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 43 GLN : amide:sc= -1.81 K(o=-2.2,f=-3.3) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.418 K(o=-2.2,f=-2.8) 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= -0.993 K(o=-0.99,f=-4.8!) USER MOD Single : A 23 ASN : amide:sc= -1.97 K(o=-2,f=-16!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.11) USER MOD Single : A 38 SER OG : rot 87:sc= 1.04 USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 0.234 (180deg=0) 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 46 ASN : amide:sc= 0.0813 K(o=0.081,f=-1.5) USER MOD Single : A 47 HIS : no HD1:sc= -0.686 X(o=-0.69,f=-0.99) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.00487) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 54 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.017) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 6 -13.519 -4.121 8.543 1.00 63.42 N ATOM 66 CA ASP A 6 -13.402 -3.778 9.955 1.00 22.23 C ATOM 67 C ASP A 6 -12.972 -2.325 10.128 1.00 43.23 C ATOM 68 O ASP A 6 -13.166 -1.730 11.188 1.00 21.34 O ATOM 69 CB ASP A 6 -12.400 -4.705 10.646 1.00 11.10 C ATOM 70 CG ASP A 6 -12.902 -5.204 11.987 1.00 72.14 C ATOM 71 OD1 ASP A 6 -12.686 -4.505 12.999 1.00 33.31 O ATOM 72 OD2 ASP A 6 -13.512 -6.293 12.023 1.00 21.11 O ATOM 0 HA ASP A 6 -14.381 -3.905 10.416 1.00 22.23 H new ATOM 0 HB2 ASP A 6 -12.192 -5.557 9.999 1.00 11.10 H new ATOM 0 HB3 ASP A 6 -11.458 -4.176 10.788 1.00 11.10 H new ATOM 77 N CYS A 7 -12.385 -1.758 9.078 1.00 34.24 N ATOM 78 CA CYS A 7 -11.926 -0.375 9.113 1.00 62.21 C ATOM 79 C CYS A 7 -11.802 0.192 7.702 1.00 44.22 C ATOM 80 O CYS A 7 -11.384 -0.504 6.777 1.00 22.13 O ATOM 81 CB CYS A 7 -10.579 -0.281 9.833 1.00 60.24 C ATOM 82 SG CYS A 7 -9.810 1.368 9.758 1.00 4.41 S ATOM 0 H CYS A 7 -12.216 -2.236 8.193 1.00 34.24 H new ATOM 0 HA CYS A 7 -12.664 0.213 9.659 1.00 62.21 H new ATOM 0 HB2 CYS A 7 -10.717 -0.558 10.878 1.00 60.24 H new ATOM 0 HB3 CYS A 7 -9.895 -1.009 9.398 1.00 60.24 H new ATOM 87 N GLU A 8 -12.167 1.461 7.546 1.00 74.34 N ATOM 88 CA GLU A 8 -12.097 2.121 6.247 1.00 33.13 C ATOM 89 C GLU A 8 -10.918 3.087 6.191 1.00 2.55 C ATOM 90 O GLU A 8 -10.991 4.224 6.660 1.00 21.54 O ATOM 91 CB GLU A 8 -13.400 2.871 5.961 1.00 44.22 C ATOM 92 CG GLU A 8 -13.450 3.496 4.577 1.00 51.22 C ATOM 93 CD GLU A 8 -14.223 2.651 3.583 1.00 41.12 C ATOM 94 OE1 GLU A 8 -15.260 2.076 3.974 1.00 30.22 O ATOM 95 OE2 GLU A 8 -13.791 2.565 2.414 1.00 21.45 O ATOM 0 H GLU A 8 -12.514 2.052 8.302 1.00 74.34 H new ATOM 0 HA GLU A 8 -11.953 1.355 5.485 1.00 33.13 H new ATOM 0 HB2 GLU A 8 -14.238 2.182 6.070 1.00 44.22 H new ATOM 0 HB3 GLU A 8 -13.531 3.653 6.709 1.00 44.22 H new ATOM 0 HG2 GLU A 8 -13.909 4.482 4.644 1.00 51.22 H new ATOM 0 HG3 GLU A 8 -12.434 3.642 4.211 1.00 51.22 H new ATOM 102 N PRO A 9 -9.803 2.627 5.605 1.00 71.23 N ATOM 103 CA PRO A 9 -8.586 3.434 5.473 1.00 33.32 C ATOM 104 C PRO A 9 -8.754 4.578 4.479 1.00 30.14 C ATOM 105 O PRO A 9 -9.100 4.360 3.318 1.00 32.11 O ATOM 106 CB PRO A 9 -7.549 2.430 4.963 1.00 3.34 C ATOM 107 CG PRO A 9 -8.346 1.379 4.272 1.00 52.00 C ATOM 108 CD PRO A 9 -9.645 1.283 5.024 1.00 61.12 C ATOM 0 HA PRO A 9 -8.310 3.913 6.413 1.00 33.32 H new ATOM 0 HB2 PRO A 9 -6.842 2.903 4.281 1.00 3.34 H new ATOM 0 HB3 PRO A 9 -6.968 2.010 5.784 1.00 3.34 H new ATOM 0 HG2 PRO A 9 -8.518 1.643 3.228 1.00 52.00 H new ATOM 0 HG3 PRO A 9 -7.820 0.424 4.277 1.00 52.00 H new ATOM 0 HD2 PRO A 9 -10.474 1.031 4.363 1.00 61.12 H new ATOM 0 HD3 PRO A 9 -9.607 0.514 5.795 1.00 61.12 H new ATOM 116 N LYS A 10 -8.506 5.798 4.942 1.00 10.51 N ATOM 117 CA LYS A 10 -8.628 6.978 4.094 1.00 44.21 C ATOM 118 C LYS A 10 -7.891 8.166 4.705 1.00 61.11 C ATOM 119 O LYS A 10 -8.227 9.321 4.440 1.00 65.05 O ATOM 120 CB LYS A 10 -10.102 7.332 3.885 1.00 61.42 C ATOM 121 CG LYS A 10 -10.428 7.768 2.467 1.00 45.20 C ATOM 122 CD LYS A 10 -10.339 6.606 1.492 1.00 43.55 C ATOM 123 CE LYS A 10 -10.307 7.090 0.050 1.00 41.41 C ATOM 124 NZ LYS A 10 -10.447 5.966 -0.916 1.00 24.51 N ATOM 0 H LYS A 10 -8.219 5.996 5.901 1.00 10.51 H new ATOM 0 HA LYS A 10 -8.175 6.749 3.129 1.00 44.21 H new ATOM 0 HB2 LYS A 10 -10.714 6.467 4.140 1.00 61.42 H new ATOM 0 HB3 LYS A 10 -10.376 8.131 4.574 1.00 61.42 H new ATOM 0 HG2 LYS A 10 -11.431 8.193 2.438 1.00 45.20 H new ATOM 0 HG3 LYS A 10 -9.739 8.555 2.160 1.00 45.20 H new ATOM 0 HD2 LYS A 10 -9.443 6.022 1.701 1.00 43.55 H new ATOM 0 HD3 LYS A 10 -11.192 5.943 1.636 1.00 43.55 H new ATOM 0 HE2 LYS A 10 -11.111 7.808 -0.110 1.00 41.41 H new ATOM 0 HE3 LYS A 10 -9.370 7.614 -0.136 1.00 41.41 H new ATOM 0 HZ1 LYS A 10 -10.420 6.337 -1.887 1.00 24.51 H new ATOM 0 HZ2 LYS A 10 -9.666 5.293 -0.781 1.00 24.51 H new ATOM 0 HZ3 LYS A 10 -11.353 5.481 -0.756 1.00 24.51 H new ATOM 138 N LEU A 11 -6.885 7.875 5.523 1.00 51.25 N ATOM 139 CA LEU A 11 -6.099 8.920 6.170 1.00 32.32 C ATOM 140 C LEU A 11 -5.021 8.315 7.063 1.00 4.02 C ATOM 141 O LEU A 11 -5.311 7.796 8.142 1.00 51.53 O ATOM 142 CB LEU A 11 -7.009 9.832 6.996 1.00 64.34 C ATOM 143 CG LEU A 11 -6.931 11.325 6.675 1.00 20.13 C ATOM 144 CD1 LEU A 11 -8.288 11.984 6.869 1.00 22.33 C ATOM 145 CD2 LEU A 11 -5.879 12.002 7.541 1.00 4.10 C ATOM 0 H LEU A 11 -6.595 6.925 5.754 1.00 51.25 H new ATOM 0 HA LEU A 11 -5.613 9.509 5.393 1.00 32.32 H new ATOM 0 HB2 LEU A 11 -8.040 9.504 6.859 1.00 64.34 H new ATOM 0 HB3 LEU A 11 -6.768 9.694 8.050 1.00 64.34 H new ATOM 0 HG LEU A 11 -6.641 11.438 5.630 1.00 20.13 H new ATOM 0 HD11 LEU A 11 -8.213 13.046 6.636 1.00 22.33 H new ATOM 0 HD12 LEU A 11 -9.017 11.518 6.206 1.00 22.33 H new ATOM 0 HD13 LEU A 11 -8.608 11.861 7.904 1.00 22.33 H new ATOM 0 HD21 LEU A 11 -5.837 13.064 7.299 1.00 4.10 H new ATOM 0 HD22 LEU A 11 -6.139 11.879 8.592 1.00 4.10 H new ATOM 0 HD23 LEU A 11 -4.906 11.548 7.353 1.00 4.10 H new ATOM 157 N CYS A 12 -3.774 8.387 6.608 1.00 32.22 N ATOM 158 CA CYS A 12 -2.651 7.849 7.366 1.00 61.54 C ATOM 159 C CYS A 12 -1.330 8.427 6.865 1.00 14.13 C ATOM 160 O CYS A 12 -1.276 9.060 5.810 1.00 33.12 O ATOM 161 CB CYS A 12 -2.623 6.322 7.262 1.00 54.30 C ATOM 162 SG CYS A 12 -2.483 5.695 5.557 1.00 2.24 S ATOM 0 H CYS A 12 -3.516 8.813 5.718 1.00 