 0 HA SER A 38 -4.407 4.385 12.751 1.00 21.33 H new ATOM 0 HB2 SER A 38 -2.850 5.242 10.757 1.00 73.13 H new ATOM 0 HB3 SER A 38 -4.048 4.443 9.759 1.00 73.13 H new ATOM 0 HG SER A 38 -4.585 6.661 10.170 1.00 54.32 H new ATOM 545 N LYS A 39 -4.972 2.080 10.443 1.00 71.31 N ATOM 546 CA LYS A 39 -5.960 1.121 9.963 1.00 70.24 C ATOM 547 C LYS A 39 -6.304 0.104 11.047 1.00 43.41 C ATOM 548 O LYS A 39 -7.476 -0.146 11.327 1.00 31.40 O ATOM 549 CB LYS A 39 -5.437 0.398 8.719 1.00 53.41 C ATOM 550 CG LYS A 39 -5.254 1.310 7.518 1.00 54.11 C ATOM 551 CD LYS A 39 -4.634 0.570 6.345 1.00 22.31 C ATOM 552 CE LYS A 39 -3.272 1.143 5.982 1.00 74.53 C ATOM 553 NZ LYS A 39 -2.913 0.861 4.564 1.00 3.23 N ATOM 0 H LYS A 39 -4.077 2.042 9.956 1.00 71.31 H new ATOM 0 HA LYS A 39 -6.865 1.670 9.704 1.00 70.24 H new ATOM 0 HB2 LYS A 39 -4.483 -0.072 8.956 1.00 53.41 H new ATOM 0 HB3 LYS A 39 -6.129 -0.401 8.456 1.00 53.41 H new ATOM 0 HG2 LYS A 39 -6.219 1.720 7.221 1.00 54.11 H new ATOM 0 HG3 LYS A 39 -4.620 2.153 7.793 1.00 54.11 H new ATOM 0 HD2 LYS A 39 -4.531 -0.486 6.593 1.00 22.31 H new ATOM 0 HD3 LYS A 39 -5.298 0.632 5.483 1.00 22.31 H new ATOM 0 HE2 LYS A 39 -3.275 2.220 6.149 1.00 74.53 H new ATOM 0 HE3 LYS A 39 -2.513 0.720 6.640 1.00 74.53 H new ATOM 0 HZ1 LYS A 39 -1.950 0.472 4.521 1.00 3.23 H new ATOM 0 HZ2 LYS A 39 -3.583 0.172 4.167 1.00 3.23 H new ATOM 0 HZ3 LYS A 39 -2.955 1.742 4.013 1.00 3.23 H new ATOM 567 N TYR A 40 -5.275 -0.476 11.654 1.00 21.23 N ATOM 568 CA TYR A 40 -5.469 -1.466 12.707 1.00 5.14 C ATOM 569 C TYR A 40 -6.301 -0.891 13.849 1.00 12.11 C ATOM 570 O TYR A 40 -6.972 -1.625 14.576 1.00 44.42 O ATOM 571 CB TYR A 40 -4.117 -1.947 13.239 1.00 52.21 C ATOM 572 CG TYR A 40 -3.503 -3.057 12.416 1.00 40.52 C ATOM 573 CD1 TYR A 40 -3.835 -3.220 11.076 1.00 3.43 C ATOM 574 CD2 TYR A 40 -2.592 -3.942 12.977 1.00 21.44 C ATOM 575 CE1 TYR A 40 -3.277 -4.232 10.320 1.00 23.44 C ATOM 576 CE2 TYR A 40 -2.028 -4.957 12.229 1.00 62.12 C ATOM 577 CZ TYR A 40 -2.373 -5.098 10.901 1.00 75.11 C ATOM 578 OH TYR A 40 -1.815 -6.109 10.152 1.00 2.52 O ATOM 0 H TYR A 40 -4.299 -0.278 11.435 1.00 21.23 H new ATOM 0 HA TYR A 40 -6.007 -2.313 12.280 1.00 5.14 H new ATOM 0 HB2 TYR A 40 -3.427 -1.104 13.269 1.00 52.21 H new ATOM 0 HB3 TYR A 40 -4.242 -2.293 14.265 1.00 52.21 H new ATOM 0 HD1 TYR A 40 -4.542 -2.543 10.618 1.00 3.43 H new ATOM 0 HD2 TYR A 40 -2.320 -3.835 14.017 1.00 21.44 H new ATOM 0 HE1 TYR A 40 -3.546 -4.345 9.280 1.00 23.44 H new ATOM 0 HE2 TYR A 40 -1.321 -5.636 12.681 1.00 62.12 H new ATOM 0 HH TYR A 40 -1.199 -6.628 10.710 1.00 2.52 H new ATOM 588 N LYS A 41 -6.254 0.428 14.001 1.00 51.33 N ATOM 589 CA LYS A 41 -7.004 1.105 15.052 1.00 54.43 C ATOM 590 C LYS A 41 -8.437 1.382 14.606 1.00 63.31 C ATOM 591 O LYS A 41 -9.341 1.511 15.432 