USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= 0.056 (180deg=-0.191) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0691) USER MOD Single : A 48 ASN : amide:sc= 0.0133 X(o=0.013,f=-0.055) USER MOD Single : A 53 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0653) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.681 K(o=0.68,f=-0.032) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0.835 (180deg=0.72) USER MOD Single : A 75 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 37 29.578 18.339 13.109 1.00 20.00 N ATOM 2 CA LEU A 37 29.886 19.781 13.077 1.00 20.00 C ATOM 3 C LEU A 37 30.369 20.262 14.450 1.00 20.00 C ATOM 4 O LEU A 37 30.001 19.699 15.481 1.00 20.00 O ATOM 5 CB LEU A 37 28.656 20.571 12.583 1.00 20.00 C ATOM 6 CG LEU A 37 28.882 22.081 12.337 1.00 20.00 C ATOM 7 CD1 LEU A 37 29.976 22.353 11.289 1.00 20.00 C ATOM 8 CD2 LEU A 37 27.577 22.735 11.875 1.00 20.00 C ATOM 0 HA LEU A 37 30.699 19.960 12.374 1.00 20.00 H new ATOM 0 HB2 LEU A 37 28.306 20.119 11.655 1.00 20.00 H new ATOM 0 HB3 LEU A 37 27.856 20.457 13.315 1.00 20.00 H new ATOM 0 HG LEU A 37 29.213 22.509 13.283 1.00 20.00 H new ATOM 0 HD11 LEU A 37 30.093 23.428 11.156 1.00 20.00 H new ATOM 0 HD12 LEU A 37 30.919 21.925 11.628 1.00 20.00 H new ATOM 0 HD13 LEU A 37 29.692 21.899 10.340 1.00 20.00 H new ATOM 0 HD21 LEU A 37 27.744 23.798 11.704 1.00 20.00 H new ATOM 0 HD22 LEU A 37 27.243 22.266 10.949 1.00 20.00 H new ATOM 0 HD23 LEU A 37 26.814 22.606 12.643 1.00 20.00 H new ATOM 20 N THR A 38 31.183 21.323 14.438 1.00 20.00 N ATOM 21 CA THR A 38 31.552 22.120 15.606 1.00 20.00 C ATOM 22 C THR A 38 31.273 23.603 15.327 1.00 20.00 C ATOM 23 O THR A 38 31.294 24.046 14.177 1.00 20.00 O ATOM 24 CB THR A 38 33.020 21.853 15.990 1.00 20.00 C ATOM 25 OG1 THR A 38 33.329 22.498 17.207 1.00 20.00 O ATOM 26 CG2 THR A 38 34.033 22.300 14.924 1.00 20.00 C ATOM 0 H THR A 38 31.618 21.661 13.579 1.00 20.00 H new ATOM 0 HA THR A 38 30.945 21.830 16.463 1.00 20.00 H new ATOM 0 HB THR A 38 33.108 20.771 16.085 1.00 20.00 H new ATOM 0 HG1 THR A 38 34.263 22.321 17.443 1.00 20.00 H new ATOM 0 HG21 THR A 38 35.044 22.079 15.267 1.00 20.00 H new ATOM 0 HG22 THR A 38 33.841 21.766 13.993 1.00 20.00 H new ATOM 0 HG23 THR A 38 33.934 23.372 14.755 1.00 20.00 H new ATOM 34 N GLY A 39 31.032 24.368 16.398 1.00 20.00 N ATOM 35 CA GLY A 39 30.717 25.786 16.323 1.00 20.00 C ATOM 36 C GLY A 39 30.278 26.352 17.669 1.00 20.00 C ATOM 37 O GLY A 39 30.949 27.244 18.187 1.00 20.00 O ATOM 0 H GLY A 39 31.052 24.007 17.352 1.00 20.00 H new ATOM 0 HA2 GLY A 39 31.591 26.332 15.969 1.00 20.00 H new ATOM 0 HA3 GLY A 39 29.926 25.942 15.590 1.00 20.00 H new ATOM 41 N CYS A 40 29.160 25.841 18.216 1.00 20.00 N ATOM 42 CA CYS A 40 28.530 26.333 19.443 1.00 20.00 C ATOM 43 C CYS A 40 29.516 26.285 20.622 1.00 20.00 C ATOM 44 O CYS A 40 30.095 27.311 20.987 1.00 20.00 O ATOM 45 CB CYS A 40 27.240 25.545 19.726 1.00 20.00 C ATOM 46 SG CYS A 40 26.250 26.221 21.086 1.00 20.00 S ATOM 0 H CYS A 40 28.661 25.054 17.802 1.00 20.00 H new ATOM 0 HA CYS A 40 28.253 27.379 19.309 1.00 20.00 H new ATOM 0 HB2 CYS A 40 26.632 25.526 18.822 1.00 20.00 H new ATOM 0 HB3 CYS A 40 27.500 24.512 19.957 1.00 20.00 H new ATOM 51 N LYS A 41 29.737 25.082 21.176 1.00 20.00 N ATOM 52 CA LYS A 41 30.745 24.782 22.184 1.00 20.00 C ATOM 53 C LYS A 41 32.181 24.868 21.630 1.00 20.00 C ATOM 54 O LYS A 41 33.130 24.988 22.408 1.00 20.00 O ATOM 55 CB LYS A 41 30.400 23.391 22.742 1.00 20.00 C ATOM 56 CG LYS A 41 31.319 22.961 23.889 1.00 20.00 C ATOM 57 CD LYS A 41 30.776 21.752 24.668 1.00 20.00 C ATOM 58 CE LYS A 41 29.532 22.078 25.506 1.00 20.00 C ATOM 59 NZ LYS A 41 29.822 23.062 26.566 1.00 20.00 N ATOM 0 H LYS A 41 29.189 24.262 20.916 1.00 20.00 H new ATOM 0 HA LYS A 41 30.727 25.526 22.981 1.00 20.00 H new ATOM 0 HB2 LYS A 41 29.368 23.392 23.092 1.00 20.00 H new ATOM 0 HB3 LYS A 41 30.464 22.657 21.938 1.00 20.00 H new ATOM 0 HG2 LYS A 41 32.303 22.717 23.488 1.00 20.00 H new ATOM 0 HG3 LYS A 41 31.453 23.798 24.574 1.00 20.00 H new ATOM 0 HD2 LYS A 41 30.533 20.955 23.965 1.00 20.00 H new ATOM 0 HD3 LYS A 41 31.558 21.371 25.325 1.00 20.00 H new ATOM 