32.22 H new ATOM 0 HA CYS A 12 -2.780 8.134 8.410 1.00 61.54 H new ATOM 0 HB2 CYS A 12 -1.784 5.944 7.847 1.00 54.30 H new ATOM 0 HB3 CYS A 12 -3.531 5.921 7.712 1.00 54.30 H new ATOM 167 N THR A 13 -0.266 8.205 7.630 1.00 1.43 N ATOM 168 CA THR A 13 1.054 8.705 7.266 1.00 21.34 C ATOM 169 C THR A 13 2.079 7.577 7.235 1.00 21.22 C ATOM 170 O THR A 13 2.030 6.658 8.053 1.00 40.33 O ATOM 171 CB THR A 13 1.533 9.792 8.247 1.00 65.23 C ATOM 172 OG1 THR A 13 0.515 10.060 9.217 1.00 22.00 O ATOM 173 CG2 THR A 13 1.884 11.073 7.505 1.00 62.21 C ATOM 0 H THR A 13 -0.292 7.682 8.505 1.00 1.43 H new ATOM 0 HA THR A 13 0.965 9.139 6.270 1.00 21.34 H new ATOM 0 HB THR A 13 2.427 9.426 8.752 1.00 65.23 H new ATOM 0 HG1 THR A 13 0.828 10.751 9.838 1.00 22.00 H new ATOM 0 HG21 THR A 13 2.220 11.826 8.218 1.00 62.21 H new ATOM 0 HG22 THR A 13 2.680 10.872 6.788 1.00 62.21 H new ATOM 0 HG23 THR A 13 1.004 11.440 6.977 1.00 62.21 H new ATOM 181 N MET A 14 3.007 7.653 6.287 1.00 4.12 N ATOM 182 CA MET A 14 4.046 6.638 6.152 1.00 51.34 C ATOM 183 C MET A 14 4.978 6.650 7.359 1.00 63.02 C ATOM 184 O MET A 14 5.039 7.632 8.098 1.00 4.52 O ATOM 185 CB MET A 14 4.849 6.868 4.870 1.00 61.01 C ATOM 186 CG MET A 14 3.985 7.183 3.660 1.00 42.53 C ATOM 187 SD MET A 14 4.929 7.221 2.124 1.00 53.24 S ATOM 188 CE MET A 14 3.748 6.505 0.983 1.00 31.33 C ATOM 0 H MET A 14 3.061 8.406 5.601 1.00 4.12 H new ATOM 0 HA MET A 14 3.562 5.663 6.099 1.00 51.34 H new ATOM 0 HB2 MET A 14 5.548 7.689 5.031 1.00 61.01 H new ATOM 0 HB3 MET A 14 5.444 5.980 4.660 1.00 61.01 H new ATOM 0 HG2 MET A 14 3.195 6.436 3.578 1.00 42.53 H new ATOM 0 HG3 MET A 14 3.498 8.147 3.807 1.00 42.53 H new ATOM 0 HE1 MET A 14 4.186 6.461 -0.014 1.00 31.33 H new ATOM 0 HE2 MET A 14 3.490 5.498 1.311 1.00 31.33 H new ATOM 0 HE3 MET A 14 2.848 7.120 0.957 1.00 31.33 H new ATOM 198 N ASP A 15 5.702 5.553 7.552 1.00 32.14 N ATOM 199 CA ASP A 15 6.632 5.438 8.670 1.00 72.52 C ATOM 200 C ASP A 15 7.341 4.087 8.649 1.00 0.13 C ATOM 201 O ASP A 15 7.077 3.248 7.787 1.00 11.00 O ATOM 202 CB ASP A 15 5.893 5.620 9.997 1.00 61.53 C ATOM 203 CG ASP A 15 6.458 6.759 10.822 1.00 32.11 C ATOM 204 OD1 ASP A 15 7.697 6.904 10.863 1.00 43.13 O ATOM 205 OD2 ASP A 15 5.660 7.505 11.428 1.00 3.02 O ATOM 0 H ASP A 15 5.663 4.731 6.949 1.00 32.14 H new ATOM 0 HA ASP A 15 7.381 6.223 8.570 1.00 72.52 H new ATOM 0 HB2 ASP A 15 4.838 5.807 9.799 1.00 61.53 H new ATOM 0 HB3 ASP A 15 5.951 4.696 10.572 1.00 61.53 H new ATOM 210 N LEU A 16 8.243 3.884 9.603 1.00 1.01 N ATOM 211 CA LEU A 16 8.992 2.635 9.694 1.00 1.45 C ATOM 212 C LEU A 16 8.850 2.015 11.081 1.00 52.42 C ATOM 213 O LEU A 16 9.837 1.613 11.697 1.00 51.12 O ATOM 214 CB LEU A 16 10.469 2.880 9.382 1.00 63.12 C ATOM 215 CG LEU A 16 10.774 3.479 8.009 1.00 45.44 C ATOM 216 CD1 LEU A 16 12.145 4.138 8.006 1.00 23.13 C ATOM 217 CD2 LEU A 16 10.693 2.410 6.929 1.00 31.55 C ATOM 0 H LEU A 16 8.474 4.568 10.324 1.00 1.01 H new ATOM 0 HA LEU A 16 8.582 1.940 8.961 1.00 1.45 H new ATOM 0 HB2 LEU A 16 10.875 3.544 10.145 1.00 63.12 H new ATOM 0 HB3 LEU A 16 11.000 1.932 9.469 1.00 63.12 H new ATOM 0 HG LEU A 16 10.026 4.242 7.794 1.00 45.44 H new ATOM 0 HD11 LEU A 16 12.344 4.559 7.020 1.00 23.13 H new ATOM 0 HD12 LEU A 16 12.168 4.933 8.751 1.00 23.13 H new ATOM 0 HD13 LEU A 16 12.906 3.395 8.244 1.00 23.13 H new ATOM 0 HD21 LEU A 16 10.913 2.856 5.959 1.00 31.55 H new ATOM 0 HD22 LEU A 16 11.418 1.624 7.140 1.00 31.55 H new ATOM 0 HD23 LEU A 16 9.690 1.984 6.913 1.00 31.55 H new ATOM 229 N VAL A 17 7.614 1.939 11.566 1.00 44.44 N ATOM 230 CA VAL A 17 7.342 1.365 12.878 1.00 40.12 C ATOM 231 C VAL A 17 6.646 0.014 12.753 1.00 45.22 C ATOM 232 O VAL A 17 5.419 -0.083 12.762 1.00 22.33 O ATOM 233 CB VAL A 17 6.468 2.303 13.731 1.00 54.44 C ATOM 234 CG1 VAL A 17 6.321 1.759 15.143 1.00 12.34 C ATOM 235 CG2 VAL A 17 7.054 3.707 13.749 1.00 22.12 C ATOM 0 H VAL A 17 6.786 2.268 11.070 1.00 44.44 H new ATOM 0 HA VAL A 17 8.305 1.231 13.370 1.00 40.12 H new ATOM 0 HB VAL A 17 5.476 2.354 13.283 1.00 54.44 H new ATOM 0 HG11 VAL A 17 5.700 2.435 15.731 1.00 12.34 H new ATOM 0 HG12 VAL A 17 5.853 0.775 15.107 1.00 12.34 H new ATOM 0 HG13 VAL A 17 7.305 1.676 15.605 1.00 12.34 H new ATOM 0 HG21 VAL A 17 6.424 4.357 14.356 1.00 22.12 H new ATOM 0 HG22 VAL A 17 8.058 3.677 14.172 1.00 22.12 H new ATOM 0 HG23 VAL A 17 7.101 4.095 12.731 1.00 22.12 H new ATOM 245 N PRO A 18 7.448 -1.055 12.633 1.00 14.10 N ATOM 246 CA PRO A 18 6.931 -2.421 12.505 1.00 40.31 C ATOM 247 C PRO A 18 6.291 -2.922 13.795 1.00 24.12 C ATOM 248 O PRO A 18 6.967 -3.084 14.812 1.00 35.42 O ATOM 249 CB PRO A 18 8.179 -3.242 12.172 1.00 21.34 C ATOM 250 CG PRO A 18 9.311 -2.459 12.742 1.00 40.22 C ATOM 251 CD PRO A 18 8.919 -1.013 12.614 1.00 4.31 C ATOM 0 HA PRO A 18 6.145 -2.491 11.753 1.00 40.31 H new ATOM 0 HB2 PRO A 18 8.126 -4.238 12.611 1.00 21.34 H new ATOM 0 HB3 PRO A 18 8.291 -3.373 11.096 1.00 21.34 H new ATOM 0 HG2 PRO A 18 9.484 -2.726 13.785 1.00 40.22 H new ATOM 0 HG3 PRO A 18 10.236 -2.662 12.203 1.00 40.22 H new ATOM 0 HD2 PRO A 18 9.314 -0.415 13.435 1.00 4.31 H new ATOM 0 HD3 PRO A 18 9.297 -0.575 11.690 1.00 4.31 H new ATOM 259 N HIS A 19 4.986 -3.166 13.747 1.00 33.40 N ATOM 260 CA HIS A 19 4.255 -3.651 14.913 1.00 41.32 C ATOM 261 C HIS A 19 3.298 -4.774 14.526 1.00 22.40 C ATOM 262 O HIS A 19 2.927 -4.914 13.360 1.00 14.24 O ATOM 263 CB HIS A 19 3.479 -2.507 15.566 1.00 2.23 C ATOM 264 CG HIS A 19 4.189 -1.891 16.732 1.00 3.51 C ATOM 265 ND1 HIS A 19 5.547 -1.649 16.744 1.00 31.24 N ATOM 266 CD2 HIS A 19 3.722 -1.464 17.929 1.00 70.13 C ATOM 267 CE1 HIS A 19 5.884 -1.103 17.899 1.00 42.41 C ATOM 268 NE2 HIS A 19 4.795 -0.979 18.635 1.00 32.05 N ATOM 0 H HIS A 19 4.412 -3.036 12.914 1.00 33.40 H new ATOM 0 HA HIS A 19 4.979 -4.044 15.627 1.00 41.32 H new ATOM 0 HB2 HIS A 19 3.287 -1.736 14.819 1.00 2.23 H new ATOM 0 HB3 HIS A 19 2.509 -2.879 15.897 1.00 2.23 H new ATOM 0 HD1 HIS A 19 6.190 -1.859 15.981 1.00 31.24 H new ATOM 0 HD2 HIS A 19 2.696 -1.498 18.266 1.00 70.13 H new ATOM 0 HE1 HIS A 19 6.881 -0.808 18.191 1.00 42.41 H new ATOM 276 N CYS A 20 2.903 -5.574 15.511 1.00 25.21 N ATOM 277 CA CYS A 20 1.991 -6.686 15.275 1.00 62.53 C ATOM 278 C CYS A 20 0.570 -6.323 15.695 1.00 21.34 C ATOM 279 O CYS A 20 0.362 -5.668 16.716 1.00 13.54 O ATOM 280 CB CYS A 20 2.459 -7.928 16.037 1.00 50.11 C ATOM 281 SG CYS A 20 1.271 -9.308 16.010 1.00 33.42 S ATOM 0 H CYS A 20 3.201 -5.472 16.481 1.00 25.21 H new ATOM 0 HA CYS A 20 1.991 -6.902 14.207 1.00 62.53 H new ATOM 0 HB2 CYS A 20 3.404 -8.267 15.612 1.00 50.11 H new ATOM 0 HB3 CYS A 20 2.656 -7.653 17.073 1.00 50.11 H new ATOM 286 N PHE A 21 -0.405 -6.754 14.902 1.00 65.45 N ATOM 287 CA PHE A 21 -1.806 -6.475 15.190 1.00 12.45 C ATOM 288 C PHE A 21 -2.698 -7.620 14.721 1.00 64.43 C ATOM 289 O PHE A 21 -2.292 -8.440 13.896 1.00 64.12 O ATOM 290 CB PHE A 21 -2.237 -5.170 14.518 1.00 41.52 C ATOM 291 CG PHE A 21 -2.633 -4.096 15.491 1.00 75.14 C ATOM 292 CD1 PHE A 21 -3.818 -4.192 16.203 1.00 0.41 C ATOM 293 CD2 PHE A 21 -1.822 -2.991 15.692 1.00 20.33 C ATOM 294 CE1 PHE A 21 -4.186 -3.206 17.099 1.00 2.24 C ATOM 295 CE2 PHE A 21 -2.184 -2.003 16.587 1.00 13.45 C ATOM 296 CZ PHE A 21 -3.368 -2.109 17.291 1.00 72.30 C ATOM 0 H PHE A 21 -0.250 -7.299 14.054 1.00 65.45 H new ATOM 0 HA PHE A 21 -1.914 -6.373 16.270 1.00 12.45 H new ATOM 0 HB2 PHE A 21 -1.419 -4.803 13.897 1.00 41.52 H new ATOM 0 HB3 PHE A 21 -3.076 -5.373 13.853 1.00 41.52 H new ATOM 0 HD1 PHE A 21 -4.461 -5.047 16.056 1.00 0.41 H new ATOM 0 HD2 PHE A 21 -0.896 -2.901 15.143 1.00 20.33 H new ATOM 0 HE1 PHE A 21 -5.112 -3.293 17.648 1.00 2.24 H new ATOM 0 HE2 PHE A 21 -1.542 -1.148 16.736 1.00 13.45 H new ATOM 0 HZ PHE A 21 -3.653 -1.336 17.990 1.00 72.30 H new ATOM 306 N LEU A 22 -3.914 -7.671 15.252 1.00 72.32 N ATOM 307 CA LEU A 22 -4.865 -8.717 14.888 1.00 4.42 C ATOM 308 C LEU A 22 -5.782 -8.251 13.762 1.00 64.03 C ATOM 309 O LEU A 22 -6.423 -7.206 13.862 1.00 33.33 O ATOM 310 CB LEU A 22 -5.698 -9.121 16.105 1.00 31.34 C ATOM 311 CG LEU A 22 -5.639 -10.598 16.499 1.00 44.33 C ATOM 312 CD1 LEU A 22 -6.323 -11.458 15.448 1.00 61.11 C ATOM 313 CD2 LEU A 22 -4.196 -11.040 16.696 1.00 42.55 C ATOM 0 H LEU A 22 -4.266 -7.001 15.936 1.00 72.32 H new ATOM 0 HA LEU A 22 -4.301 -9.581 14.538 1.00 4.42 H new ATOM 0 HB2 LEU A 22 -5.372 -8.525 16.957 1.00 31.34 H new ATOM 0 HB3 LEU A 22 -6.738 -8.858 15.912 1.00 31.34 H new ATOM 0 HG LEU A 22 -6.169 -10.724 17.443 1.00 44.33 H new ATOM 0 HD11 LEU A 22 -6.271 -12.505 15.745 1.00 61.11 H new ATOM 0 HD12 LEU A 22 -7.367 -11.158 15.356 1.00 61.11 H new ATOM 0 HD13 LEU A 22 -5.822 -11.328 14.489 1.00 61.11 H new ATOM 0 HD21 LEU A 22 -4.173 -12.093 16.976 1.00 42.55 H new ATOM 0 HD22 LEU A 22 -3.642 -10.899 15.768 1.00 42.55 H new ATOM 0 HD23 LEU A 22 -3.738 -10.445 17.486 1.00 42.55 H new ATOM 325 N ASN A 23 -5.839 -9.035 12.690 1.00 32.21 N ATOM 326 CA ASN A 23 -6.679 -8.704 11.545 1.00 72.01 C ATOM 327 C ASN A 23 -7.781 -9.743 11.360 1.00 51.00 C ATOM 328 O ASN A 23 -7.522 -10.925 11.134 1.00 32.34 O ATOM 329 CB ASN A 23 -5.832 -8.611 10.274 1.00 21.14 C ATOM 330 CG ASN A 23 -6.648 -8.199 9.064 1.00 23.12 C ATOM 331 OD1 ASN A 23 -7.854 -7.974 9.162 1.00 11.03 O ATOM 332 ND2 ASN A 23 -5.991 -8.099 7.914 1.00 1.24 N ATOM 0 H ASN A 23 -5.314 -9.904 12.591 1.00 32.21 H new ATOM 0 HA ASN A 23 -7.144 -7.737 11.735 1.00 72.01 H new ATOM 0 HB2 ASN A 23 -5.028 -7.892 10.428 1.00 21.14 H new ATOM 0 HB3 ASN A 23 -5.364 -9.576 10.081 1.00 21.14 H new ATOM 0 HD21 ASN A 23 -6.487 -7.826 7.065 1.00 1.24 H new ATOM 0 HD22 ASN A 23 -4.991 -8.295 7.879 1.00 1.24 H new ATOM 339 N PRO A 24 -9.041 -9.293 11.457 1.00 61.02 N ATOM 340 CA PRO A 24 -10.208 -10.167 11.302 1.00 3.13 C ATOM 341 C PRO A 24 -10.386 -10.648 9.866 1.00 2.42 C ATOM 342 O PRO A 24 -11.228 -11.500 9.588 1.00 54.00 O ATOM 343 CB PRO A 24 -11.379 -9.272 11.716 1.00 45.33 C ATOM 344 CG PRO A 24 -10.903 -7.883 11.458 1.00 33.50 C ATOM 345 CD PRO A 24 -9.423 -7.896 11.724 1.00 74.30 C ATOM 0 HA PRO A 24 -10.118 -11.076 11.896 1.00 3.13 H new ATOM 0 HB2 PRO A 24 -12.274 -9.498 11.137 1.00 45.33 H new ATOM 0 HB3 PRO A 24 -11.634 -9.414 12.766 1.00 45.33 H new ATOM 0 HG2 PRO A 24 -11.112 -7.583 10.431 1.00 33.50 H new ATOM 0 HG3 PRO A 24 -11.410 -7.170 12.108 1.00 33.50 H new ATOM 0 HD2 PRO A 24 -8.891 -7.202 11.072 1.00 74.30 H new ATOM 0 HD3 PRO A 24 -9.197 -7.606 12.750 1.00 74.30 H new ATOM 353 N GLU A 25 -9.587 -10.095 8.959 1.00 63.34 N ATOM 354 CA GLU A 25 -9.658 -10.469 7.551 1.00 42.32 C ATOM 355 C GLU A 25 -8.834 -11.724 7.279 1.00 45.24 C ATOM 356 O GLU A 25 -9.283 -12.638 6.587 1.00 21.13 O ATOM 357 CB GLU A 25 -9.163 -9.320 6.670 1.00 54.52 C ATOM 358 CG GLU A 25 -10.152 -8.171 6.555 1.00 32.55 C ATOM 359 CD GLU A 25 -11.049 -8.293 5.339 1.00 43.35 C ATOM 360 OE1 GLU A 25 -11.443 -9.430 5.004 1.00 42.53 O ATOM 361 OE2 GLU A 25 -11.356 -7.252 4.721 1.00 1.32 O ATOM 0 H GLU A 25 -8.884 -9.388 9.173 1.00 63.34 H new ATOM 0 HA GLU A 25 -10.700 -10.680 7.310 1.00 42.32 H new ATOM 0 HB2 GLU A 25 -8.224 -8.941 7.075 1.00 54.52 H new ATOM 0 HB3 GLU A 25 -8.948 -9.704 5.673 1.00 54.52 H new ATOM 0 HG2 GLU A 25 -10.768 -8.135 7.454 1.00 32.55 H new ATOM 0 HG3 GLU A 25 -9.605 -7.229 6.505 1.00 32.55 H new ATOM 368 N LYS A 26 -7.624 -11.760 7.827 1.00 63.23 N ATOM 369 CA LYS A 26 -6.735 -12.902 7.645 1.00 1.31 C ATOM 370 C LYS A 26 -6.268 -13.447 8.991 1.00 72.41 C ATOM 371 O LYS A 26 -6.347 -14.648 9.246 1.00 62.43 O ATOM 372 CB LYS A 26 -5.525 -12.502 6.797 1.00 30.54 C ATOM 373 CG LYS A 26 -4.860 -11.216 7.255 1.00 64.11 C ATOM 374 CD LYS A 26 -3.804 -10.752 6.265 1.00 10.25 C ATOM 375 CE LYS A 26 -4.422 -10.371 4.929 1.00 70.12 C ATOM 376 NZ LYS A 26 -3.469 -9.611 4.073 1.00 30.05 N ATOM 0 H LYS A 26 -7.236 -11.011 8.401 1.00 63.23 H new ATOM 0 HA LYS A 26 -7.290 -13.685 7.128 1.00 1.31 H new ATOM 0 HB2 LYS A 26 -4.792 -13.309 6.821 1.00 30.54 H new ATOM 0 HB3 LYS A 26 -5.840 -12.389 5.760 1.00 30.54 H new ATOM 0 HG2 LYS A 26 -5.614 -10.438 7.376 1.00 64.11 H new ATOM 0 HG3 LYS A 26 -4.402 -11.370 8.232 1.00 64.11 H new ATOM 0 HD2 LYS A 26 -3.269 -9.896 6.677 1.00 10.25 H new ATOM 0 HD3 LYS A 26 -3.071 -11.545 6.115 1.00 10.25 H new ATOM 0 HE2 LYS A 26 -4.740 -11.273 4.406 1.00 70.12 H new ATOM 0 HE3 LYS A 26 -5.315 -9.770 5.100 1.00 70.12 H new ATOM 0 HZ1 LYS