1.00 61.52 O ATOM 592 CB LYS A 41 -6.316 2.418 15.434 1.00 61.32 C ATOM 593 CG LYS A 41 -6.955 3.117 16.621 1.00 74.12 C ATOM 594 CD LYS A 41 -6.060 4.214 17.170 1.00 3.44 C ATOM 595 CE LYS A 41 -5.384 3.787 18.464 1.00 30.32 C ATOM 596 NZ LYS A 41 -4.112 4.525 18.696 1.00 0.41 N ATOM 0 H LYS A 41 -5.704 1.050 13.409 1.00 51.33 H new ATOM 0 HA LYS A 41 -7.032 0.450 15.923 1.00 54.43 H new ATOM 0 HB2 LYS A 41 -5.269 2.217 15.662 1.00 61.32 H new ATOM 0 HB3 LYS A 41 -6.332 3.090 14.576 1.00 61.32 H new ATOM 0 HG2 LYS A 41 -7.912 3.543 16.321 1.00 74.12 H new ATOM 0 HG3 LYS A 41 -7.162 2.389 17.405 1.00 74.12 H new ATOM 0 HD2 LYS A 41 -5.302 4.471 16.430 1.00 3.44 H new ATOM 0 HD3 LYS A 41 -6.651 5.113 17.346 1.00 3.44 H new ATOM 0 HE2 LYS A 41 -6.061 3.959 19.301 1.00 30.32 H new ATOM 0 HE3 LYS A 41 -5.182 2.716 18.432 1.00 30.32 H new ATOM 0 HZ1 LYS A 41 -3.683 4.205 19.588 1.00 0.41 H new ATOM 0 HZ2 LYS A 41 -3.456 4.341 17.910 1.00 0.41 H new ATOM 0 HZ3 LYS A 41 -4.308 5.545 18.752 1.00 0.41 H new ATOM 610 N CYS A 42 -8.637 1.470 13.295 1.00 10.33 N ATOM 611 CA CYS A 42 -9.959 1.730 12.739 1.00 13.01 C ATOM 612 C CYS A 42 -10.793 0.452 12.698 1.00 2.42 C ATOM 613 O CYS A 42 -11.977 0.462 13.033 1.00 70.22 O ATOM 614 CB CYS A 42 -9.837 2.318 11.332 1.00 72.43 C ATOM 615 SG CYS A 42 -10.875 1.487 10.086 1.00 33.35 S ATOM 0 H CYS A 42 -7.900 1.365 12.598 1.00 10.33 H new ATOM 0 HA CYS A 42 -10.462 2.451 13.384 1.00 13.01 H new ATOM 0 HB2 CYS A 42 -10.105 3.374 11.367 1.00 72.43 H new ATOM 0 HB3 CYS A 42 -8.795 2.264 11.016 1.00 72.43 H new ATOM 620 N GLN A 43 -10.165 -0.644 12.286 1.00 21.21 N ATOM 621 CA GLN A 43 -10.849 -1.929 12.201 1.00 22.22 C ATOM 622 C GLN A 43 -11.409 -2.338 13.559 1.00 20.54 C ATOM 623 O GLN A 43 -12.547 -2.794 13.660 1.00 32.13 O ATOM 624 CB GLN A 43 -9.893 -3.006 11.685 1.00 72.21 C ATOM 625 CG GLN A 43 -8.518 -2.960 12.331 1.00 0.11 C ATOM 626 CD GLN A 43 -8.176 -4.240 13.067 1.00 24.22 C ATOM 627 OE1 GLN A 43 -7.704 -4.209 14.204 1.00 35.24 O ATOM 628 NE2 GLN A 43 -8.411 -5.376 12.421 1.00 74.10 N ATOM 0 H GLN A 43 -9.184 -0.668 12.006 1.00 21.21 H new ATOM 0 HA GLN A 43 -11.679 -1.825 11.502 1.00 22.22 H new ATOM 0 HB2 GLN A 43 -10.335 -3.987 11.861 1.00 72.21 H new ATOM 0 HB3 GLN A 43 -9.782 -2.895 10.606 1.00 72.21 H new ATOM 0 HG2 GLN A 43 -7.766 -2.775 11.564 1.00 0.11 H new ATOM 0 HG3 GLN A 43 -8.476 -2.123 13.027 1.00 0.11 H new ATOM 0 HE21 GLN A 43 -8.803 -5.356 11.480 1.00 74.10 H new ATOM 0 HE22 GLN A 43 -8.199 -6.269 12.866 1.00 74.10 H new ATOM 637 N ASN A 44 -10.601 -2.173 14.602 1.00 41.14 N ATOM 638 CA ASN A 44 -11.016 -2.526 15.954 1.00 20.33 C ATOM 639 C ASN A 44 -10.392 -1.584 16.979 1.00 44.44 C ATOM 640 O ASN A 44 -9.414 -1.915 17.649 1.00 22.12 O ATOM 641 CB ASN A 44 -10.624 -3.971 16.269 1.00 32.42 