0 HE2 LYS A 41 28.748 22.466 24.856 1.00 20.00 H new ATOM 0 HE3 LYS A 41 29.148 21.163 25.956 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 29.138 22.949 27.341 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 30.784 22.908 26.929 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 29.749 24.024 26.177 1.00 20.00 H new ATOM 73 N GLY A 42 32.335 24.887 20.294 1.00 20.00 N ATOM 74 CA GLY A 42 33.602 25.095 19.599 1.00 20.00 C ATOM 75 C GLY A 42 34.220 26.484 19.813 1.00 20.00 C ATOM 76 O GLY A 42 35.387 26.671 19.469 1.00 20.00 O ATOM 0 H GLY A 42 31.551 24.753 19.655 1.00 20.00 H new ATOM 0 HA2 GLY A 42 34.313 24.339 19.931 1.00 20.00 H new ATOM 0 HA3 GLY A 42 33.447 24.940 18.531 1.00 20.00 H new ATOM 80 N LYS A 43 33.470 27.433 20.402 1.00 20.00 N ATOM 81 CA LYS A 43 33.915 28.796 20.697 1.00 20.00 C ATOM 82 C LYS A 43 33.704 29.137 22.175 1.00 20.00 C ATOM 83 O LYS A 43 34.664 29.516 22.843 1.00 20.00 O ATOM 84 CB LYS A 43 33.191 29.810 19.791 1.00 20.00 C ATOM 85 CG LYS A 43 33.507 29.607 18.301 1.00 20.00 C ATOM 86 CD LYS A 43 32.783 30.655 17.444 1.00 20.00 C ATOM 87 CE LYS A 43 33.035 30.449 15.946 1.00 20.00 C ATOM 88 NZ LYS A 43 32.434 29.194 15.450 1.00 20.00 N ATOM 0 H LYS A 43 32.508 27.261 20.693 1.00 20.00 H new ATOM 0 HA LYS A 43 34.984 28.855 20.491 1.00 20.00 H new ATOM 0 HB2 LYS A 43 32.115 29.725 19.945 1.00 20.00 H new ATOM 0 HB3 LYS A 43 33.476 30.821 20.084 1.00 20.00 H new ATOM 0 HG2 LYS A 43 34.583 29.678 18.139 1.00 20.00 H new ATOM 0 HG3 LYS A 43 33.204 28.606 17.993 1.00 20.00 H new ATOM 0 HD2 LYS A 43 31.712 30.607 17.641 1.00 20.00 H new ATOM 0 HD3 LYS A 43 33.116 31.652 17.733 1.00 20.00 H new ATOM 0 HE2 LYS A 43 32.624 31.292 15.390 1.00 20.00 H new ATOM 0 HE3 LYS A 43 34.109 30.436 15.758 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 32.494 29.167 14.412 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 32.948 28.382 15.848 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 31.436 29.148 15.740 1.00 20.00 H new ATOM 102 N GLY A 44 32.467 29.030 22.685 1.00 20.00 N ATOM 103 CA GLY A 44 32.121 29.450 24.044 1.00 20.00 C ATOM 104 C GLY A 44 30.699 29.104 24.502 1.00 20.00 C ATOM 105 O GLY A 44 30.283 29.588 25.554 1.00 20.00 O ATOM 0 H GLY A 44 31.679 28.648 22.162 1.00 20.00 H new ATOM 0 HA2 GLY A 44 32.828 28.994 24.737 1.00 20.00 H new ATOM 0 HA3 GLY A 44 32.254 30.529 24.117 1.00 20.00 H new ATOM 109 N GLY A 45 29.953 28.299 23.732 1.00 20.00 N ATOM 110 CA GLY A 45 28.570 27.935 24.010 1.00 20.00 C ATOM 111 C GLY A 45 28.444 26.680 24.875 1.00 20.00 C ATOM 112 O GLY A 45 29.425 25.999 25.181 1.00 20.00 O ATOM 0 H GLY A 45 30.312 27.875 22.876 1.00 20.00 H new ATOM 0 HA2 GLY A 45 28.075 28.767 24.512 1.00 20.00 H new ATOM 0 HA3 GLY A 45 28.046 27.774 23.068 1.00 20.00 H new ATOM 116 N GLU A 46 27.197 26.379 25.253 1.00 20.00 N ATOM 117 CA GLU A 46 26.823 25.233 26.072 1.00 20.00 C ATOM 118 C GLU A 46 25.568 24.567 25.510 1.00 20.00 C ATOM 119 O GLU A 46 24.661 25.230 24.998 1.00 20.00 O ATOM 120 CB GLU A 46 26.596 25.660 27.532 1.00 20.00 C ATOM 121 CG GLU A 46 27.904 26.017 28.248 1.00 20.00 C ATOM 122 CD GLU A 46 27.655 26.439 29.696 1.00 20.00 C ATOM 123 OE1 GLU A 46 27.193 27.585 29.893 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.937 25.620 30.599 1.00 20.00 O ATOM 0 H GLU A 46 26.396 26.950 24.985 1.00 20.00 H new ATOM 0 HA GLU A 46 27.640 24.512 26.050 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.926 26.519 27.556 1.00 20.00 H new ATOM 0 HB3 GLU A 46 26.099 24.853 28.070 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.576 25.159 28.229 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.403 26.825 27.713 1.00 20.00 H new ATOM 131 N CYS A 47 25.529 23.238 25.650 1.00 20.00 N ATOM 132 CA CYS A 47 24.436 22.381 25.221 1.00 20.00 C ATOM 133 C CYS A 47 23.369 22.336 26.316 1.00 20.00 C ATOM 134 O CYS A 47 23.331 21.412 27.129 1.00 20.00 O ATOM 135 CB CYS A 47 24.997 21.001 24.862 1.00 20.00 C ATOM 136 SG CYS A 47 26.096 21.020 23.421 1.00 20.00 S ATOM 0 H CYS A 47 26.291 22.716 26.083 1.00 20.00 H new ATOM 0 HA CYS A 47 23.952 22.773 24.327 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.542 20.605 