A 26 -3.928 -9.370 3.172 1.00 30.05 H new ATOM 0 HZ2 LYS A 26 -3.185 -8.738 4.561 1.00 30.05 H new ATOM 0 HZ3 LYS A 26 -2.628 -10.194 3.888 1.00 30.05 H new ATOM 390 N GLY A 27 -5.783 -12.556 9.850 1.00 12.01 N ATOM 391 CA GLY A 27 -5.313 -12.968 11.160 1.00 44.33 C ATOM 392 C GLY A 27 -4.164 -12.113 11.658 1.00 20.30 C ATOM 393 O GLY A 27 -3.972 -10.989 11.195 1.00 51.40 O ATOM 0 H GLY A 27 -5.707 -11.556 9.662 1.00 12.01 H new ATOM 0 HA2 GLY A 27 -6.137 -12.915 11.872 1.00 44.33 H new ATOM 0 HA3 GLY A 27 -4.995 -14.010 11.118 1.00 44.33 H new ATOM 397 N ILE A 28 -3.400 -12.647 12.605 1.00 45.40 N ATOM 398 CA ILE A 28 -2.265 -11.925 13.166 1.00 4.45 C ATOM 399 C ILE A 28 -1.256 -11.558 12.083 1.00 22.13 C ATOM 400 O ILE A 28 -0.850 -12.404 11.286 1.00 40.21 O ATOM 401 CB ILE A 28 -1.555 -12.751 14.255 1.00 4.22 C ATOM 402 CG1 ILE A 28 -0.261 -12.058 14.690 1.00 74.13 C ATOM 403 CG2 ILE A 28 -1.265 -14.156 13.749 1.00 0.01 C ATOM 404 CD1 ILE A 28 0.967 -12.563 13.966 1.00 22.21 C ATOM 0 H ILE A 28 -3.546 -13.576 12.999 1.00 45.40 H new ATOM 0 HA ILE A 28 -2.661 -11.013 13.613 1.00 4.45 H new ATOM 0 HB ILE A 28 -2.213 -12.826 15.120 1.00 4.22 H new ATOM 0 HG12 ILE A 28 -0.358 -10.986 14.520 1.00 74.13 H new ATOM 0 HG13 ILE A 28 -0.125 -12.200 15.762 1.00 74.13 H new ATOM 0 HG21 ILE A 28 -0.763 -14.728 14.530 1.00 0.01 H new ATOM 0 HG22 ILE A 28 -2.201 -14.648 13.484 1.00 0.01 H new ATOM 0 HG23 ILE A 28 -0.623 -14.101 12.870 1.00 0.01 H new ATOM 0 HD11 ILE A 28 1.846 -12.028 14.324 1.00 22.21 H new ATOM 0 HD12 ILE A 28 1.089 -13.629 14.156 1.00 22.21 H new ATOM 0 HD13 ILE A 28 0.852 -12.396 12.895 1.00 22.21 H new ATOM 416 N VAL A 29 -0.853 -10.292 12.062 1.00 41.55 N ATOM 417 CA VAL A 29 0.111 -9.813 11.078 1.00 3.22 C ATOM 418 C VAL A 29 0.927 -8.649 11.630 1.00 51.12 C ATOM 419 O VAL A 29 0.411 -7.810 12.368 1.00 12.13 O ATOM 420 CB VAL A 29 -0.586 -9.367 9.779 1.00 0.33 C ATOM 421 CG1 VAL A 29 0.428 -8.804 8.795 1.00 52.20 C ATOM 422 CG2 VAL A 29 -1.354 -10.526 9.162 1.00 2.12 C ATOM 0 H VAL A 29 -1.179 -9.579 12.715 1.00 41.55 H new ATOM 0 HA VAL A 29 0.777 -10.647 10.856 1.00 3.22 H new ATOM 0 HB VAL A 29 -1.298 -8.578 10.021 1.00 0.33 H new ATOM 0 HG11 VAL A 29 -0.083 -8.494 7.883 1.00 52.20 H new ATOM 0 HG12 VAL A 29 0.929 -7.944 9.240 1.00 52.20 H new ATOM 0 HG13 VAL A 29 1.166 -9.569 8.555 1.00 52.20 H new ATOM 0 HG21 VAL A 29 -1.840 -10.193 8.245 1.00 2.12 H new ATOM 0 HG22 VAL A 29 -0.664 -11.338 8.933 1.00 2.12 H new ATOM 0 HG23 VAL A 29 -2.108 -10.878 9.866 1.00 2.12 H new ATOM 432 N VAL A 30 2.205 -8.604 11.266 1.00 54.31 N ATOM 433 CA VAL A 30 3.093 -7.541 11.723 1.00 74.32 C ATOM 434 C VAL A 30 3.741 -6.822 10.545 1.00 33.31 C ATOM 435 O VAL A 30 4.349 -7.451 9.679 1.00 41.43 O ATOM 436 CB VAL A 30 4.197 -8.091 12.645 1.00 13.24 C ATOM 437 CG1 VAL A 30 4.913 -9.259 11.985 1.00 52.24 C ATOM 438 CG2 VAL A 30 5.181 -6.990 13.012 1.00 33.11 C ATOM 0 H VAL A 30 2.648 -9.291 10.656 1.00 54.31 H new ATOM 0 HA VAL A 30 2.480 -6.835 12.283 1.00 74.32 H new ATOM 0 HB VAL A 30 3.733 -8.453 13.562 1.00 13.24 H new ATOM 0 HG11 VAL A 30 5.689 -9.634 12.652 1.00 52.24 H new ATOM 0 HG12 VAL A 30 4.197 -10.055 11.778 1.00 52.24 H new ATOM 0 HG13 VAL A 30 5.366 -8.927 11.051 1.00 52.24 H new ATOM 0 HG21 VAL A 30 5.955 -7.396 13.664 1.00 33.11 H new ATOM 0 HG22 VAL A 30 5.640 -6.596 12.106 1.00 33.11 H new ATOM 0 HG23 VAL A 30 4.654 -6.189 13.530 1.00 33.11 H new ATOM 448 N VAL A 31 3.607 -5.500 10.520 1.00 72.04 N ATOM 449 CA VAL A 31 4.181 -4.694 9.449 1.00 52.11 C ATOM 450 C VAL A 31 4.539 -3.297 9.944 1.00 24.41 C ATOM 451 O VAL A 31 4.074 -2.862 10.998 1.00 22.21 O ATOM 452 CB VAL A 31 3.212 -4.571 8.258 1.00 61.34 C ATOM 453 CG1 VAL A 31 3.199 -5.857 7.445 1.00 33.35 C ATOM 454 CG2 VAL A 31 1.813 -4.223 8.743 1.00 41.22 C ATOM 0 H VAL A 31 3.106 -4.964 11.229 1.00 72.04 H new ATOM 0 HA VAL A 31 5.087 -5.204 9.120 1.00 52.11 H new ATOM 0 HB VAL A 31 3.559 -3.764 7.612 1.00 61.34 H new ATOM 0 HG11 VAL A 31 2.509 -5.751 6.608 1.00 33.35 H new ATOM 0 HG12 VAL A 31 4.201 -6.058 7.066 1.00 33.35 H new ATOM 0 HG13 VAL A 31 2.878 -6.684 8.078 1.00 33.35 H new ATOM 0 HG21 VAL A 31 1.142 -4.140 7.888 1.00 41.22 H new ATOM 0 HG22 VAL A 31 1.454 -5.006 9.411 1.00 41.22 H new ATOM 0 HG23 VAL A 31 1.839 -3.273 9.277 1.00 41.22 H new ATOM 464 N HIS A 32 5.369 -2.598 9.177 1.00 65.24 N ATOM 465 CA HIS A 32 5.790 -1.249 9.537 1.00 42.22 C ATOM 466 C HIS A 32 5.072 -0.209 8.681 1.00 21.44 C ATOM 467 O HIS A 32 4.707 -0.477 7.537 1.00 24.04 O ATOM 468 CB HIS A 32 7.303 -1.103 9.374 1.00 64.23 C ATOM 469 CG HIS A 32 7.816 -1.612 8.062 1.00 63.22 C ATOM 470 ND1 HIS A 32 8.001 -0.803 6.961 1.00 42.21 N ATOM 471 CD2 HIS A 32 8.186 -2.857 7.678 1.00 14.43 C ATOM 472 CE1 HIS A 32 8.460 -1.528 5.956 1.00 4.44 C ATOM 473 NE2 HIS A 32 8.582 -2.778 6.366 1.00 53.51 N ATOM 0 H HIS A 32 5.763 -2.943 8.302 1.00 65.24 H new ATOM 0 HA HIS A 32 5.527 -1.080 10.581 1.00 42.22 H new ATOM 0 HB2 HIS A 32 7.571 -0.052 9.476 1.00 64.23 H new ATOM 0 HB3 HIS A 32 7.801 -1.639 10.182 1.00 64.23 H new ATOM 0 HD2 HIS A 32 8.172 -3.747 8.290 1.00 14.43 H new ATOM 0 HE1 HIS A 32 8.695 -1.161 4.968 1.00 4.44 H new ATOM 0 HE2 HIS A 32 8.916 -3.558 5.800 1.00 53.51 H new ATOM 481 N GLY A 33 4.872 0.978 9.245 1.00 14.03 N ATOM 482 CA GLY A 33 4.197 2.039 8.521 1.00 41.15 C ATOM 483 C GLY A 33 2.989 2.572 9.264 1.00 35.23 C ATOM 484 O GLY A 33 2.113 1.808 9.669 1.00 24.31 O ATOM 0 H GLY A 33 5.165 1.224 10.190 1.00 14.03 H new ATOM 0 HA2 GLY A 33 4.898 2.854 8.341 1.00 41.15 H new ATOM 0 HA3 GLY A 33 3.884 1.667 7.545 1.00 41.15 H new ATOM 488 N GLY A 34 2.940 3.888 9.447 1.00 43.15 N ATOM 489 CA GLY A 34 1.827 4.500 10.148 1.00 31.42 C ATOM 490 C GLY A 34 0.484 4.062 9.598 1.00 60.31 C ATOM 491 O GLY A 34 -0.510 4.021 10.324 1.00 24.11 O ATOM 0 H GLY A 34 3.652 4.542 9.122 1.00 43.15 H new ATOM 0 HA2 GLY A 34 1.884 4.245 11.206 1.00 31.42 H new ATOM 0 HA3 GLY A 34 1.909 5.585 10.077 1.00 31.42 H new ATOM 495 N CYS A 35 0.452 3.735 8.310 1.00 22.34 N ATOM 496 CA CYS A 35 -0.779 3.300 7.662 1.00 62.24 C ATOM 497 C CYS A 35 -1.191 1.914 8.150 1.00 63.12 C ATOM 498 O CYS A 35 -2.354 1.680 8.477 