C ATOM 642 CG ASN A 44 -11.607 -4.975 15.697 1.00 43.34 C ATOM 643 OD1 ASN A 44 -11.255 -5.784 14.838 1.00 52.10 O ATOM 644 ND2 ASN A 44 -12.846 -4.926 16.171 1.00 51.42 N ATOM 0 H ASN A 44 -9.655 -1.797 14.536 1.00 41.14 H new ATOM 0 HA ASN A 44 -12.100 -2.429 16.011 1.00 20.33 H new ATOM 0 HB2 ASN A 44 -9.630 -4.171 15.868 1.00 32.42 H new ATOM 0 HB3 ASN A 44 -10.564 -4.101 17.350 1.00 32.42 H new ATOM 0 HD21 ASN A 44 -13.551 -5.576 15.823 1.00 51.42 H new ATOM 0 HD22 ASN A 44 -13.093 -4.239 16.883 1.00 51.42 H new ATOM 651 N PRO A 45 -10.969 -0.380 17.104 1.00 54.41 N ATOM 652 CA PRO A 45 -10.487 0.636 18.045 1.00 33.31 C ATOM 653 C PRO A 45 -10.748 0.250 19.497 1.00 14.52 C ATOM 654 O PRO A 45 -10.273 0.912 20.419 1.00 33.34 O ATOM 655 CB PRO A 45 -11.295 1.880 17.668 1.00 3.45 C ATOM 656 CG PRO A 45 -12.538 1.350 17.041 1.00 3.13 C ATOM 657 CD PRO A 45 -12.138 0.083 16.337 1.00 51.22 C ATOM 0 HA PRO A 45 -9.408 0.776 17.978 1.00 33.31 H new ATOM 0 HB2 PRO A 45 -11.522 2.486 18.546 1.00 3.45 H new ATOM 0 HB3 PRO A 45 -10.743 2.516 16.976 1.00 3.45 H new ATOM 0 HG2 PRO A 45 -13.302 1.154 17.793 1.00 3.13 H new ATOM 0 HG3 PRO A 45 -12.959 2.070 16.339 1.00 3.13 H new ATOM 0 HD2 PRO A 45 -12.942 -0.653 16.347 1.00 51.22 H new ATOM 0 HD3 PRO A 45 -11.886 0.266 15.292 1.00 51.22 H new ATOM 665 N ASN A 46 -11.506 -0.824 19.693 1.00 53.34 N ATOM 666 CA ASN A 46 -11.831 -1.297 21.034 1.00 45.35 C ATOM 667 C ASN A 46 -10.936 -2.468 21.428 1.00 33.21 C ATOM 668 O ASN A 46 -10.795 -2.785 22.610 1.00 75.43 O ATOM 669 CB ASN A 46 -13.300 -1.715 21.108 1.00 54.11 C ATOM 670 CG ASN A 46 -13.613 -2.892 20.204 1.00 51.41 C ATOM 671 OD1 ASN A 46 -13.381 -4.045 20.565 1.00 31.35 O ATOM 672 ND2 ASN A 46 -14.143 -2.604 19.020 1.00 24.05 N ATOM 0 H ASN A 46 -11.907 -1.383 18.940 1.00 53.34 H new ATOM 0 HA ASN A 46 -11.658 -0.479 21.733 1.00 45.35 H new ATOM 0 HB2 ASN A 46 -13.550 -1.974 22.137 1.00 54.11 H new ATOM 0 HB3 ASN A 46 -13.930 -0.870 20.830 1.00 54.11 H new ATOM 0 HD21 ASN A 46 -14.374 -3.354 18.369 1.00 24.05 H new ATOM 0 HD22 ASN A 46 -14.318 -1.633 18.762 1.00 24.05 H new ATOM 679 N HIS A 47 -10.333 -3.107 20.431 1.00 73.53 N ATOM 680 CA HIS A 47 -9.451 -4.244 20.673 1.00 12.53 C ATOM 681 C HIS A 47 -8.262 -3.833 21.536 1.00 23.22 C ATOM 682 O HIS A 47 -8.005 -2.646 21.731 1.00 53.42 O ATOM 683 CB HIS A 47 -8.958 -4.825 19.348 1.00 32.52 C ATOM 684 CG HIS A 47 -9.744 -6.014 18.886 1.00 14.34 C ATOM 685 ND1 HIS A 47 -11.075 -6.202 19.195 1.00 51.32 N ATOM 686 CD2 HIS A 47 -9.380 -7.078 18.133 1.00 54.41 C ATOM 687 CE1 HIS A 47 -11.495 -7.331 18.653 1.00 52.34 C ATOM 688 NE2 HIS A 47 -10.486 -7.881 18.002 1.00 31.43 N ATOM 0 H HIS A 47 -10.439 -2.857 19.448 1.00 73.53 H new ATOM 0 HA HIS A 47 -10.019 -5.007 21.206 1.00 12.53 H new ATOM 0 HB2 HIS A 47 -9.002 -4.051 18.582 1.00 32.52 H new ATOM 0 HB3 HIS A 47 -7.911 -5.110 19.453 1.00 32.52 H new ATOM 0 HD2 HIS A 47 -8.402 -7.261 17.713 1.00 54.41 H new ATOM 0 HE1 HIS A 47 -12.493 -7.735 18.729 1.00 52.34 H new ATOM 0 HE2 HIS A 47 -10.522 -8.760 17.486 1.00 31.43 H new ATOM 696 N GLU A 48 -7.540 -4.824 22.051 1.00 73.10 N ATOM 697 CA GLU A 48 -6.379 -4.565 22.894 1.00 14.33 C ATOM 698 C GLU A 48 -5.103 -5.080 22.236 1.00 23.32 C ATOM 699 O GLU A 48 -4.959 -6.277 21.985 1.00 32.12 O ATOM 700 CB GLU A 48 -6.560 -5.220 24.265 1.00 72.40 C ATOM 701 CG GLU A 48 -7.023 -6.666 24.192 1.00 41.20 C ATOM 702 CD GLU A 48 -6.157 -7.598 25.017 1.00 11.12 C ATOM 703 OE1 GLU A 48 -5.003 -7.849 24.613 1.00 22.42 O ATOM 704 OE2 GLU A 48 -6.635 -8.076 26.068 1.00 42.43 O ATOM 0 H GLU A 48 -7.739 -5.813 21.899 1.00 73.10 H new ATOM 0 HA GLU A 48 -6.290 -3.486 23.024 1.00 14.33 H new ATOM 0 HB2 GLU A 48 -5.615 -5.177 24.807 1.00 72.40 H new ATOM 0 HB3 GLU A 48 -7.284 -4.644 24.841 1.00 72.40 H new ATOM 0 HG2 GLU A 48 -8.054 -6.731 24.539 1.00 41.20 H new ATOM 0 HG3 GLU A 48 -7.015 -6.994 23.153 1.00 41.20 H new ATOM 711 N LYS A 49 -4.178 -4.168 21.958 1.00 25.03 N ATOM 712 CA LYS A 49 -2.912 -4.528 21.330 1.00 1.11 C ATOM 713 C LYS A 49 -2.118 -5.484 22.215 1.00 44.53 C ATOM 714 O LYS A 49 -2.357 -5.575 23.420 1.00 53.55 O ATOM 715 CB LYS A 49 -2.085 -3.272 21.046 1.00 24.12 C ATOM 716 CG LYS A 49 -1.195 -3.394 19.821 1.00 52.31 C ATOM 717 CD LYS A 49 -0.676 -2.038 19.372 1.00 73.02 C ATOM 718 CE LYS A 49 0.665 -1.715 20.011 1.00 4.03 C ATOM 719 NZ LYS A 49 0.576 -1.675 21.497 1.00 22.23 N ATOM 0 H LYS A 49 -4.281 -3.173 22.158 1.00 25.03 H new ATOM 0 HA LYS A 49 -3.132 -5.031 20.388 1.00 1.11 H new ATOM 0 HB2 LYS A 49 -2.759 -2.426 20.912 1.00 24.12 H new ATOM 0 HB3 LYS A 49 -1.465 -3.051 21.915 1.00 24.12 H new ATOM 0 HG2 LYS A 49 -0.354 -4.051 20.045 1.00 52.31 H new ATOM 0 HG3 LYS A 49 -1.754 -3.858 19.008 1.00 52.31 H new ATOM 0 HD2 LYS A 49 -0.575 -2.027 18.287 1.00 73.02 H new ATOM 0 HD3 LYS A 49 -1.400 -1.266 19.633 1.00 73.02 H new ATOM 0 HE2 LYS A 49 1.400 -2.462 19.711 1.00 4.03 H new ATOM 0 HE3 LYS A 49 1.021 -0.753 19.642 1.00 4.03 H new ATOM 0 HZ1 LYS A 49 1.362 -1.109 21.877 1.00 22.23 H new ATOM 0 HZ2 LYS A 49 -0.328 -1.246 21.779 1.00 22.23 H new ATOM 0 HZ3 LYS A 49 0.632 -2.642 21.874 1.00 22.23 H new ATOM 733 N LEU A 50 -1.171 -6.193 21.610 1.00 10.04 N ATOM 734 CA LEU A 50 -0.340 -7.141 22.344 1.00 63.10 C ATOM 735 C LEU A 50 1.116 -6.685 22.367 1.00 14.14 C ATOM 736 O LEU A 50 1.734 -6.495 21.321 1.00 23.11 O ATOM 737 CB LEU A 50 -0.440 -8.531 21.714 1.00 71.50 C ATOM 738 CG LEU A 50 -1.832 -8.957 21.244 1.00 2.34 C ATOM 739 CD1 LEU A 50 -1.752 -10.239 20.431 1.00 20.32 C ATOM 740 CD2 LEU A 50 -2.765 -9.134 22.433 1.00 23.15 C ATOM 0 H LEU A 