USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 543 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 13 GLN : amide:sc= -0.266 X(o=1.1,f=1.1!) USER MOD Set 1.2: A 33 TYR OH : rot 160:sc= 1.4 USER MOD Single : A 1 GLY N :NH3+ -125:sc= -0.375 (180deg=-1.78!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 166:sc= 0 (180deg=-0.181) USER MOD Single : A 8 ASN : amide:sc= -3.49 K(o=-3.5,f=-1.4) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -53:sc= 0.742 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.39 K(o=-3.4,f=-9.6!) USER MOD Single : A 35 GLN : amide:sc= -2.75 K(o=-2.7,f=-2.2!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.664 K(o=-0.66,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.591 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 8:sc=0.000311 USER MOD Single : A 52 THR OG1 : rot -157:sc= -0.669 USER MOD Single : A 53 THR OG1 : rot 49:sc= 0.065 USER MOD Single : A 54 SER OG : rot 68:sc= -0.0468 USER MOD Single : A 57 SER OG : rot 180:sc= -0.197 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 75:sc= -0.0445 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.359 -1.476 -3.318 1.00 13.01 N ATOM 2 CA GLY A 1 29.030 -1.796 -1.942 1.00 2.30 C ATOM 3 C GLY A 1 28.006 -0.845 -1.355 1.00 64.23 C ATOM 4 O GLY A 1 26.838 -1.191 -1.172 1.00 64.22 O ATOM 0 H1 GLY A 1 29.205 -2.313 -3.916 1.00 13.01 H new ATOM 0 H2 GLY A 1 28.753 -0.698 -3.648 1.00 13.01 H new ATOM 0 H3 GLY A 1 30.356 -1.187 -3.378 1.00 13.01 H new ATOM 0 HA2 GLY A 1 28.646 -2.815 -1.891 1.00 2.30 H new ATOM 0 HA3 GLY A 1 29.937 -1.766 -1.338 1.00 2.30 H new ATOM 8 N PRO A 2 28.444 0.386 -1.049 1.00 2.21 N ATOM 9 CA PRO A 2 27.572 1.416 -0.473 1.00 32.41 C ATOM 10 C PRO A 2 26.539 1.925 -1.472 1.00 51.44 C ATOM 11 O PRO A 2 26.795 1.972 -2.675 1.00 51.24 O ATOM 12 CB PRO A 2 28.547 2.533 -0.094 1.00 52.34 C ATOM 13 CG PRO A 2 29.709 2.349 -1.008 1.00 72.12 C ATOM 14 CD PRO A 2 29.822 0.868 -1.240 1.00 11.43 C ATOM 0 HA PRO A 2 26.991 1.036 0.367 1.00 32.41 H new ATOM 0 HB2 PRO A 2 28.093 3.515 -0.224 1.00 52.34 H new ATOM 0 HB3 PRO A 2 28.849 2.457 0.951 1.00 52.34 H new ATOM 0 HG2 PRO A 2 29.555 2.881 -1.947 1.00 72.12 H new ATOM 0 HG3 PRO A 2 30.622 2.745 -0.563 1.00 72.12 H new ATOM 0 HD2 PRO A 2 30.190 0.645 -2.241 1.00 11.43 H new ATOM 0 HD3 PRO A 2 30.512 0.403 -0.536 1.00 11.43 H new ATOM 22 N SER A 3 25.372 2.308 -0.966 1.00 21.02 N ATOM 23 CA SER A 3 24.298 2.812 -1.814 1.00 32.13 C ATOM 24 C SER A 3 24.199 4.331 -1.721 1.00 63.11 C ATOM 25 O SER A 3 24.728 4.944 -0.793 1.00 54.24 O ATOM 26 CB SER A 3 22.964 2.177 -1.416 1.00 70.33 C ATOM 27 OG SER A 3 22.298 2.960 -0.439 1.00 53.44 O ATOM 0 H SER A 