25.719 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.168 20.320 24.668 1.00 20.00 H new ATOM 141 N ASN A 48 22.517 23.368 26.333 1.00 20.00 N ATOM 142 CA ASN A 48 21.380 23.515 27.236 1.00 20.00 C ATOM 143 C ASN A 48 20.234 22.583 26.798 1.00 20.00 C ATOM 144 O ASN A 48 20.171 22.208 25.626 1.00 20.00 O ATOM 145 CB ASN A 48 20.915 24.983 27.212 1.00 20.00 C ATOM 146 CG ASN A 48 21.797 25.915 28.047 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.359 26.426 29.074 1.00 20.00 O ATOM 148 ND2 ASN A 48 23.036 26.157 27.623 1.00 20.00 N ATOM 0 H ASN A 48 22.609 24.154 25.689 1.00 20.00 H new ATOM 0 HA ASN A 48 21.674 23.242 28.249 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.902 25.335 26.181 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.891 25.038 27.581 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.645 26.779 28.155 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.376 25.720 26.766 1.00 20.00 H new ATOM 155 N PRO A 49 19.296 22.228 27.699 1.00 20.00 N ATOM 156 CA PRO A 49 18.148 21.399 27.346 1.00 20.00 C ATOM 157 C PRO A 49 17.187 22.158 26.423 1.00 20.00 C ATOM 158 O PRO A 49 17.193 23.388 26.368 1.00 20.00 O ATOM 159 CB PRO A 49 17.494 21.019 28.678 1.00 20.00 C ATOM 160 CG PRO A 49 17.868 22.177 29.600 1.00 20.00 C ATOM 161 CD PRO A 49 19.258 22.581 29.111 1.00 20.00 C ATOM 0 HA PRO A 49 18.440 20.509 26.789 1.00 20.00 H new ATOM 0 HB2 PRO A 49 16.413 20.917 28.580 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.872 20.068 29.054 1.00 20.00 H new ATOM 0 HG2 PRO A 49 17.158 23.000 29.520 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.883 21.870 30.646 1.00 20.00 H new ATOM 0 HD2 PRO A 49 19.428 23.648 29.253 1.00 20.00 H new ATOM 0 HD3 PRO A 49 20.036 22.058 29.667 1.00 20.00 H new ATOM 169 N LEU A 50 16.339 21.403 25.716 1.00 20.00 N ATOM 170 CA LEU A 50 15.340 21.922 24.779 1.00 20.00 C ATOM 171 C LEU A 50 14.309 22.811 25.488 1.00 20.00 C ATOM 172 O LEU A 50 13.829 23.783 24.907 1.00 20.00 O ATOM 173 CB LEU A 50 14.628 20.737 24.110 1.00 20.00 C ATOM 174 CG LEU A 50 15.567 19.793 23.330 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.863 18.445 23.151 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.988 20.369 21.974 1.00 20.00 C ATOM 0 H LEU A 50 16.330 20.385 25.783 1.00 20.00 H new ATOM 0 HA LEU A 50 15.847 22.534 24.033 1.00 20.00 H new ATOM 0 HB2 LEU A 50 14.107 20.162 24.875 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.869 21.121 23.428 1.00 20.00 H new ATOM 0 HG LEU A 50 16.485 19.669 23.904 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.513 17.765 22.601 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.637 18.020 24.129 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.936 18.589 22.596 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.648 19.664 21.468 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.103 20.542 21.361 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.513 21.312 22.126 1.00 20.00 H new ATOM 188 N ASP A 51 14.009 22.488 26.754 1.00 20.00 N ATOM 189 CA ASP A 51 13.124 23.230 27.655 1.00 20.00 C ATOM 190 C ASP A 51 13.634 24.643 28.002 1.00 20.00 C ATOM 191 O ASP A 51 12.845 25.461 28.479 1.00 20.00 O ATOM 192 CB ASP A 51 12.955 22.430 28.962 1.00 20.00 C ATOM 193 CG ASP A 51 12.179 21.120 28.789 1.00 20.00 C ATOM 194 OD1 ASP A 51 11.102 21.005 29.416 1.00 20.00 O ATOM 195 OD2 ASP A 51 12.676 20.232 28.060 1.00 20.00 O ATOM 0 H ASP A 51 14.400 21.657 27.198 1.00 20.00 H new ATOM 0 HA ASP A 51 12.177 23.355 27.130 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.941 22.206 29.370 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.440 23.052 29.694 1.00 20.00 H new ATOM 200 N ARG A 52 14.927 24.935 27.784 1.00 20.00 N ATOM 201 CA ARG A 52 15.556 26.207 28.130 1.00 20.00 C ATOM 202 C ARG A 52 15.031 27.347 27.254 1.00 20.00 C ATOM 203 O ARG A 52 15.147 27.295 26.027 1.00 20.00 O ATOM 204 CB ARG A 52 17.075 26.103 28.005 1.00 20.00 C ATOM 205 CG ARG A 52 17.759 27.298 28.683 1.00 20.00 C ATOM 206 CD ARG A 52 17.522 27.322 30.205 1.00 20.00 C ATOM 207 NE ARG A 52 16.379 28.149 30.627 1.00 20.00 N ATOM 208 CZ ARG A 52 16.318 29.487 30.666 