50 -0.960 -6.129 20.614 1.00 10.04 H new ATOM 0 HA LEU A 50 -0.704 -7.186 23.370 1.00 63.10 H new ATOM 0 HB2 LEU A 50 0.237 -8.571 20.861 1.00 71.50 H new ATOM 0 HB3 LEU A 50 -0.083 -9.263 22.439 1.00 71.50 H new ATOM 0 HG LEU A 50 -2.235 -8.171 20.605 1.00 2.34 H new ATOM 0 HD11 LEU A 50 -2.752 -10.526 20.105 1.00 20.32 H new ATOM 0 HD12 LEU A 50 -1.119 -10.078 19.559 1.00 20.32 H new ATOM 0 HD13 LEU A 50 -1.328 -11.033 21.045 1.00 20.32 H new ATOM 0 HD21 LEU A 50 -3.751 -9.437 22.080 1.00 23.15 H new ATOM 0 HD22 LEU A 50 -2.366 -9.900 23.098 1.00 23.15 H new ATOM 0 HD23 LEU A 50 -2.847 -8.191 22.974 1.00 23.15 H new ATOM 752 N GLY A 51 1.657 -6.512 23.569 1.00 23.45 N ATOM 753 CA GLY A 51 3.036 -6.082 23.707 1.00 44.02 C ATOM 754 C GLY A 51 4.009 -7.245 23.714 1.00 13.14 C ATOM 755 O GLY A 51 4.176 -7.929 22.705 1.00 64.43 O ATOM 0 H GLY A 51 1.165 -6.662 24.450 1.00 23.45 H new ATOM 0 HA2 GLY A 51 3.287 -5.408 22.888 1.00 44.02 H new ATOM 0 HA3 GLY A 51 3.146 -5.515 24.632 1.00 44.02 H new ATOM 759 N TYR A 52 4.652 -7.468 24.855 1.00 61.43 N ATOM 760 CA TYR A 52 5.616 -8.554 24.988 1.00 3.02 C ATOM 761 C TYR A 52 4.907 -9.895 25.149 1.00 25.35 C ATOM 762 O TYR A 52 5.056 -10.572 26.168 1.00 52.22 O ATOM 763 CB TYR A 52 6.536 -8.303 26.185 1.00 72.34 C ATOM 764 CG TYR A 52 7.918 -8.894 26.020 1.00 33.45 C ATOM 765 CD1 TYR A 52 8.087 -10.212 25.613 1.00 40.14 C ATOM 766 CD2 TYR A 52 9.054 -8.136 26.274 1.00 31.21 C ATOM 767 CE1 TYR A 52 9.348 -10.757 25.462 1.00 54.31 C ATOM 768 CE2 TYR A 52 10.318 -8.672 26.125 1.00 63.13 C ATOM 769 CZ TYR A 52 10.460 -9.983 25.719 1.00 40.34 C ATOM 770 OH TYR A 52 11.718 -10.521 25.570 1.00 52.40 O ATOM 0 H TYR A 52 4.523 -6.912 25.700 1.00 61.43 H new ATOM 0 HA TYR A 52 6.215 -8.588 24.078 1.00 3.02 H new ATOM 0 HB2 TYR A 52 6.626 -7.228 26.345 1.00 72.34 H new ATOM 0 HB3 TYR A 52 6.076 -8.721 27.080 1.00 72.34 H new ATOM 0 HD1 TYR A 52 7.218 -10.821 25.411 1.00 40.14 H new ATOM 0 HD2 TYR A 52 8.947 -7.110 26.593 1.00 31.21 H new ATOM 0 HE1 TYR A 52 9.462 -11.783 25.145 1.00 54.31 H new ATOM 0 HE2 TYR A 52 11.191 -8.068 26.325 1.00 63.13 H new ATOM 0 HH TYR A 52 12.392 -9.844 25.789 1.00 52.40 H new ATOM 780 N THR A 53 4.136 -10.275 24.136 1.00 73.22 N ATOM 781 CA THR A 53 3.403 -11.535 24.163 1.00 12.43 C ATOM 782 C THR A 53 4.040 -12.562 23.234 1.00 13.24 C ATOM 783 O THR A 53 4.682 -12.206 22.246 1.00 5.21 O ATOM 784 CB THR A 53 1.930 -11.336 23.758 1.00 31.41 C ATOM 785 OG1 THR A 53 1.552 -9.967 23.939 1.00 61.02 O ATOM 786 CG2 THR A 53 1.017 -12.233 24.581 1.00 10.52 C ATOM 0 H THR A 53 4.003 -9.728 23.286 1.00 73.22 H new ATOM 0 HA THR A 53 3.444 -11.903 25.188 1.00 12.43 H new ATOM 0 HB THR A 53 1.826 -11.604 22.707 1.00 31.41 H new ATOM 0 HG1 THR A 53 0.716 -9.923 24.448 1.00 61.02 H new ATOM 0 HG21 