3 25.145 2.279 0.028 1.00 21.02 H new ATOM 0 HA SER A 3 24.527 2.543 -2.845 1.00 32.13 H new ATOM 0 HB2 SER A 3 22.330 2.072 -2.297 1.00 70.33 H new ATOM 0 HB3 SER A 3 23.137 1.174 -1.027 1.00 70.33 H new ATOM 0 HG SER A 3 21.448 2.534 -0.203 1.00 53.44 H new ATOM 33 N THR A 4 23.518 4.934 -2.690 1.00 41.33 N ATOM 34 CA THR A 4 23.349 6.381 -2.719 1.00 61.45 C ATOM 35 C THR A 4 21.874 6.763 -2.753 1.00 63.01 C ATOM 36 O THR A 4 21.073 6.124 -3.436 1.00 42.13 O ATOM 37 CB THR A 4 24.057 7.005 -3.937 1.00 53.34 C ATOM 38 OG1 THR A 4 25.391 6.494 -4.043 1.00 73.14 O ATOM 39 CG2 THR A 4 24.097 8.521 -3.823 1.00 44.42 C ATOM 0 H THR A 4 23.074 4.442 -3.466 1.00 41.33 H new ATOM 0 HA THR A 4 23.801 6.769 -1.806 1.00 61.45 H new ATOM 0 HB THR A 4 23.494 6.739 -4.832 1.00 53.34 H new ATOM 0 HG1 THR A 4 25.834 6.894 -4.820 1.00 73.14 H new ATOM 0 HG21 THR A 4 24.602 8.938 -4.694 1.00 44.42 H new ATOM 0 HG22 THR A 4 23.080 8.909 -3.772 1.00 44.42 H new ATOM 0 HG23 THR A 4 24.638 8.804 -2.920 1.00 44.42 H new ATOM 47 N SER A 5 21.521 7.809 -2.013 1.00 25.21 N ATOM 48 CA SER A 5 20.140 8.274 -1.956 1.00 73.13 C ATOM 49 C SER A 5 19.928 9.461 -2.891 1.00 13.42 C ATOM 50 O SER A 5 20.885 10.065 -3.373 1.00 31.11 O ATOM 51 CB SER A 5 19.769 8.665 -0.524 1.00 64.35 C ATOM 52 OG SER A 5 19.934 7.572 0.362 1.00 72.45 O ATOM 0 H SER A 5 22.172 8.351 -1.445 1.00 25.21 H new ATOM 0 HA SER A 5 19.494 7.458 -2.280 1.00 73.13 H new ATOM 0 HB2 SER A 5 20.392 9.498 -0.198 1.00 64.35 H new ATOM 0 HB3 SER A 5 18.735 9.009 -0.494 1.00 64.35 H new ATOM 0 HG SER A 5 19.692 7.848 1.271 1.00 72.45 H new ATOM 58 N MET A 6 18.664 9.788 -3.143 1.00 63.44 N ATOM 59 CA MET A 6 18.325 10.904 -4.020 1.00 30.21 C ATOM 60 C MET A 6 16.882 11.348 -3.800 1.00 61.03 C ATOM 61 O MET A 6 16.062 10.589 -3.286 1.00 41.43 O ATOM 62 CB MET A 6 18.533 10.511 -5.484 1.00 22.50 C ATOM 63 CG MET A 6 17.749 9.277 -5.899 1.00 44.44 C ATOM 64 SD MET A 6 18.802 7.836 -6.148 1.00 4.21 S ATOM 65 CE MET A 6 19.365 8.113 -7.825 1.00 53.45 C ATOM 0 H MET A 6 17.859 9.297 -2.753 1.00 63.44 H new ATOM 0 HA MET A 6 18.984 11.738 -3.778 1.00 30.21 H new ATOM 0 HB2 MET A 6 18.243 11.347 -6.121 1.00 22.50 H new ATOM 0 HB3 MET A 6 19.594 10.332 -5.656 1.00 22.50 H new ATOM 0 HG2 MET A 6 17.005 9.051 -5.136 1.00 44.44 H new ATOM 0 HG3 MET A 6 17.206 9.489 -6.820 1.00 44.44 H new ATOM 0 HE1 MET A 6 20.207 7.455 -8.039 1.00 53.45 H new ATOM 0 HE2 MET A 6 18.553 7.902 -8.521 1.00 53.45 H new ATOM 0 HE3 MET A 6 19.678 9.151 -7.937 1.00 53.45 H new ATOM 75 N GLU A 7 16.581 12.582 -4.193 1.00 33.40 N ATOM 76 CA GLU A 7 15.237 13.127 -4.036 1.00 75.45 C ATOM 77 C GLU A 7 14.678 13.584 -5.380 1.00 