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.330 30.258 30.268 1.00 20.00 N ATOM 210 NH2 ARG A 52 15.207 30.065 31.116 1.00 20.00 N ATOM 0 H ARG A 52 15.573 24.274 27.352 1.00 20.00 H new ATOM 0 HA ARG A 52 15.300 26.433 29.165 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.419 25.174 28.460 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.356 26.066 26.953 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.830 27.261 28.485 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.386 28.224 28.245 1.00 20.00 H new ATOM 0 HD2 ARG A 52 17.365 26.301 30.553 1.00 20.00 H new ATOM 0 HD3 ARG A 52 18.423 27.691 30.696 1.00 20.00 H new ATOM 0 HE ARG A 52 15.541 27.648 30.922 1.00 20.00 H new ATOM 0 HH11 ARG A 52 18.189 29.832 29.919 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.246 31.274 30.313 1.00 20.00 H new ATOM 0 HH21 ARG A 52 14.422 29.491 31.423 1.00 20.00 H new ATOM 0 HH22 ARG A 52 15.141 31.082 31.154 1.00 20.00 H new ATOM 224 N GLN A 53 14.506 28.392 27.906 1.00 20.00 N ATOM 225 CA GLN A 53 14.070 29.631 27.271 1.00 20.00 C ATOM 226 C GLN A 53 15.281 30.526 26.956 1.00 20.00 C ATOM 227 O GLN A 53 15.601 31.467 27.686 1.00 20.00 O ATOM 228 CB GLN A 53 13.009 30.346 28.131 1.00 20.00 C ATOM 229 CG GLN A 53 11.702 29.549 28.283 1.00 20.00 C ATOM 230 CD GLN A 53 10.958 29.374 26.958 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.046 28.330 26.317 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.217 30.395 26.535 1.00 20.00 N ATOM 0 H GLN A 53 14.371 28.394 28.917 1.00 20.00 H new ATOM 0 HA GLN A 53 13.591 29.394 26.321 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.425 30.539 29.120 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.784 31.315 27.685 1.00 20.00 H new ATOM 0 HG2 GLN A 53 11.927 28.568 28.701 1.00 20.00 H new ATOM 0 HG3 GLN A 53 11.052 30.058 28.995 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.163 31.250 27.089 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.703 30.323 25.657 1.00 20.00 H new ATOM 241 N CYS A 54 15.939 30.210 25.836 1.00 20.00 N ATOM 242 CA CYS A 54 16.946 31.010 25.147 1.00 20.00 C ATOM 243 C CYS A 54 16.892 30.699 23.641 1.00 20.00 C ATOM 244 O CYS A 54 16.026 29.945 23.190 1.00 20.00 O ATOM 245 CB CYS A 54 18.342 30.760 25.747 1.00 20.00 C ATOM 246 SG CYS A 54 18.931 29.048 25.717 1.00 20.00 S ATOM 0 H CYS A 54 15.767 29.326 25.357 1.00 20.00 H new ATOM 0 HA CYS A 54 16.735 32.071 25.283 1.00 20.00 H new ATOM 0 HB2 CYS A 54 19.061 31.379 25.211 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.336 31.102 26.782 1.00 20.00 H new ATOM 251 N LYS A 55 17.815 31.278 22.860 1.00 20.00 N ATOM 252 CA LYS A 55 17.947 31.021 21.427 1.00 20.00 C ATOM 253 C LYS A 55 18.220 29.530 21.160 1.00 20.00 C ATOM 254 O LYS A 55 18.739 28.818 22.021 1.00 20.00 O ATOM 255 CB LYS A 55 19.061 31.927 20.878 1.00 20.00 C ATOM 256 CG LYS A 55 19.206 31.886 19.346 1.00 20.00 C ATOM 257 CD LYS A 55 20.222 32.915 18.827 1.00 20.00 C ATOM 258 CE LYS A 55 19.713 34.360 18.881 1.00 20.00 C ATOM 259 NZ LYS A 55 18.630 34.600 17.911 1.00 20.00 N ATOM 0 H LYS A 55 18.498 31.947 23.215 1.00 20.00 H new ATOM 0 HA LYS A 55 17.016 31.255 20.911 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.865 32.954 21.186 1.00 20.00 H new ATOM 0 HB3 LYS A 55 20.009 31.634 21.330 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.516 30.887 19.040 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.236 32.074 18.887 1.00 20.00 H new ATOM 0 HD2 LYS A 55 21.137 32.839 19.415 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.483 32.669 17.798 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.355 34.581 19.886 1.00 20.00 H new ATOM 0 HE3 LYS A 55 20.538 35.043 18.679 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 18.419 35.618 17.871 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.927 34.271 16.970 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.778 34.081 18.206 1.00 20.00 H new ATOM 273 N GLU A 56 17.857 29.072 19.956 1.00 20.00 N ATOM 274 CA GLU A 56 18.022 27.706 19.482 1.00 20.00 C ATOM 275 C GLU A 56 18.352 27.730 17.989 1.00 20.00 C ATOM 276 O GLU A 56 17.516 28.111 17.170 1.00 20.00 O ATOM 277 CB GLU A 56 16.749 26.907 