THR A 53 -0.018 -12.075 24.278 1.00 10.52 H new ATOM 0 HG22 THR A 53 1.288 -13.276 24.418 1.00 10.52 H new ATOM 0 HG23 THR A 53 1.126 -11.991 25.638 1.00 10.52 H new ATOM 794 N HIS A 54 3.857 -13.838 23.557 1.00 31.30 N ATOM 795 CA HIS A 54 4.413 -14.918 22.750 1.00 63.24 C ATOM 796 C HIS A 54 3.892 -14.850 21.317 1.00 10.34 C ATOM 797 O HIS A 54 4.505 -15.390 20.398 1.00 65.12 O ATOM 798 CB HIS A 54 4.068 -16.274 23.366 1.00 22.10 C ATOM 799 CG HIS A 54 5.088 -16.763 24.348 1.00 43.13 C ATOM 800 ND1 HIS A 54 5.623 -18.033 24.307 1.00 25.15 N ATOM 801 CD2 HIS A 54 5.673 -16.143 25.400 1.00 73.23 C ATOM 802 CE1 HIS A 54 6.492 -18.174 25.293 1.00 35.23 C ATOM 803 NE2 HIS A 54 6.540 -17.041 25.971 1.00 63.42 N ATOM 0 H HIS A 54 3.328 -14.149 24.372 1.00 31.30 H new ATOM 0 HA HIS A 54 5.497 -14.802 22.730 1.00 63.24 H new ATOM 0 HB2 HIS A 54 3.101 -16.202 23.864 1.00 22.10 H new ATOM 0 HB3 HIS A 54 3.962 -17.010 22.569 1.00 22.10 H new ATOM 0 HD2 HIS A 54 5.491 -15.130 25.729 1.00 73.23 H new ATOM 0 HE1 HIS A 54 7.065 -19.064 25.508 1.00 35.23 H new ATOM 0 HE2 HIS A 54 7.126 -16.863 26.786 1.00 63.42 H new ATOM 811 N GLU A 55 2.756 -14.182 21.137 1.00 23.52 N ATOM 812 CA GLU A 55 2.153 -14.046 19.817 1.00 53.31 C ATOM 813 C GLU A 55 2.877 -12.984 18.995 1.00 42.41 C ATOM 814 O GLU A 55 2.699 -12.894 17.780 1.00 52.12 O ATOM 815 CB GLU A 55 0.671 -13.685 19.944 1.00 61.22 C ATOM 816 CG GLU A 55 -0.127 -14.675 20.776 1.00 2.44 C ATOM 817 CD GLU A 55 -1.409 -15.110 20.095 1.00 53.15 C ATOM 818 OE1 GLU A 55 -1.363 -16.078 19.307 1.00 23.43 O ATOM 819 OE2 GLU A 55 -2.459 -14.483 20.347 1.00 1.35 O ATOM 0 H GLU A 55 2.236 -13.728 21.888 1.00 23.52 H new ATOM 0 HA GLU A 55 2.244 -15.003 19.304 1.00 53.31 H new ATOM 0 HB2 GLU A 55 0.584 -12.695 20.391 1.00 61.22 H new ATOM 0 HB3 GLU A 55 0.234 -13.625 18.947 1.00 61.22 H new ATOM 0 HG2 GLU A 55 0.488 -15.552 20.979 1.00 2.44 H new ATOM 0 HG3 GLU A 55 -0.367 -14.224 21.739 1.00 2.44 H new ATOM 826 N CYS A 56 3.695 -12.180 19.667 1.00 61.14 N ATOM 827 CA CYS A 56 4.447 -11.123 19.001 1.00 55.02 C ATOM 828 C CYS A 56 5.797 -11.640 18.513 1.00 11.11 C ATOM 829 O CYS A 56 6.636 -10.869 18.049 1.00 62.12 O ATOM 830 CB CYS A 56 4.653 -9.940 19.949 1.00 21.43 C ATOM 831 SG CYS A 56 3.383 -8.643 19.807 1.00 14.42 S ATOM 0 H CYS A 56 3.854 -12.241 20.673 1.00 61.14 H new ATOM 0 HA CYS A 56 3.872 -10.791 18.137 1.00 55.02 H new ATOM 0 HB2 CYS A 56 4.667 -10.309 20.975 1.00 21.43 H new ATOM 0 HB3 CYS A 56 5.631 -9.499 19.755 1.00 21.43 H new ATOM 836 N GLU A 57 5.998 -12.949 18.622 1.00 34.53 N ATOM 837 CA GLU A 57 7.246 -13.569 18.193 1.00 40.31 C ATOM 838 C GLU A 57 7.591 -13.163 16.763 1.00 74.44 C ATOM 839 O GLU A 57 8.754 -12.935 16.435 1.00 5.02 O ATOM 840 CB GLU A 57 7.146 -15.092 18.293 1.00 63.30 C ATOM 841 CG