4.31 C ATOM 78 O GLU A 7 13.812 14.457 -5.439 1.00 62.41 O ATOM 79 CB GLU A 7 15.248 14.296 -3.050 1.00 52.10 C ATOM 80 CG GLU A 7 16.372 15.289 -3.296 1.00 42.42 C ATOM 81 CD GLU A 7 16.336 16.461 -2.333 1.00 53.23 C ATOM 82 OE1 GLU A 7 16.035 16.240 -1.142 1.00 30.53 O ATOM 83 OE2 GLU A 7 16.609 17.597 -2.772 1.00 4.41 O ATOM 0 H GLU A 7 17.249 13.223 -4.622 1.00 33.40 H new ATOM 0 HA GLU A 7 14.595 12.339 -3.643 1.00 75.45 H new ATOM 0 HB2 GLU A 7 14.293 14.819 -3.109 1.00 52.10 H new ATOM 0 HB3 GLU A 7 15.335 13.905 -2.036 1.00 52.10 H new ATOM 0 HG2 GLU A 7 17.330 14.778 -3.204 1.00 42.42 H new ATOM 0 HG3 GLU A 7 16.306 15.661 -4.318 1.00 42.42 H new ATOM 90 N ASN A 8 15.177 12.989 -6.457 1.00 74.54 N ATOM 91 CA ASN A 8 14.728 13.336 -7.801 1.00 11.02 C ATOM 92 C ASN A 8 15.445 12.491 -8.850 1.00 5.52 C ATOM 93 O ASN A 8 16.372 12.959 -9.511 1.00 55.23 O ATOM 94 CB ASN A 8 14.970 14.821 -8.075 1.00 24.44 C ATOM 95 CG ASN A 8 14.739 15.187 -9.528 1.00 73.53 C ATOM 96 OD1 ASN A 8 15.687 15.329 -10.301 1.00 13.21 O ATOM 97 ND2 ASN A 8 13.476 15.341 -9.906 1.00 24.41 N ATOM 0 H ASN A 8 15.893 12.263 -6.426 1.00 74.54 H new ATOM 0 HA ASN A 8 13.659 13.131 -7.863 1.00 11.02 H new ATOM 0 HB2 ASN A 8 14.310 15.416 -7.444 1.00 24.44 H new ATOM 0 HB3 ASN A 8 15.992 15.077 -7.797 1.00 24.44 H new ATOM 0 HD21 ASN A 8 13.259 15.587 -10.872 1.00 24.41 H new ATOM 0 HD22 ASN A 8 12.722 15.213 -9.231 1.00 24.41 H new ATOM 104 N LEU A 9 15.010 11.244 -8.996 1.00 3.33 N ATOM 105 CA LEU A 9 15.609 10.333 -9.964 1.00 52.12 C ATOM 106 C LEU A 9 14.831 10.344 -11.276 1.00 4.41 C ATOM 107 O LEU A 9 15.024 9.481 -12.133 1.00 33.34 O ATOM 108 CB LEU A 9 15.656 8.914 -9.398 1.00 15.24 C ATOM 109 CG LEU A 9 14.360 8.399 -8.767 1.00 62.33 C ATOM 110 CD1 LEU A 9 14.026 7.011 -9.292 1.00 1.12 C ATOM 111 CD2 LEU A 9 14.476 8.385 -7.250 1.00 12.14 C ATOM 0 H LEU A 9 14.244 10.841 -8.456 1.00 3.33 H new ATOM 0 HA LEU A 9 16.626 10.672 -10.163 1.00 52.12 H new ATOM 0 HB2 LEU A 9 15.941 8.234 -10.200 1.00 15.24 H new ATOM 0 HB3 LEU A 9 16.445 8.870 -8.647 1.00 15.24 H new ATOM 0 HG LEU A 9 13.549 9.073 -9.043 1.00 62.33 H new ATOM 0 HD11 LEU A 9 13.102 6.661 -8.833 1.00 1.12 H new ATOM 0 HD12 LEU A 9 13.901 7.052 -10.374 1.00 1.12 H new ATOM 0 HD13 LEU A 9 14.836 6.324 -9.046 1.00 1.12 H new ATOM 0 HD21 LEU A 9 13.546 8.016 -6.817 1.00 12.14 H new ATOM 0 HD22 LEU A 9 15.298 7.733 -6.954 1.00 12.14 H new ATOM 0 HD23 LEU A 9 14.668 9.396 -6.890 1.00 12.14 H new ATOM 123 N VAL A 10 13.949 11.328 -11.428 1.00 24.51 N ATOM 124 CA VAL A 10 13.144 11.454 -12.637 1.00 3.22 C ATOM 125 C VAL A 10 14.018 11.421 -13.885 1.00 11.21 C ATOM 126 O VAL A 10 13.580 