1.00 3.32 O ATOM 499 CB CYS A 35 -0.601 3.285 6.142 1.00 55.40 C ATOM 500 SG CYS A 35 -2.054 3.881 5.218 1.00 10.42 S ATOM 0 H CYS A 35 1.265 3.763 7.695 1.00 22.34 H new ATOM 0 HA CYS A 35 -1.567 4.007 7.923 1.00 62.24 H new ATOM 0 HB2 CYS A 35 0.260 3.901 5.881 1.00 55.40 H new ATOM 0 HB3 CYS A 35 -0.373 2.268 5.823 1.00 55.40 H new ATOM 505 N ALA A 36 -0.228 0.999 8.196 1.00 72.33 N ATOM 506 CA ALA A 36 -0.490 -0.363 8.646 1.00 44.22 C ATOM 507 C ALA A 36 -0.932 -0.383 10.105 1.00 23.31 C ATOM 508 O ALA A 36 -1.789 -1.178 10.494 1.00 40.23 O ATOM 509 CB ALA A 36 0.747 -1.228 8.455 1.00 60.42 C ATOM 0 H ALA A 36 0.740 1.176 7.927 1.00 72.33 H new ATOM 0 HA ALA A 36 -1.301 -0.770 8.042 1.00 44.22 H new ATOM 0 HB1 ALA A 36 0.538 -2.242 8.795 1.00 60.42 H new ATOM 0 HB2 ALA A 36 1.018 -1.248 7.399 1.00 60.42 H new ATOM 0 HB3 ALA A 36 1.573 -0.815 9.034 1.00 60.42 H new ATOM 515 N LEU A 37 -0.342 0.494 10.909 1.00 24.04 N ATOM 516 CA LEU A 37 -0.674 0.576 12.327 1.00 14.44 C ATOM 517 C LEU A 37 -1.992 1.316 12.535 1.00 32.14 C ATOM 518 O LEU A 37 -2.832 0.896 13.331 1.00 73.10 O ATOM 519 CB LEU A 37 0.446 1.281 13.094 1.00 12.42 C ATOM 520 CG LEU A 37 0.430 1.110 14.614 1.00 51.44 C ATOM 521 CD1 LEU A 37 0.574 -0.357 14.987 1.00 12.21 C ATOM 522 CD2 LEU A 37 1.535 1.937 15.255 1.00 61.21 C ATOM 0 H LEU A 37 0.369 1.159 10.603 1.00 24.04 H new ATOM 0 HA LEU A 37 -0.784 -0.439 12.709 1.00 14.44 H new ATOM 0 HB2 LEU A 37 1.402 0.917 12.718 1.00 12.42 H new ATOM 0 HB3 LEU A 37 0.399 2.346 12.868 1.00 12.42 H new ATOM 0 HG LEU A 37 -0.528 1.467 14.991 1.00 51.44 H new ATOM 0 HD11 LEU A 37 0.561 -0.460 16.072 1.00 12.21 H new ATOM 0 HD12 LEU A 37 -0.252 -0.924 14.559 1.00 12.21 H new ATOM 0 HD13 LEU A 37 1.517 -0.740 14.598 1.00 12.21 H new ATOM 0 HD21 LEU A 37 1.509 1.803 16.336 1.00 61.21 H new ATOM 0 HD22 LEU A 37 2.502 1.611 14.872 1.00 61.21 H new ATOM 0 HD23 LEU A 37 1.387 2.990 15.016 1.00 61.21 H new ATOM 534 N SER A 38 -2.167 2.418 11.813 1.00 3.02 N ATOM 535 CA SER A 38 -3.382 3.217 11.920 1.00 42.24 C ATOM 536 C SER A 38 -4.603 2.408 11.494 1.00 33.14 C ATOM 537 O SER A 38 -5.683 2.541 12.072 1.00 63.44 O ATOM 538 CB SER A 38 -3.266 4.477 11.059 1.00 21.03 C ATOM 539 OG SER A 38 -2.367 5.408 11.637 1.00 52.12 O ATOM 0 H SER A 38 -1.483 2.778 11.148 1.00 3.02 H new ATOM 0 HA SER A 38 -3.506 3.508 12.963 1.00 42.24 H new ATOM 0 HB2 SER A 38 -2.924 4.208 10.060 1.00 21.03 H new ATOM 0 HB3 SER A 38 -4.248 4.936 10.947 1.00 21.03 H new ATOM 0 HG SER A 38 -1.455 5.210 11.340 1.00 52.12 H new ATOM 545 N LYS A 39 -4.425 1.568 10.480 1.00 10.41 N ATOM 546 CA LYS A 39 -5.510 0.735 9.976 1.00 13.21 C ATOM 547 C LYS A 39 -5.946 -0.284 11.024 1.00 0.44 C ATOM 548 O LYS A 39 -7.128 -0.382 11.355 1.00 50.22 O ATOM 549 CB LYS A 39 -5.076 0.014 8.698 1.00 22.12 C ATOM 550 CG LYS A 39 -5.209 0.862 7.446 1.00 51.45 C ATOM 551 CD LYS A 39 -5.202 0.007 6.189 1.00 15.35 C ATOM 552 CE LYS A 39 -4.784 0.813 4.969 1.00 24.31 C ATOM 553 NZ LYS A 39 -3.344 0.616 4.642 1.00 10.44 N ATOM 0 H LYS A 39 -3.538 1.446 9.991 1.00 10.41 H new ATOM 0 HA LYS A 39 -6.357 1.383 9.750 1.00 13.21 H new ATOM 0 HB2 LYS A 39 -4.038 -0.302 8.804 1.00 22.12 H new ATOM 0 HB3 LYS A 39 -5.674 -0.890 8.580 1.00 22.12 H new ATOM 0 HG2 LYS A 39 -6.134 1.436 7.491 1.00 51.45 H new ATOM 0 HG3 LYS A 39 -4.390 1.580 7.403 1.00 51.45 H new ATOM 0 HD2 LYS A 39 -4.520 -0.833 6.323 1.00 15.35 H new ATOM 0 HD3 LYS A 39 -6.195 -0.412 6.027 1.00 15.35 H new ATOM 0 HE2 LYS A 39 -5.394 0.521 4.114 1.00 24.31 H new ATOM 0 HE3 LYS A 39 -4.974 1.871 5.150 1.00 24.31 H new ATOM 0 HZ1 LYS A 39 -2.836 1.517 4.753 1.00 10.44 H new ATOM 0 HZ2 LYS A 39 -2.936 -0.093 5.284 1.00 10.44 H new ATOM 0 HZ3 LYS A 39 -3.253 0.286 3.660 1.00 10.44 H new ATOM 567 N TYR A 40 -4.985 -1.038 11.545 1.00 64.24 N ATOM 568 CA TYR A 40 -5.270 -2.050 12.555 1.00 64.10 C ATOM 569 C TYR A 40 -5.665 -1.402 13.878 1.00 32.24 C ATOM 570 O TYR A 40 -6.329 -2.019 14.712 1.00 23.20 O ATOM 571 CB TYR A 40 -4.052 -2.953 12.760 1.00 31.12 C ATOM 572 CG TYR A 40 -3.662 -3.733 11.525 1.00 22.22 C ATOM 573 CD1 TYR A 40 -4.628 -4.274 10.686 1.00 14.33 C ATOM 574 CD2 TYR A 40 -2.326 -3.929 11.197 1.00 41.22 C ATOM 575 CE1 TYR A 40 -4.276 -4.988 9.557 1.00 11.35 C ATOM 576 CE2 TYR A 40 -1.964 -4.640 10.069 1.00 33.20 C ATOM 577 CZ TYR A 40 -2.943 -5.168 9.253 1.00 60.10 C ATOM 578 OH TYR A 40 -2.588 -5.878 8.129 1.00 40.44 O ATOM 0 H TYR A 40 -4.001 -0.968 11.285 1.00 64.24 H new ATOM 0 HA TYR A 40 -6.106 -2.654 12.203 1.00 64.10 H new ATOM 0 HB2 TYR A 40 -3.206 -2.342 13.076 1.00 31.12 H new ATOM 0 HB3 TYR A 40 -4.261 -3.652 13.570 1.00 31.12 H new ATOM 0 HD1 TYR A 40 -5.673 -4.134 10.921 1.00 14.33 H new ATOM 0 HD2 TYR A 40 -1.557 -3.518 11.835 1.00 41.22 H new ATOM 0 HE1 TYR A 40 -5.040 -5.403 8.916 1.00 11.35 H new ATOM 0 HE2 TYR A 40 -0.921 -4.782 9.828 1.00 33.20 H new ATOM 0 HH TYR A 40 -1.611 -5.912 8.058 1.00 40.44 H new ATOM 588 N LYS A 41 -5.253 -0.153 14.064 1.00 13.22 N ATOM 589 CA LYS A 41 -5.565 0.583 15.284 1.00 24.42 C ATOM 590 C LYS A 41 -6.976 1.159 15.227 1.00 22.31 C ATOM 591 O LYS A 41 -7.605 1.392 16.260 1.00 64.41 O ATOM 592 CB LYS A 41 -4.551 1.709 15.498 1.00 23.22 C ATOM 593 CG LYS A 41 -4.838 2.561 16.722 1.00 50.42 C ATOM 594 CD LYS A 41 -3.763 3.614 16.933 1.00 42.10 C ATOM 595 CE LYS A 41 -4.125 4.561 18.067 1.00 40.34 C ATOM 596 NZ LYS A 41 -3.215 5.739 18.118 1.00 62.23 N ATOM 0 H LYS A 41 -4.702 0.372 13.385 1.00 13.22 H new ATOM 0 HA LYS A 41 -5.509 -0.112 16.122 1.00 24.42 H new ATOM 0 HB2 LYS A 41 -3.555 1.277 15.592 1.00 23.22 H new ATOM 0 HB3 LYS A 41 -4.539 2.348 14.615 1.00 23.22 H new ATOM 0 HG2 LYS A 41 -5.807 3.047 16.609 1.00 50.42 H new ATOM 0 HG3 LYS A 41 -4.902 1.923 17.604 1.00 50.42 H new ATOM 0 HD2 LYS A 41 -2.813 3.127 17.154 1.00 42.10 H new ATOM 0 HD3 LYS A 41 -3.624 4.182 16.013 1.00 42.10 H new ATOM 0 HE2 LYS A 41 -5.153 4.901 17.942 1.00 40.34 H new ATOM 0 HE3 LYS A 41 -4.080 4.026 19.015 1.00 40.34 H new ATOM 0 HZ1 LYS A 41 -3.495 6.360 18.904 1.00 62.23 H new ATOM 0 HZ2 LYS A 41 -2.237 5.416 18.263 1.00 62.23 H new ATOM 0 HZ3 LYS A 41 -3.277 6.265 17.223 1.00 62.23 H new ATOM 610 N CYS A 42 -7.469 