GLU A 57 8.065 -15.695 19.342 1.00 3.23 C ATOM 842 CD GLU A 57 8.018 -17.210 19.358 1.00 30.42 C ATOM 843 OE1 GLU A 57 8.032 -17.816 18.267 1.00 73.54 O ATOM 844 OE2 GLU A 57 7.967 -17.790 20.463 1.00 25.13 O ATOM 0 H GLU A 57 5.313 -13.601 19.004 1.00 34.53 H new ATOM 0 HA GLU A 57 8.041 -13.221 18.853 1.00 40.31 H new ATOM 0 HB2 GLU A 57 6.116 -15.366 18.524 1.00 63.30 H new ATOM 0 HB3 GLU A 57 7.382 -15.528 17.322 1.00 63.30 H new ATOM 0 HG2 GLU A 57 9.088 -15.369 19.154 1.00 3.23 H new ATOM 0 HG3 GLU A 57 7.786 -15.316 20.325 1.00 3.23 H new ATOM 851 N GLU A 58 6.569 -13.077 15.916 1.00 64.42 N ATOM 852 CA GLU A 58 6.765 -12.701 14.521 1.00 75.34 C ATOM 853 C GLU A 58 7.259 -11.262 14.409 1.00 13.21 C ATOM 854 O GLU A 58 8.002 -10.919 13.490 1.00 31.01 O ATOM 855 CB GLU A 58 5.460 -12.866 13.738 1.00 64.45 C ATOM 856 CG GLU A 58 5.272 -14.257 13.156 1.00 73.32 C ATOM 857 CD GLU A 58 3.810 -14.635 13.008 1.00 5.24 C ATOM 858 OE1 GLU A 58 3.243 -15.200 13.967 1.00 44.42 O ATOM 859 OE2 GLU A 58 3.234 -14.365 11.934 1.00 41.42 O ATOM 0 H GLU A 58 5.599 -13.262 16.171 1.00 64.42 H new ATOM 0 HA GLU A 58 7.522 -13.360 14.096 1.00 75.34 H new ATOM 0 HB2 GLU A 58 4.620 -12.640 14.395 1.00 64.45 H new ATOM 0 HB3 GLU A 58 5.437 -12.136 12.929 1.00 64.45 H new ATOM 0 HG2 GLU A 58 5.757 -14.307 12.181 1.00 73.32 H new ATOM 0 HG3 GLU A 58 5.769 -14.985 13.797 1.00 73.32 H new ATOM 866 N ALA A 59 6.840 -10.424 15.352 1.00 54.14 N ATOM 867 CA ALA A 59 7.240 -9.022 15.361 1.00 70.42 C ATOM 868 C ALA A 59 8.758 -8.885 15.390 1.00 24.45 C ATOM 869 O ALA A 59 9.307 -7.865 14.973 1.00 61.34 O ATOM 870 CB ALA A 59 6.620 -8.304 16.550 1.00 30.23 C ATOM 0 H ALA A 59 6.224 -10.692 16.119 1.00 54.14 H new ATOM 0 HA ALA A 59 6.877 -8.560 14.443 1.00 70.42 H new ATOM 0 HB1 ALA A 59 6.927 -7.258 16.544 1.00 30.23 H new ATOM 0 HB2 ALA A 59 5.534 -8.363 16.485 1.00 30.23 H new ATOM 0 HB3 ALA A 59 6.954 -8.775 17.474 1.00 30.23 H new ATOM 876 N ILE A 60 9.431 -9.918 15.887 1.00 3.12 N ATOM 877 CA ILE A 60 10.887 -9.912 15.971 1.00 55.25 C ATOM 878 C ILE A 60 11.515 -9.718 14.595 1.00 41.41 C ATOM 879 O ILE A 60 12.396 -8.876 14.415 1.00 14.13 O ATOM 880 CB ILE A 60 11.421 -11.218 16.587 1.00 74.43 C ATOM 881 CG1 ILE A 60 10.822 -11.433 17.978 1.00 24.35 C ATOM 882 CG2 ILE A 60 12.940 -11.189 16.656 1.00 1.11 C ATOM 883 CD1 ILE A 60 11.187 -10.348 18.967 1.00 12.20 C ATOM 0 H ILE A 60 8.992 -10.769 16.237 1.00 3.12 H new ATOM 0 HA ILE A 60 11.163 -9.077 16.615 1.00 55.25 H new ATOM 0 HB ILE A 60 11.122 -12.051 15.951 1.00 74.43 H new ATOM 0 HG12 ILE A 60 9.737 -11.486 17.893 1.00 24.35 H new ATOM 0 HG13 ILE A 60 11.159 -12.395 18.365 1.00 24.35 H new ATOM 0 HG21 ILE A 60 13.302 -12.119 17.094 1.00 1.11 H new ATOM 0 HG22 ILE A 60 13.348 -11.078 15.651 1.00 1.11 H new ATOM 0 