19.802 1.00 20.00 C ATOM 278 CG GLU A 56 16.786 25.463 19.281 1.00 20.00 C ATOM 279 CD GLU A 56 15.567 24.641 19.713 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.125 24.796 20.873 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.093 23.842 18.874 1.00 20.00 O ATOM 0 H GLU A 56 17.421 29.676 19.259 1.00 20.00 H new ATOM 0 HA GLU A 56 18.851 27.210 19.987 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.601 26.892 20.882 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.890 27.419 19.369 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.842 25.476 18.192 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.692 24.976 19.640 1.00 20.00 H new ATOM 288 N LEU A 57 19.584 27.326 17.656 1.00 20.00 N ATOM 289 CA LEU A 57 20.083 27.123 16.298 1.00 20.00 C ATOM 290 C LEU A 57 19.458 25.852 15.692 1.00 20.00 C ATOM 291 O LEU A 57 18.754 25.106 16.377 1.00 20.00 O ATOM 292 CB LEU A 57 21.627 27.032 16.347 1.00 20.00 C ATOM 293 CG LEU A 57 22.403 28.360 16.533 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.387 29.217 15.260 1.00 20.00 C ATOM 295 CD2 LEU A 57 21.953 29.215 17.727 1.00 20.00 C ATOM 0 H LEU A 57 20.291 27.123 18.363 1.00 20.00 H new ATOM 0 HA LEU A 57 19.801 27.960 15.660 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.901 26.362 17.162 1.00 20.00 H new ATOM 0 HB3 LEU A 57 21.969 26.566 15.423 1.00 20.00 H new ATOM 0 HG LEU A 57 23.420 28.034 16.751 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.942 30.138 15.435 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.850 28.664 14.443 1.00 20.00 H new ATOM 0 HD13 LEU A 57 21.357 29.458 14.997 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.555 30.122 17.772 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.903 29.482 17.608 1.00 20.00 H new ATOM 0 HD23 LEU A 57 22.081 28.648 18.649 1.00 20.00 H new ATOM 307 N GLN A 58 19.732 25.597 14.405 1.00 20.00 N ATOM 308 CA GLN A 58 19.242 24.423 13.680 1.00 20.00 C ATOM 309 C GLN A 58 20.392 23.547 13.173 1.00 20.00 C ATOM 310 O GLN A 58 20.380 22.337 13.406 1.00 20.00 O ATOM 311 CB GLN A 58 18.239 24.839 12.586 1.00 20.00 C ATOM 312 CG GLN A 58 18.811 25.697 11.446 1.00 20.00 C ATOM 313 CD GLN A 58 17.713 26.226 10.522 1.00 20.00 C ATOM 314 OE1 GLN A 58 16.873 25.475 10.034 1.00 20.00 O ATOM 315 NE2 GLN A 58 17.716 27.529 10.251 1.00 20.00 N ATOM 0 H GLN A 58 20.310 26.212 13.832 1.00 20.00 H new ATOM 0 HA GLN A 58 18.690 23.788 14.373 1.00 20.00 H new ATOM 0 HB2 GLN A 58 17.806 23.937 12.154 1.00 20.00 H new ATOM 0 HB3 GLN A 58 17.425 25.390 13.057 1.00 20.00 H new ATOM 0 HG2 GLN A 58 19.366 26.535 11.867 1.00 20.00 H new ATOM 0 HG3 GLN A 58 19.519 25.105 10.866 1.00 20.00 H new ATOM 0 HE21 GLN A 58 18.423 28.135 10.667 1.00 20.00 H new ATOM 0 HE22 GLN A 58 17.011 27.922 9.627 1.00 20.00 H new ATOM 324 N ALA A 59 21.397 24.152 12.527 1.00 20.00 N ATOM 325 CA ALA A 59 22.603 23.458 12.084 1.00 20.00 C ATOM 326 C ALA A 59 23.609 23.306 13.234 1.00 20.00 C ATOM 327 O ALA A 59 24.249 22.261 13.347 1.00 20.00 O ATOM 328 CB ALA A 59 23.222 24.224 10.911 1.00 20.00 C ATOM 0 H ALA A 59 21.391 25.146 12.297 1.00 20.00 H new ATOM 0 HA ALA A 59 22.335 22.454 11.756 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.123 23.710 10.576 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.506 24.273 10.090 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.478 25.234 11.231 1.00 20.00 H new ATOM 334 N GLU A 60 23.731 24.330 14.095 1.00 20.00 N ATOM 335 CA GLU A 60 24.662 24.333 15.224 1.00 20.00 C ATOM 336 C GLU A 60 24.133 23.530 16.423 1.00 20.00 C ATOM 337 O GLU A 60 24.927 23.051 17.230 1.00 20.00 O ATOM 338 CB GLU A 60 24.953 25.779 15.659 1.00 20.00 C ATOM 339 CG GLU A 60 26.411 25.982 16.089 1.00 20.00 C ATOM 340 CD GLU A 60 27.330 26.219 14.892 1.00 20.00 C ATOM 341 OE1 GLU A 60 27.674 25.227 14.215 1.00 20.00 O ATOM 342 OE2 GLU A 60 27.681 27.397 14.662 1.00 20.00 O ATOM 0 H GLU A 60 23.179 25.184 14.022 1.00 20.00 H new ATOM 0 HA GLU A 60 25.579 23.851 14.886 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.723 26.456 14.836 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.294 26.046 16.485 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.474 