1.385 14.014 1.00 2.41 N ATOM 611 CA CYS A 42 -8.806 1.933 13.822 1.00 50.23 C ATOM 612 C CYS A 42 -9.868 0.854 14.010 1.00 32.14 C ATOM 613 O CYS A 42 -10.863 1.064 14.703 1.00 35.12 O ATOM 614 CB CYS A 42 -8.932 2.549 12.427 1.00 4.50 C ATOM 615 SG CYS A 42 -10.531 2.232 11.615 1.00 12.12 S ATOM 0 H CYS A 42 -6.962 1.197 13.149 1.00 2.41 H new ATOM 0 HA CYS A 42 -8.964 2.709 14.571 1.00 50.23 H new ATOM 0 HB2 CYS A 42 -8.782 3.626 12.502 1.00 4.50 H new ATOM 0 HB3 CYS A 42 -8.133 2.160 11.796 1.00 4.50 H new ATOM 620 N GLN A 43 -9.648 -0.300 13.389 1.00 21.34 N ATOM 621 CA GLN A 43 -10.586 -1.412 13.489 1.00 53.12 C ATOM 622 C GLN A 43 -10.709 -1.893 14.931 1.00 73.32 C ATOM 623 O GLN A 43 -11.808 -2.168 15.412 1.00 44.10 O ATOM 624 CB GLN A 43 -10.140 -2.566 12.590 1.00 65.02 C ATOM 625 CG GLN A 43 -8.639 -2.809 12.612 1.00 50.43 C ATOM 626 CD GLN A 43 -8.287 -4.271 12.799 1.00 60.23 C ATOM 627 OE1 GLN A 43 -8.309 -4.789 13.916 1.00 70.13 O ATOM 628 NE2 GLN A 43 -7.960 -4.946 11.703 1.00 24.41 N ATOM 0 H GLN A 43 -8.829 -0.490 12.811 1.00 21.34 H new ATOM 0 HA GLN A 43 -11.563 -1.060 13.158 1.00 53.12 H new ATOM 0 HB2 GLN A 43 -10.652 -3.477 12.901 1.00 65.02 H new ATOM 0 HB3 GLN A 43 -10.451 -2.359 11.566 1.00 65.02 H new ATOM 0 HG2 GLN A 43 -8.203 -2.451 11.679 1.00 50.43 H new ATOM 0 HG3 GLN A 43 -8.192 -2.226 13.417 1.00 50.43 H new ATOM 0 HE21 GLN A 43 -7.955 -4.477 10.797 1.00 24.41 H new ATOM 0 HE22 GLN A 43 -7.714 -5.934 11.767 1.00 24.41 H new ATOM 637 N ASN A 44 -9.574 -1.993 15.615 1.00 71.42 N ATOM 638 CA ASN A 44 -9.555 -2.443 17.002 1.00 1.32 C ATOM 639 C ASN A 44 -8.538 -1.649 17.817 1.00 14.21 C ATOM 640 O ASN A 44 -7.440 -2.119 18.114 1.00 31.31 O ATOM 641 CB ASN A 44 -9.227 -3.936 17.072 1.00 11.40 C ATOM 642 CG ASN A 44 -10.352 -4.800 16.535 1.00 24.15 C ATOM 643 OD1 ASN A 44 -11.529 -4.514 16.755 1.00 24.04 O ATOM 644 ND2 ASN A 44 -9.993 -5.865 15.827 1.00 1.24 N ATOM 0 H ASN A 44 -8.656 -1.769 15.232 1.00 71.42 H new ATOM 0 HA ASN A 44 -10.545 -2.275 17.426 1.00 1.32 H new ATOM 0 HB2 ASN A 44 -8.318 -4.133 16.503 1.00 11.40 H new ATOM 0 HB3 ASN A 44 -9.022 -4.212 18.106 1.00 11.40 H new ATOM 0 HD21 ASN A 44 -10.705 -6.484 15.441 1.00 1.24 H new ATOM 0 HD22 ASN A 44 -9.005 -6.063 15.670 1.00 1.24 H new ATOM 651 N PRO A 45 -8.912 -0.415 18.189 1.00 63.25 N ATOM 652 CA PRO A 45 -8.048 0.470 18.975 1.00 3.12 C ATOM 653 C PRO A 45 -7.873 -0.015 20.410 1.00 32.41 C ATOM 654 O PRO A 45 -7.063 0.523 21.163 1.00 15.53 O ATOM 655 CB PRO A 45 -8.793 1.807 18.950 1.00 44.02 C ATOM 656 CG PRO A 45 -10.220 1.441 18.733 1.00 14.13 C ATOM 657 CD PRO A 45 -10.206 0.210 17.870 1.00 51.23 C ATOM 0 HA PRO A 45 -7.038 0.521 18.567 1.00 3.12 H new ATOM 0 HB2 PRO A 45 -8.662 2.351 19.885 1.00 44.02 H new ATOM 0 HB3 PRO A 45 -8.424 2.451 18.152 1.00 44.02 H new ATOM 0 HG2 PRO A 45 -10.721 1.247 19.681 1.00 14.13 H new ATOM 0 HG3 PRO A 45 -10.761 2.252 18.246 1.00 14.13 H new ATOM 0 HD2 PRO A 45 -11.040 -0.452 18.101 1.00 51.23 H new ATOM 0 HD3 PRO A 45 -10.282 0.460 16.812 1.00 51.23 H new ATOM 665 N ASN A 46 -8.638 -1.037 20.782 1.00 52.25 N ATOM 666 CA ASN A 46 -8.568 -1.595 22.127 1.00 3.21 C ATOM 667 C ASN A 46 -8.016 -3.017 22.098 1.00 1.11 C ATOM 668 O ASN A 46 -8.226 -3.795 23.029 1.00 22.02 O ATOM 669 CB ASN A 46 -9.952 -1.586 22.779 1.00 71.15 C ATOM 670 CG ASN A 46 -10.969 -2.385 21.986 1.00 22.13 C ATOM 671 OD1 ASN A 46 -11.334 -2.013 20.871 1.00 33.40 O ATOM 672 ND2 ASN A 46 -11.431 -3.490 22.561 1.00 41.50 N ATOM 0 H ASN A 46 -9.313 -1.495 20.170 1.00 52.25 H new ATOM 0 HA ASN A 46 -7.893 -0.974 22.716 1.00 3.21 H new ATOM 0 HB2 ASN A 46 -9.879 -1.995 23.787 1.00 71.15 H new ATOM 0 HB3 ASN A 46 -10.298 -0.557 22.877 1.00 71.15 H new ATOM 0 HD21 ASN A 46 -12.117 -4.069 22.076 1.00 41.50 H new ATOM 0 HD22 ASN A 46 -11.100 -3.760 23.487 1.00 41.50 H new ATOM 679 N HIS A 47 -7.309 -3.350 21.023 1.00 43.32 N ATOM 680 CA HIS A 47 -6.725 -4.678 20.873 1.00 52.05 C ATOM 681 C HIS A 47 -5.283 -4.698 21.371 1.00 14.41 C ATOM 682 O HIS A 47 -4.679 -3.648 21.590 1.00 62.42 O ATOM 683 CB HIS A 47 -6.777 -5.118 19.409 1.00 32.43 C ATOM 684 CG HIS A 47 -7.629 -6.329 19.178 1.00 45.20 C ATOM 685 ND1 HIS A 47 -7.123 -7.528 18.722 1.00 34.24 N ATOM 686 CD2 HIS A 47 -8.958 -6.521 19.344 1.00 51.24 C ATOM 687 CE1 HIS A 47 -8.106 -8.405 18.616 1.00 23.22 C ATOM 688 NE2 HIS A 47 -9.230 -7.819 18.988 1.00 45.04 N ATOM 0 H HIS A 47 -7.127 -2.719 20.243 1.00 43.32 H new ATOM 0 HA HIS A 47 -7.308 -5.374 21.476 1.00 52.05 H new ATOM 0 HB2 HIS A 47 -7.158 -4.295 18.804 1.00 32.43 H new ATOM 0 HB3 HIS A 47 -5.764 -5.325 19.064 1.00 32.43 H new ATOM 0 HD2 HIS A 47 -9.672 -5.789 19.692 1.00 51.24 H new ATOM 0 HE1 HIS A 47 -8.007 -9.427 18.282 1.00 23.22 H new ATOM 0 HE2 HIS A 47 -10.150 -8.259 19.008 1.00 45.04 H new ATOM 696 N GLU A 48 -4.740 -5.898 21.549 1.00 41.31 N ATOM 697 CA GLU A 48 -3.370 -6.052 22.023 1.00 23.33 C ATOM 698 C GLU A 48 -2.371 -5.724 20.917 1.00 22.14 C ATOM 699 O GLU A 48 -2.115 -6.542 20.033 1.00 40.50 O ATOM 700 CB GLU A 48 -3.139 -7.478 22.527 1.00 21.53 C ATOM 701 CG GLU A 48 -2.440 -7.542 23.875 1.00 70.10 C ATOM 702 CD GLU A 48 -2.255 -8.964 24.370 1.00 40.54 C ATOM 703 OE1 GLU A 48 -3.269 -9.677 24.521 1.00 42.54 O ATOM 704 OE2 GLU A 48 -1.095 -9.363 24.606 1.00 52.44 O ATOM 0 H GLU A 48 -5.227 -6.777 21.372 1.00 41.31 H new ATOM 0 HA GLU A 48 -3.217 -5.354 22.846 1.00 23.33 H new ATOM 0 HB2 GLU A 48 -4.099 -7.988 22.601 1.00 21.53 H new ATOM 0 HB3 GLU A 48 -2.545 -8.022 21.793 1.00 21.53 H new ATOM 0 HG2 GLU A 48 -1.466 -7.058 23.798 1.00 70.10 H new ATOM 0 HG3 GLU A 48 -3.019 -6.979 24.607 1.00 70.10 H new ATOM 711 N LYS A 49 -1.809 -4.521 20.974 1.00 72.24 N ATOM 712 CA LYS A 49 -0.838 -4.083 19.979 1.00 44.33 C ATOM 713 C LYS A 49 0.576 -4.490 20.382 1.00 72.41 C ATOM 714 O LYS A 49 1.169 -3.901 21.286 1.00 0.41 O ATOM 715 CB LYS A 49 -0.910 -2.565 19.799 1.00 13.44 C ATOM 716 CG LYS A 49 0.143 -2.013 18.855 1.00 42.52 C ATOM 717 CD LYS A 49 0.024 -0.505 18.707 1.00 44.03 C ATOM 718 CE LYS A 49 0.944 0.224 19.674 1.00 12.33 C ATOM 719 NZ LYS A 49 0.213 0.704 20.880 1.00 74.33 N ATOM 0 H LYS A 49 -2.010 -3.832 21.699 1.00 72.24 