HG23 ILE A 60 13.260 -10.349 17.272 1.00 1.11 H new ATOM 0 HD11 ILE A 60 10.728 -10.565 19.931 1.00 12.20 H new ATOM 0 HD12 ILE A 60 12.270 -10.309 19.081 1.00 12.20 H new ATOM 0 HD13 ILE A 60 10.826 -9.386 18.602 1.00 12.20 H new ATOM 895 N LYS A 61 11.056 -10.501 13.625 1.00 50.22 N ATOM 896 CA LYS A 61 11.570 -10.414 12.263 1.00 31.30 C ATOM 897 C LYS A 61 10.860 -9.313 11.482 1.00 33.04 C ATOM 898 O LYS A 61 11.485 -8.578 10.720 1.00 42.30 O ATOM 899 CB LYS A 61 11.399 -11.755 11.545 1.00 15.21 C ATOM 900 CG LYS A 61 9.955 -12.220 11.462 1.00 21.23 C ATOM 901 CD LYS A 61 9.847 -13.591 10.815 1.00 43.43 C ATOM 902 CE LYS A 61 8.399 -14.040 10.700 1.00 72.33 C ATOM 903 NZ LYS A 61 8.279 -15.524 10.679 1.00 71.54 N ATOM 0 H LYS A 61 10.328 -11.204 13.757 1.00 50.22 H new ATOM 0 HA LYS A 61 12.631 -10.170 12.317 1.00 31.30 H new ATOM 0 HB2 LYS A 61 11.804 -11.672 10.536 1.00 15.21 H new ATOM 0 HB3 LYS A 61 11.987 -12.513 12.063 1.00 15.21 H new ATOM 0 HG2 LYS A 61 9.525 -12.254 12.463 1.00 21.23 H new ATOM 0 HG3 LYS A 61 9.372 -11.499 10.889 1.00 21.23 H new ATOM 0 HD2 LYS A 61 10.300 -13.564 9.824 1.00 43.43 H new ATOM 0 HD3 LYS A 61 10.409 -14.317 11.403 1.00 43.43 H new ATOM 0 HE2 LYS A 61 7.827 -13.641 11.538 1.00 72.33 H new ATOM 0 HE3 LYS A 61 7.962 -13.627 9.791 1.00 72.33 H new ATOM 0 HZ1 LYS A 61 7.277 -15.790 10.600 1.00 71.54 H new ATOM 0 HZ2 LYS A 61 8.803 -15.903 9.865 1.00 71.54 H new ATOM 0 HZ3 LYS A 61 8.673 -15.917 11.558 1.00 71.54 H new ATOM 917 N ASN A 62 9.550 -9.205 11.679 1.00 13.24 N ATOM 918 CA ASN A 62 8.755 -8.192 10.994 1.00 32.12 C ATOM 919 C ASN A 62 9.251 -6.790 11.333 1.00 12.25 C ATOM 920 O ASN A 62 9.212 -5.888 10.497 1.00 1.45 O ATOM 921 CB ASN A 62 7.279 -8.329 11.374 1.00 21.11 C ATOM 922 CG ASN A 62 6.354 -8.088 10.197 1.00 42.22 C ATOM 923 OD1 ASN A 62 5.722 -9.015 9.689 1.00 2.54 O ATOM 924 ND2 ASN A 62 6.271 -6.838 9.756 1.00 1.33 N ATOM 0 H ASN A 62 9.017 -9.806 12.307 1.00 13.24 H new ATOM 0 HA ASN A 62 8.863 -8.346 9.920 1.00 32.12 H new ATOM 0 HB2 ASN A 62 7.101 -9.327 11.774 1.00 21.11 H new ATOM 0 HB3 ASN A 62 7.044 -7.621 12.168 1.00 21.11 H new ATOM 0 HD21 ASN A 62 5.665 -6.615 8.966 1.00 1.33 H new ATOM 0 HD22 ASN A 62 6.813 -6.101 10.207 1.00 1.33 H new ATOM 931 N ALA A 63 9.717 -6.615 12.566 1.00 40.03 N ATOM 932 CA ALA A 63 10.223 -5.324 13.015 1.00 61.00 C ATOM 933 C ALA A 63 11.319 -4.811 12.087 1.00 24.24 C ATOM 934 O ALA A 63 11.924 -5.565 11.325 1.00 73.35 O ATOM 935 CB ALA A 63 10.742 -5.428 14.442 1.00 71.05 C ATOM 0 H ALA A 63 9.754 -7.351 13.271 1.00 40.03 H new ATOM 0 HA ALA A 63 9.400 -4.610 12.991 1.00 61.00 H new ATOM 0 HB1 ALA A 63 11.117 -4.457 14.765 1.00 71.05 H new ATOM 0 HB2 ALA A 63 9.933 -5.742 15.101 1.00 71.05 H new ATOM 0 HB3 ALA A 63 11.548 -6.160 14.483 1.00 71.05 H new