26.832 16.769 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.752 25.106 16.641 1.00 20.00 H new ATOM 349 N SER A 61 22.807 23.356 16.535 1.00 20.00 N ATOM 350 CA SER A 61 22.160 22.524 17.543 1.00 20.00 C ATOM 351 C SER A 61 22.500 21.035 17.370 1.00 20.00 C ATOM 352 O SER A 61 22.587 20.317 18.365 1.00 20.00 O ATOM 353 CB SER A 61 20.650 22.761 17.451 1.00 20.00 C ATOM 354 OG SER A 61 19.952 21.936 18.349 1.00 20.00 O ATOM 0 H SER A 61 22.143 23.806 15.905 1.00 20.00 H new ATOM 0 HA SER A 61 22.527 22.802 18.531 1.00 20.00 H new ATOM 0 HB2 SER A 61 20.429 23.806 17.666 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.310 22.566 16.434 1.00 20.00 H new ATOM 0 HG SER A 61 18.990 22.108 18.271 1.00 20.00 H new ATOM 360 N ALA A 62 22.735 20.583 16.128 1.00 20.00 N ATOM 361 CA ALA A 62 23.168 19.220 15.831 1.00 20.00 C ATOM 362 C ALA A 62 24.600 18.919 16.311 1.00 20.00 C ATOM 363 O ALA A 62 24.952 17.745 16.425 1.00 20.00 O ATOM 364 CB ALA A 62 23.041 18.978 14.324 1.00 20.00 C ATOM 0 H ALA A 62 22.627 21.165 15.297 1.00 20.00 H new ATOM 0 HA ALA A 62 22.521 18.538 16.382 1.00 20.00 H new ATOM 0 HB1 ALA A 62 23.362 17.963 14.090 1.00 20.00 H new ATOM 0 HB2 ALA A 62 22.002 19.109 14.021 1.00 20.00 H new ATOM 0 HB3 ALA A 62 23.668 19.689 13.787 1.00 20.00 H new ATOM 370 N SER A 63 25.404 19.948 16.637 1.00 20.00 N ATOM 371 CA SER A 63 26.730 19.786 17.239 1.00 20.00 C ATOM 372 C SER A 63 26.635 19.201 18.659 1.00 20.00 C ATOM 373 O SER A 63 27.518 18.446 19.062 1.00 20.00 O ATOM 374 CB SER A 63 27.481 21.126 17.284 1.00 20.00 C ATOM 375 OG SER A 63 27.582 21.719 16.005 1.00 20.00 O ATOM 0 H SER A 63 25.144 20.923 16.486 1.00 20.00 H new ATOM 0 HA SER A 63 27.284 19.088 16.612 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.966 21.808 17.960 1.00 20.00 H new ATOM 0 HB3 SER A 63 28.480 20.968 17.691 1.00 20.00 H new ATOM 0 HG SER A 63 28.064 22.569 16.076 1.00 20.00 H new ATOM 381 N CYS A 64 25.553 19.512 19.394 1.00 20.00 N ATOM 382 CA CYS A 64 25.228 18.951 20.705 1.00 20.00 C ATOM 383 C CYS A 64 24.672 17.517 20.641 1.00 20.00 C ATOM 384 O CYS A 64 24.537 16.876 21.683 1.00 20.00 O ATOM 385 CB CYS A 64 24.199 19.861 21.381 1.00 20.00 C ATOM 386 SG CYS A 64 24.839 21.480 21.880 1.00 20.00 S ATOM 0 H CYS A 64 24.859 20.187 19.074 1.00 20.00 H new ATOM 0 HA CYS A 64 26.157 18.898 21.273 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.362 20.010 20.699 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.807 19.353 22.262 1.00 20.00 H new ATOM 391 N GLY A 65 24.355 17.019 19.439 1.00 20.00 N ATOM 392 CA GLY A 65 23.804 15.694 19.192 1.00 20.00 C ATOM 393 C GLY A 65 22.281 15.739 19.199 1.00 20.00 C ATOM 394 O GLY A 65 21.676 16.389 18.347 1.00 20.00 O ATOM 0 H GLY A 65 24.483 17.556 18.581 1.00 20.00 H new ATOM 0 HA2 GLY A 65 24.158 15.320 18.231 1.00 20.00 H new ATOM 0 HA3 GLY A 65 24.157 14.999 19.954 1.00 20.00 H new ATOM 398 N LYS A 66 21.685 15.047 20.176 1.00 20.00 N ATOM 399 CA LYS A 66 20.250 14.994 20.433 1.00 20.00 C ATOM 400 C LYS A 66 19.938 15.240 21.915 1.00 20.00 C ATOM 401 O LYS A 66 20.792 15.057 22.785 1.00 20.00 O ATOM 402 CB LYS A 66 19.686 13.653 19.932 1.00 20.00 C ATOM 403 CG LYS A 66 20.235 12.407 20.654 1.00 20.00 C ATOM 404 CD LYS A 66 19.624 11.126 20.069 1.00 20.00 C ATOM 405 CE LYS A 66 20.223 9.856 20.684 1.00 20.00 C ATOM 406 NZ LYS A 66 19.786 9.644 22.075 1.00 20.00 N ATOM 0 H LYS A 66 22.219 14.484 20.838 1.00 20.00 H new ATOM 0 HA LYS A 66 19.759 15.796 19.882 1.00 20.00 H new ATOM 0 HB2 LYS A 66 18.601 13.669 20.040 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.899 13.561 18.867 1.00 20.00 H new ATOM 0 HG2 LYS A 66 21.320 12.374 20.559 1.00 20.00 H new ATOM 0 HG3 LYS A 66 20.010 12.469 21.719 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.547 11.133 20.235 1.00 20.00 H new ATOM 0 HD3 LYS A 66 19.781 11.112 18.990 1.00 20.00 H new ATOM 0 HE2 LYS A 66 19.937 8.994 20.081 1.00 20.00 H new ATOM 0 HE3 LYS A 66 21.311 9.919 20.