H new ATOM 0 HA LYS A 49 -1.082 -4.567 19.033 1.00 44.33 H new ATOM 0 HB2 LYS A 49 -1.898 -2.299 19.423 1.00 13.44 H new ATOM 0 HB3 LYS A 49 -0.800 -2.087 20.772 1.00 13.44 H new ATOM 0 HG2 LYS A 49 1.136 -2.266 19.228 1.00 42.52 H new ATOM 0 HG3 LYS A 49 0.040 -2.485 17.878 1.00 42.52 H new ATOM 0 HD2 LYS A 49 0.269 -0.218 17.684 1.00 44.03 H new ATOM 0 HD3 LYS A 49 -1.007 -0.201 18.885 1.00 44.03 H new ATOM 0 HE2 LYS A 49 1.751 -0.442 19.980 1.00 12.33 H new ATOM 0 HE3 LYS A 49 1.405 1.072 19.167 1.00 12.33 H new ATOM 0 HZ1 LYS A 49 0.878 0.802 21.673 1.00 74.33 H new ATOM 0 HZ2 LYS A 49 -0.223 1.626 20.678 1.00 74.33 H new ATOM 0 HZ3 LYS A 49 -0.528 0.019 21.132 1.00 74.33 H new ATOM 733 N LEU A 50 1.111 -5.501 19.705 1.00 13.24 N ATOM 734 CA LEU A 50 2.456 -5.986 19.992 1.00 21.52 C ATOM 735 C LEU A 50 2.565 -6.469 21.435 1.00 10.52 C ATOM 736 O LEU A 50 1.654 -6.269 22.238 1.00 71.15 O ATOM 737 CB LEU A 50 3.484 -4.884 19.732 1.00 51.21 C ATOM 738 CG LEU A 50 4.915 -5.350 19.460 1.00 35.32 C ATOM 739 CD1 LEU A 50 5.462 -4.691 18.204 1.00 53.50 C ATOM 740 CD2 LEU A 50 5.809 -5.051 20.655 1.00 71.44 C ATOM 0 H LEU A 50 0.634 -6.000 18.954 1.00 13.24 H new ATOM 0 HA LEU A 50 2.660 -6.828 19.330 1.00 21.52 H new ATOM 0 HB2 LEU A 50 3.147 -4.295 18.879 1.00 51.21 H new ATOM 0 HB3 LEU A 50 3.498 -4.218 20.594 1.00 51.21 H new ATOM 0 HG LEU A 50 4.902 -6.428 19.302 1.00 35.32 H new ATOM 0 HD11 LEU A 50 6.481 -5.035 18.027 1.00 53.50 H new ATOM 0 HD12 LEU A 50 4.836 -4.956 17.352 1.00 53.50 H new ATOM 0 HD13 LEU A 50 5.461 -3.608 18.331 1.00 53.50 H new ATOM 0 HD21 LEU A 50 6.824 -5.389 20.444 1.00 71.44 H new ATOM 0 HD22 LEU A 50 5.816 -3.978 20.844 1.00 71.44 H new ATOM 0 HD23 LEU A 50 5.428 -5.572 21.534 1.00 71.44 H new ATOM 752 N GLY A 51 3.688 -7.103 21.759 1.00 10.30 N ATOM 753 CA GLY A 51 3.896 -7.601 23.106 1.00 64.31 C ATOM 754 C GLY A 51 4.527 -8.980 23.123 1.00 51.33 C ATOM 755 O GLY A 51 4.649 -9.627 22.082 1.00 2.24 O ATOM 0 H GLY A 51 4.457 -7.280 21.113 1.00 10.30 H new ATOM 0 HA2 GLY A 51 4.534 -6.906 23.653 1.00 64.31 H new ATOM 0 HA3 GLY A 51 2.940 -7.636 23.629 1.00 64.31 H new ATOM 759 N TYR A 52 4.930 -9.430 24.306 1.00 54.32 N ATOM 760 CA TYR A 52 5.555 -10.739 24.453 1.00 0.52 C ATOM 761 C TYR A 52 4.510 -11.849 24.415 1.00 73.21 C ATOM 762 O TYR A 52 4.363 -12.614 25.369 1.00 70.23 O ATOM 763 CB TYR A 52 6.340 -10.807 25.764 1.00 64.10 C ATOM 764 CG TYR A 52 7.740 -10.245 25.661 1.00 2.13 C ATOM 765 CD1 TYR A 52 7.956 -8.874 25.601 1.00 43.44 C ATOM 766 CD2 TYR A 52 8.846 -11.085 25.624 1.00 45.41 C ATOM 767 CE1 TYR A 52 9.233 -8.355 25.506 1.00 64.30 C ATOM 768 CE2 TYR A 52 10.127 -10.575 25.531 1.00 61.10 C ATOM 769 CZ TYR A 52 10.315 -9.210 25.472 1.00 4.00 C ATOM 770 OH TYR A 52 11.589 -8.699 25.378 1.00 45.41 O ATOM 0 H TYR A 52 4.835 -8.908 25.177 1.00 54.32 H new ATOM 0 HA TYR A 52 6.241 -10.882 23.618 1.00 0.52 H new ATOM 0 HB2 TYR A 52 5.794 -10.261 26.533 1.00 64.10 H new ATOM 0 HB3 TYR A 52 6.397 -11.846 26.090 1.00 64.10 H new ATOM 0 HD1 TYR A 52 7.111 -8.202 25.629 1.00 43.44 H new ATOM 0 HD2 TYR A 52 8.702 -12.154 25.669 1.00 45.41 H new ATOM 0 HE1 TYR A 52 9.383 -7.287 25.459 1.00 64.30 H new ATOM 0 HE2 TYR A 52 10.976 -11.242 25.505 1.00 61.10 H new ATOM 0 HH TYR A 52 12.236 -9.435 25.367 1.00 45.41 H new ATOM 780 N THR A 53 3.784 -11.932 23.304 1.00 64.22 N ATOM 781 CA THR A 53 2.752 -12.948 23.139 1.00 1.30 C ATOM 782 C THR A 53 3.121 -13.933 22.036 1.00 24.22 C ATOM 783 O THR A 53 3.781 -13.571 21.061 1.00 33.02 O ATOM 784 CB THR A 53 1.388 -12.314 22.809 1.00 13.54 C ATOM 785 OG1 THR A 53 0.420 -13.338 22.557 1.00 55.13 O ATOM 786 CG2 THR A 53 1.494 -11.400 21.598 1.00 3.50 C ATOM 0 H THR A 53 3.892 -11.307 22.505 1.00 64.22 H new ATOM 0 HA THR A 53 2.678 -13.480 24.088 1.00 1.30 H new ATOM 0 HB THR A 53 1.072 -11.719 23.666 1.00 13.54 H new ATOM 0 HG1 THR A 53 -0.445 -12.927 22.350 1.00 55.13 H new ATOM 0 HG21 THR A 53 0.518 -10.964 21.385 1.00 3.50 H new ATOM 0 HG22 THR A 53 2.210 -10.604 21.804 1.00 3.50 H new ATOM 0 HG23 THR A 53 1.830 -11.976 20.736 1.00 3.50 H new ATOM 794 N HIS A 54 2.692 -15.181 22.196 1.00 70.12 N ATOM 795 CA HIS A 54 2.977 -16.219 21.212 1.00 72.42 C ATOM 796 C HIS A 54 2.410 -15.844 19.846 1.00 0.30 C ATOM 797 O HIS A 54 2.864 -16.343 18.817 1.00 20.12 O ATOM 798 CB HIS A 54 2.395 -17.558 21.668 1.00 14.50 C ATOM 799 CG HIS A 54 3.336 -18.365 22.508 1.00 14.11 C ATOM 800 ND1 HIS A 54 2.940 -19.040 23.644 1.00 65.14 N ATOM 801 CD2 HIS A 54 4.661 -18.605 22.372 1.00 52.24 C ATOM 802 CE1 HIS A 54 3.982 -19.659 24.170 1.00 1.12 C ATOM 803 NE2 HIS A 54 5.038 -19.411 23.417 1.00 65.21 N ATOM 0 H HIS A 54 2.146 -15.498 22.997 1.00 70.12 H new ATOM 0 HA HIS A 54 4.059 -16.313 21.123 1.00 72.42 H new ATOM 0 HB2 HIS A 54 1.482 -17.374 22.234 1.00 14.50 H new ATOM 0 HB3 HIS A 54 2.114 -18.140 20.791 1.00 14.50 H new ATOM 0 HD2 HIS A 54 5.302 -18.232 21.587 1.00 52.24 H new ATOM 0 HE1 HIS A 54 3.972 -20.265 25.064 1.00 1.12 H new ATOM 0 HE2 HIS A 54 5.981 -19.762 23.585 1.00 65.21 H new ATOM 811 N GLU A 55 1.415 -14.962 19.846 1.00 45.54 N ATOM 812 CA GLU A 55 0.786 -14.521 18.606 1.00 64.21 C ATOM 813 C GLU A 55 1.645 -13.474 17.902 1.00 20.22 C ATOM 814 O GLU A 55 1.640 -13.373 16.675 1.00 74.10 O ATOM 815 CB GLU A 55 -0.604 -13.950 18.889 1.00 55.32 C ATOM 816 CG GLU A 55 -1.513 -14.905 19.645 1.00 5.32 C ATOM 817 CD GLU A 55 -2.892 -15.013 19.024 1.00 24.52 C ATOM 818 OE1 GLU A 55 -2.979 -15.369 17.831 1.00 71.34 O ATOM 819 OE2 GLU A 55 -3.884 -14.743 19.733 1.00 3.30 O ATOM 0 H GLU A 55 1.028 -14.539 20.690 1.00 45.54 H new ATOM 0 HA GLU A 55 0.689 -15.386 17.950 1.00 64.21 H new ATOM 0 HB2 GLU A 55 -0.499 -13.030 19.464 1.00 55.32 H new ATOM 0 HB3 GLU A 55 -1.077 -13.683 17.944 1.00 55.32 H new ATOM 0 HG2 GLU A 55 -1.053 -15.893 19.673 1.00 5.32 H new ATOM 0 HG3 GLU A 55 -1.609 -14.569 20.677 1.00 5.32 H new ATOM 826 N CYS A 56 2.382 -12.696 18.688 1.00 33.33 N ATOM 827 CA CYS A 56 3.245 -11.656 18.143 1.00 41.20 C ATOM 828 C CYS A 56 4.689 -11.854 18.596 1.00 72.54 C ATOM 829 O CYS A 56 5.409 -10.889 18.846 1.00 42.23 O ATOM 830 CB CYS A 56 2.749 -10.274 18.575 1.00 63.33 C ATOM 