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 20.218 8.774 22.446 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 20.081 10.453 22.659 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 18.750 9.556 22.104 1.00 20.00 H new ATOM 420 N GLY A 67 18.693 15.656 22.186 1.00 20.00 N ATOM 421 CA GLY A 67 18.166 15.953 23.517 1.00 20.00 C ATOM 422 C GLY A 67 18.594 17.314 24.088 1.00 20.00 C ATOM 423 O GLY A 67 17.944 17.799 25.014 1.00 20.00 O ATOM 0 H GLY A 67 18.001 15.799 21.451 1.00 20.00 H new ATOM 0 HA2 GLY A 67 17.077 15.917 23.478 1.00 20.00 H new ATOM 0 HA3 GLY A 67 18.487 15.169 24.203 1.00 20.00 H new ATOM 427 N GLN A 68 19.642 17.937 23.527 1.00 20.00 N ATOM 428 CA GLN A 68 20.161 19.258 23.886 1.00 20.00 C ATOM 429 C GLN A 68 20.306 20.113 22.615 1.00 20.00 C ATOM 430 O GLN A 68 20.315 19.587 21.502 1.00 20.00 O ATOM 431 CB GLN A 68 21.532 19.140 24.586 1.00 20.00 C ATOM 432 CG GLN A 68 21.634 18.155 25.764 1.00 20.00 C ATOM 433 CD GLN A 68 20.757 18.505 26.966 1.00 20.00 C ATOM 434 OE1 GLN A 68 19.778 17.825 27.253 1.00 20.00 O ATOM 435 NE2 GLN A 68 21.117 19.544 27.712 1.00 20.00 N ATOM 0 H GLN A 68 20.175 17.507 22.771 1.00 20.00 H new ATOM 0 HA GLN A 68 19.461 19.730 24.575 1.00 20.00 H new ATOM 0 HB2 GLN A 68 22.270 18.851 23.838 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.814 20.129 24.946 1.00 20.00 H new ATOM 0 HG2 GLN A 68 21.364 17.159 25.412 1.00 20.00 H new ATOM 0 HG3 GLN A 68 22.673 18.107 26.091 1.00 20.00 H new ATOM 0 HE21 GLN A 68 21.935 20.097 27.456 1.00 20.00 H new ATOM 0 HE22 GLN A 68 20.575 19.789 28.541 1.00 20.00 H new ATOM 444 N LYS A 69 20.454 21.433 22.790 1.00 20.00 N ATOM 445 CA LYS A 69 20.580 22.423 21.721 1.00 20.00 C ATOM 446 C LYS A 69 21.516 23.570 22.124 1.00 20.00 C ATOM 447 O LYS A 69 21.839 23.738 23.301 1.00 20.00 O ATOM 448 CB LYS A 69 19.180 22.912 21.301 1.00 20.00 C ATOM 449 CG LYS A 69 18.242 23.456 22.395 1.00 20.00 C ATOM 450 CD LYS A 69 18.519 24.897 22.831 1.00 20.00 C ATOM 451 CE LYS A 69 17.361 25.375 23.710 1.00 20.00 C ATOM 452 NZ LYS A 69 17.456 26.813 23.996 1.00 20.00 N ATOM 0 H LYS A 69 20.490 21.853 23.719 1.00 20.00 H new ATOM 0 HA LYS A 69 21.043 21.956 20.852 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.311 23.695 20.554 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.672 22.083 20.808 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.215 23.393 22.035 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.314 22.808 23.269 1.00 20.00 H new ATOM 0 HD2 LYS A 69 19.458 24.951 23.381 1.00 20.00 H new ATOM 0 HD3 LYS A 69 18.623 25.542 21.959 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.415 25.164 23.212 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.360 24.817 24.646 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.552 27.150 24.384 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 18.214 26.980 24.689 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 17.670 27.328 23.118 1.00 20.00 H new ATOM 466 N CYS A 70 21.948 24.366 21.133 1.00 20.00 N ATOM 467 CA CYS A 70 22.830 25.512 21.344 1.00 20.00 C ATOM 468 C CYS A 70 22.055 26.673 21.984 1.00 20.00 C ATOM 469 O CYS A 70 20.881 26.872 21.678 1.00 20.00 O ATOM 470 CB CYS A 70 23.436 25.933 19.999 1.00 20.00 C ATOM 471 SG CYS A 70 24.734 27.193 20.128 1.00 20.00 S ATOM 0 H CYS A 70 21.689 24.226 20.156 1.00 20.00 H new ATOM 0 HA CYS A 70 23.634 25.234 22.025 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.849 25.052 19.508 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.640 26.312 19.358 1.00 20.00 H new ATOM 476 N CYS A 71 22.727 27.442 22.851 1.00 20.00 N ATOM 477 CA CYS A 71 22.162 28.560 23.604 1.00 20.00 C ATOM 478 C CYS A 71 23.212 29.667 23.774 1.00 20.00 C ATOM 479 O CYS A 71 24.415 29.396 23.811 1.00 20.00 O ATOM 480 CB CYS A 71 21.710 28.017 24.965 1.00 20.00 C ATOM 481 SG CYS A 71 20.921 29.147 26.148 1.00 20.00 S ATOM 0 H CYS A 71 23.716 27.294 23.052 1.00 20.00 H new ATOM 0 HA CYS A 71 21.314 28.995 23.076 1.00 20.00 H new ATOM 0 HB2 CYS A 71 21.014 27.199 24.778 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.584 27.587 25.454 1.00 20.00 H new ATOM 486 N VAL A 72 22.742 30.915 23.897 1.00 20.00 N ATOM 487 CA VAL A 72 23.546 32.121 24.121 1.00 20.00 C ATOM 488 C VAL A 72 24.194 32.135 25.512 1.00 20.00 C ATOM 489 O VAL A 72 23.932 31.280 26.359 1.00 20.00 O ATOM 490 CB VAL