831 SG CYS A 56 1.064 -9.878 18.007 1.00 62.30 S ATOM 0 H CYS A 56 2.398 -12.767 19.705 1.00 33.33 H new ATOM 0 HA CYS A 56 3.211 -11.724 17.056 1.00 41.20 H new ATOM 0 HB2 CYS A 56 2.778 -10.213 19.663 1.00 63.33 H new ATOM 0 HB3 CYS A 56 3.436 -9.518 18.195 1.00 63.33 H new ATOM 836 N GLU A 57 5.103 -13.113 18.698 1.00 63.52 N ATOM 837 CA GLU A 57 6.460 -13.438 19.121 1.00 65.33 C ATOM 838 C GLU A 57 7.467 -13.102 18.024 1.00 1.13 C ATOM 839 O GLU A 57 8.532 -12.548 18.295 1.00 62.43 O ATOM 840 CB GLU A 57 6.564 -14.921 19.486 1.00 53.42 C ATOM 841 CG GLU A 57 7.958 -15.346 19.916 1.00 15.20 C ATOM 842 CD GLU A 57 8.480 -16.525 19.118 1.00 2.50 C ATOM 843 OE1 GLU A 57 7.843 -17.598 19.160 1.00 52.23 O ATOM 844 OE2 GLU A 57 9.526 -16.374 18.452 1.00 31.24 O ATOM 0 H GLU A 57 4.519 -13.924 18.494 1.00 63.52 H new ATOM 0 HA GLU A 57 6.692 -12.838 20.001 1.00 65.33 H new ATOM 0 HB2 GLU A 57 5.863 -15.138 20.291 1.00 53.42 H new ATOM 0 HB3 GLU A 57 6.259 -15.520 18.628 1.00 53.42 H new ATOM 0 HG2 GLU A 57 8.641 -14.504 19.803 1.00 15.20 H new ATOM 0 HG3 GLU A 57 7.944 -15.606 20.974 1.00 15.20 H new ATOM 851 N GLU A 58 7.121 -13.442 16.787 1.00 52.45 N ATOM 852 CA GLU A 58 7.995 -13.177 15.650 1.00 53.04 C ATOM 853 C GLU A 58 8.145 -11.676 15.417 1.00 71.44 C ATOM 854 O GLU A 58 9.155 -11.218 14.884 1.00 62.42 O ATOM 855 CB GLU A 58 7.445 -13.848 14.389 1.00 43.52 C ATOM 856 CG GLU A 58 7.239 -15.346 14.537 1.00 45.35 C ATOM 857 CD GLU A 58 6.569 -15.965 13.325 1.00 2.34 C ATOM 858 OE1 GLU A 58 6.393 -15.250 12.316 1.00 34.51 O ATOM 859 OE2 GLU A 58 6.221 -17.162 13.387 1.00 63.45 O ATOM 0 H GLU A 58 6.243 -13.901 16.546 1.00 52.45 H new ATOM 0 HA GLU A 58 8.978 -13.592 15.875 1.00 53.04 H new ATOM 0 HB2 GLU A 58 6.495 -13.383 14.125 1.00 43.52 H new ATOM 0 HB3 GLU A 58 8.130 -13.664 13.561 1.00 43.52 H new ATOM 0 HG2 GLU A 58 8.203 -15.827 14.700 1.00 45.35 H new ATOM 0 HG3 GLU A 58 6.632 -15.540 15.422 1.00 45.35 H new ATOM 866 N ALA A 59 7.132 -10.917 15.819 1.00 14.44 N ATOM 867 CA ALA A 59 7.151 -9.468 15.656 1.00 32.33 C ATOM 868 C ALA A 59 8.344 -8.850 16.377 1.00 30.43 C ATOM 869 O ALA A 59 8.822 -7.780 16.001 1.00 11.31 O ATOM 870 CB ALA A 59 5.852 -8.862 16.167 1.00 73.54 C ATOM 0 H ALA A 59 6.287 -11.281 16.260 1.00 14.44 H new ATOM 0 HA ALA A 59 7.248 -9.248 14.593 1.00 32.33 H new ATOM 0 HB1 ALA A 59 5.880 -7.780 16.039 1.00 73.54 H new ATOM 0 HB2 ALA A 59 5.013 -9.272 15.605 1.00 73.54 H new ATOM 0 HB3 ALA A 59 5.731 -9.099 17.224 1.00 73.54 H new ATOM 876 N ILE A 60 8.820 -9.531 17.415 1.00 54.23 N ATOM 877 CA ILE A 60 9.957 -9.048 18.188 1.00 62.04 C ATOM 878 C ILE A 60 11.194 -8.896 17.309 1.00 61.02 C ATOM 879 O ILE A 60 11.844 -7.850 17.307 1.00 32.21 O ATOM 880 CB ILE A 60 10.286 -9.994 19.357 1.00 34.54 C ATOM 881 CG1 ILE A 60 9.071 -10.147 20.275 1.00 73.11 C ATOM 882 CG2 ILE A 60 11.484 -9.476 20.138 1.00 11.31 C ATOM 883 CD1 ILE A 60 9.212 -11.266 21.283 1.00 11.45 C ATOM 0 H ILE A 60 8.436 -10.418 17.739 1.00 54.23 H new ATOM 0 HA ILE A 60 9.675 -8.074 18.588 1.00 62.04 H new ATOM 0 HB ILE A 60 10.538 -10.974 18.951 1.00 34.54 H new ATOM 0 HG12 ILE A 60 8.907 -9.209 20.806 1.00 73.11 H new ATOM 0 HG13 ILE A 60 8.186 -10.328 19.665 1.00 73.11 H new ATOM 0 HG21 ILE A 60 11.704 -10.156 20.961 1.00 11.31 H new ATOM 0 HG22 ILE A 60 12.349 -9.414 19.478 1.00 11.31 H new ATOM 0 HG23 ILE A 60 11.259 -8.486 20.535 1.00 11.31 H new ATOM 0 HD11 ILE A 60 8.314 -11.316 21.899 1.00 11.45 H new ATOM 0 HD12 ILE A 60 9.346 -12.213 20.759 1.00 11.45 H new ATOM 0 HD13 ILE A 60 10.078 -11.077 21.918 1.00 11.45 H new ATOM 895 N LYS A 61 11.514 -9.946 16.560 1.00 20.34 N ATOM 896 CA LYS A 61 12.671 -9.930 15.673 1.00 22.45 C ATOM 897 C LYS A 61 12.394 -9.087 14.433 1.00 63.31 C ATOM 898 O LYS A 61 13.292 -8.436 13.901 1.00 41.21 O ATOM 899 CB LYS A 61 13.043 -11.356 15.261 1.00 23.53 C ATOM 900 CG LYS A 61 11.898 -12.124 14.623 1.00 2.41 C ATOM 901 CD LYS A 61 12.359 -13.467 14.083 1.00 4.12 C ATOM 902 CE LYS A 61 13.040 -13.320 12.731 1.00 74.33 C ATOM 903 NZ LYS A 61 12.139 -13.714 11.612 1.00 44.24 N ATOM 0 H LYS A 61 10.988 -10.820 16.550 1.00 20.34 H new ATOM 0 HA LYS A 61 13.506 -9.485 16.214 1.00 22.45 H new ATOM 0 HB2 LYS A 61 13.878 -11.317 14.561 1.00 23.53 H new ATOM 0 HB3 LYS A 61 13.389 -11.900 16.140 1.00 23.53 H new ATOM 0 HG2 LYS A 61 11.108 -12.278 15.358 1.00 2.41 H new ATOM 0 HG3 LYS A 61 11.469 -11.533 13.814 1.00 2.41 H new ATOM 0 HD2 LYS A 61 13.048 -13.928 14.791 1.00 4.12 H new ATOM 0 HD3 LYS A 61 11.504 -14.136 13.990 1.00 4.12 H new ATOM 0 HE2 LYS A 61 13.358 -12.286 12.595 1.00 74.33 H new ATOM 0 HE3 LYS A 61 13.939 -13.936 12.708 1.00 74.33 H new ATOM 0 HZ1 LYS A 61 12.639 -13.600 10.707 1.00 44.24 H new ATOM 0 HZ2 LYS A 61 11.855 -14.708 11.728 1.00 44.24 H new ATOM 0 HZ3 LYS A 61 11.293 -13.110 11.618 1.00 44.24 H new ATOM 917 N ASN A 62 11.146 -9.104 13.978 1.00 15.13 N ATOM 918 CA ASN A 62 10.751 -8.340 12.801 1.00 54.34 C ATOM 919 C ASN A 62 10.963 -6.846 13.025 1.00 45.30 C ATOM 920 O ASN A 62 11.328 -6.115 12.104 1.00 23.23 O ATOM 921 CB ASN A 62 9.284 -8.612 12.458 1.00 4.45 C ATOM 922 CG ASN A 62 9.056 -8.754 10.966 1.00 14.31 C ATOM 923 OD1 ASN A 62 8.815 -7.769 10.267 1.00 23.12 O ATOM 924 ND2 ASN A 62 9.129 -9.984 10.471 1.00 42.42 N ATOM 0 H ASN A 62 10.391 -9.639 14.407 1.00 15.13 H new ATOM 0 HA ASN A 62 11.377 -8.657 11.967 1.00 54.34 H new ATOM 0 HB2 ASN A 62 8.959 -9.523 12.961 1.00 4.45 H new ATOM 0 HB3 ASN A 62 8.667 -7.799 12.841 1.00 4.45 H new ATOM 0 HD21 ASN A 62 8.983 -10.142 9.474 1.00 42.42 H new ATOM 0 HD22 ASN A 62 9.331 -10.771 11.088 1.00 42.42 H new ATOM 931 N ALA A 63 10.733 -6.399 14.255 1.00 22.03 N ATOM 932 CA ALA A 63 10.902 -4.993 14.602 1.00 62.32 C ATOM 933 C ALA A 63 12.285 -4.735 15.191 1.00 32.40 C ATOM 934 O ALA A 63 12.967 -5.648 15.657 1.00 4.24 O ATOM 935 CB ALA A 63 9.820 -4.557 15.578 1.00 3.34 C ATOM 0 H ALA A 63 10.429 -6.990 15.028 1.00 22.03 H new ATOM 0 HA ALA A 63 10.810 -4.405 13.689 1.00 62.32 H new ATOM 0 HB1 ALA A 63 9.958 -3.505 15.829 1.00 3.34 H new ATOM 0 HB2 ALA A 63 8.840 -4.695 15.121 1.00 3.34 H new ATOM 0 HB3 ALA A 63 9.885 -5.158 16.485 1.00 3.34 H new