A 72 22.683 33.389 23.920 1.00 20.00 C ATOM 491 CG1 VAL A 72 22.299 33.559 22.444 1.00 20.00 C ATOM 492 CG2 VAL A 72 21.429 33.366 24.815 1.00 20.00 C ATOM 0 H VAL A 72 21.744 31.120 23.840 1.00 20.00 H new ATOM 0 HA VAL A 72 24.351 32.113 23.386 1.00 20.00 H new ATOM 0 HB VAL A 72 23.284 34.248 24.218 1.00 20.00 H new ATOM 0 HG11 VAL A 72 21.692 34.457 22.327 1.00 20.00 H new ATOM 0 HG12 VAL A 72 23.203 33.650 21.841 1.00 20.00 H new ATOM 0 HG13 VAL A 72 21.729 32.691 22.114 1.00 20.00 H new ATOM 0 HG21 VAL A 72 20.846 34.272 24.648 1.00 20.00 H new ATOM 0 HG22 VAL A 72 20.823 32.494 24.570 1.00 20.00 H new ATOM 0 HG23 VAL A 72 21.730 33.316 25.861 1.00 20.00 H new ATOM 502 N TRP A 73 25.024 33.159 25.734 1.00 20.00 N ATOM 503 CA TRP A 73 25.776 33.410 26.957 1.00 20.00 C ATOM 504 C TRP A 73 25.472 34.792 27.560 1.00 20.00 C ATOM 505 O TRP A 73 25.621 34.941 28.772 1.00 20.00 O ATOM 506 CB TRP A 73 27.270 33.237 26.650 1.00 20.00 C ATOM 507 CG TRP A 73 27.748 33.831 25.353 1.00 20.00 C ATOM 508 CD1 TRP A 73 27.844 35.148 25.077 1.00 20.00 C ATOM 509 CD2 TRP A 73 28.144 33.149 24.125 1.00 20.00 C ATOM 510 NE1 TRP A 73 28.289 35.333 23.786 1.00 20.00 N ATOM 511 CE2 TRP A 73 28.516 34.128 23.157 1.00 20.00 C ATOM 512 CE3 TRP A 73 28.209 31.797 23.725 1.00 20.00 C ATOM 513 CZ2 TRP A 73 28.982 33.783 21.879 1.00 20.00 C ATOM 514 CZ3 TRP A 73 28.668 31.437 22.445 1.00 20.00 C ATOM 515 CH2 TRP A 73 29.067 32.426 21.526 1.00 20.00 C ATOM 0 H TRP A 73 25.195 33.871 25.024 1.00 20.00 H new ATOM 0 HA TRP A 73 25.471 32.690 27.716 1.00 20.00 H new ATOM 0 HB2 TRP A 73 27.842 33.682 27.464 1.00 20.00 H new ATOM 0 HB3 TRP A 73 27.499 32.171 26.645 1.00 20.00 H new ATOM 0 HD1 TRP A 73 27.606 35.943 25.768 1.00 20.00 H new ATOM 0 HE1 TRP A 73 28.432 36.245 23.352 1.00 20.00 H new ATOM 0 HE3 TRP A 73 27.901 31.025 24.414 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 29.271 34.550 21.176 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 28.715 30.395 22.165 1.00 20.00 H new ATOM 0 HH2 TRP A 73 29.438 32.142 20.552 1.00 20.00 H new ATOM 526 N LEU A 74 25.010 35.767 26.755 1.00 20.00 N ATOM 527 CA LEU A 74 24.672 37.130 27.188 1.00 20.00 C ATOM 528 C LEU A 74 23.255 37.523 26.736 1.00 20.00 C ATOM 529 O LEU A 74 22.381 37.685 27.587 1.00 20.00 O ATOM 530 CB LEU A 74 25.734 38.151 26.701 1.00 20.00 C ATOM 531 CG LEU A 74 26.720 38.704 27.755 1.00 20.00 C ATOM 532 CD1 LEU A 74 26.000 39.498 28.855 1.00 20.00 C ATOM 533 CD2 LEU A 74 27.627 37.643 28.391 1.00 20.00 C ATOM 0 H LEU A 74 24.858 35.621 25.757 1.00 20.00 H new ATOM 0 HA LEU A 74 24.680 37.147 28.278 1.00 20.00 H new ATOM 0 HB2 LEU A 74 26.316 37.681 25.909 1.00 20.00 H new ATOM 0 HB3 LEU A 74 25.210 38.995 26.253 1.00 20.00 H new ATOM 0 HG LEU A 74 27.368 39.374 27.190 1.00 20.00 H new ATOM 0 HD11 LEU A 74 26.731 39.868 29.574 1.00 20.00 H new ATOM 0 HD12 LEU A 74 25.471 40.340 28.409 1.00 20.00 H new ATOM 0 HD13 LEU A 74 25.286 38.850 29.364 1.00 20.00 H new ATOM 0 HD21 LEU A 74 28.287 38.117 29.118 1.00 20.00 H new ATOM 0 HD22 LEU A 74 27.014 36.893 28.891 1.00 20.00 H new ATOM 0 HD23 LEU A 74 28.226 37.164 27.616 1.00 20.00 H new ATOM 545 N HIS A 75 23.039 37.723 25.424 1.00 20.00 N ATOM 546 CA HIS A 75 21.792 38.248 24.863 1.00 20.00 C ATOM 547 C HIS A 75 20.774 37.125 24.649 1.00 20.00 C ATOM 548 O HIS A 75 19.968 36.899 25.574 1.00 20.00 O ATOM 549 CB HIS A 75 22.071 39.013 23.556 1.00 20.00 C ATOM 550 CG HIS A 75 22.587 40.425 23.719 1.00 20.00 C ATOM 551 ND1 HIS A 75 22.483 41.414 22.759 1.00 20.00 N ATOM 552 CD2 HIS A 75 23.200 40.968 24.818 1.00 20.00 C ATOM 553 CE1 HIS A 75 23.017 42.538 23.267 1.00 20.00 C ATOM 554 NE2 HIS A 75 23.466 42.289 24.511 1.00 20.00 N ATOM 555 OXT HIS A 75 20.779 36.524 23.551 1.00 20.00 O ATOM 0 H HIS A 75 23.743 37.519 24.714 1.00 20.00 H new ATOM 0 HA HIS A 75 21.359 38.949 25.576 1.00 20.00 H new ATOM 0 HB2 HIS A 75 22.796 38.446 22.973 1.00 20.00 H new ATOM 0 HB3 HIS A 75 21.150 39.047 22.973 1.00 20.00 H new ATOM 0 HD2 HIS A 75 23.430 40.462 25.744 1.00 20.00 H new ATOM 0 HE1 HIS A 75 23.076 43.489 22.758 1.00 20.00 H new ATOM 0 HE2 HIS A 75 23.925 42.962 25.124 1.00 20.00 H new TER 564 HIS A 75