10.986 -14.950 1.00 2.20 O ATOM 127 CB VAL A 10 12.323 12.758 -12.631 1.00 72.12 C ATOM 128 CG1 VAL A 10 13.235 13.962 -12.812 1.00 4.01 C ATOM 129 CG2 VAL A 10 11.256 12.720 -13.715 1.00 32.45 C ATOM 0 H VAL A 10 13.774 12.049 -10.728 1.00 24.51 H new ATOM 0 HA VAL A 10 12.462 10.604 -12.653 1.00 3.22 H new ATOM 0 HB VAL A 10 11.825 12.850 -11.666 1.00 72.12 H new ATOM 0 HG11 VAL A 10 12.639 14.874 -12.805 1.00 4.01 H new ATOM 0 HG12 VAL A 10 13.959 13.996 -11.998 1.00 4.01 H new ATOM 0 HG13 VAL A 10 13.762 13.880 -13.763 1.00 4.01 H new ATOM 0 HG21 VAL A 10 10.685 13.649 -13.697 1.00 32.45 H new ATOM 0 HG22 VAL A 10 11.731 12.605 -14.689 1.00 32.45 H new ATOM 0 HG23 VAL A 10 10.586 11.879 -13.537 1.00 32.45 H new ATOM 139 N SER A 11 15.256 11.884 -13.747 1.00 1.52 N ATOM 140 CA SER A 11 16.191 11.911 -14.865 1.00 74.22 C ATOM 141 C SER A 11 16.647 10.500 -15.226 1.00 44.31 C ATOM 142 O SER A 11 16.779 10.160 -16.403 1.00 4.24 O ATOM 143 CB SER A 11 17.404 12.778 -14.522 1.00 63.32 C ATOM 144 OG SER A 11 18.318 12.828 -15.604 1.00 64.31 O ATOM 0 H SER A 11 15.635 12.246 -12.872 1.00 1.52 H new ATOM 0 HA SER A 11 15.678 12.340 -15.725 1.00 74.22 H new ATOM 0 HB2 SER A 11 17.075 13.787 -14.273 1.00 63.32 H new ATOM 0 HB3 SER A 11 17.903 12.378 -13.639 1.00 63.32 H new ATOM 0 HG SER A 11 19.083 13.389 -15.360 1.00 64.31 H new ATOM 150 N LEU A 12 16.886 9.684 -14.206 1.00 53.33 N ATOM 151 CA LEU A 12 17.327 8.309 -14.415 1.00 30.31 C ATOM 152 C LEU A 12 16.157 7.416 -14.814 1.00 5.14 C ATOM 153 O LEU A 12 16.349 6.342 -15.382 1.00 53.22 O ATOM 154 CB LEU A 12 17.988 7.767 -13.146 1.00 70.32 C ATOM 155 CG LEU A 12 19.469 7.403 -13.263 1.00 1.50 C ATOM 156 CD1 LEU A 12 20.316 8.658 -13.402 1.00 73.33 C ATOM 157 CD2 LEU A 12 19.914 6.587 -12.059 1.00 70.42 C ATOM 0 H LEU A 12 16.782 9.950 -13.227 1.00 53.33 H new ATOM 0 HA LEU A 12 18.055 8.306 -15.227 1.00 30.31 H new ATOM 0 HB2 LEU A 12 17.879 8.511 -12.357 1.00 70.32 H new ATOM 0 HB3 LEU A 12 17.441 6.880 -12.826 1.00 70.32 H new ATOM 0 HG LEU A 12 19.606 6.796 -14.158 1.00 1.50 H new ATOM 0 HD11 LEU A 12 21.367 8.380 -13.484 1.00 73.33 H new ATOM 0 HD12 LEU A 12 20.014 9.204 -14.296 1.00 73.33 H new ATOM 0 HD13 LEU A 12 20.175 9.291 -12.526 1.00 73.33 H new ATOM 0 HD21 LEU A 12 20.970 6.337 -12.159 1.00 70.42 H new ATOM 0 HD22 LEU A 12 19.763 7.169 -11.150 1.00 70.42 H new ATOM 0 HD23 LEU A 12 19.328 5.670 -12.004 1.00 70.42 H new ATOM 169 N GLN A 13 14.944 7.869 -14.513 1.00 62.34 N ATOM 170 CA GLN A 13 13.743 7.112 -14.842 1.00 3.43 C ATOM 171 C GLN A 13 13.696 6.785 -16.332 1.00 30.15 C ATOM 172 O GLN A 13 13.069 5.810 -16.743 1.00 2.32 O ATOM 173 CB GLN A 13 12.493 7.897 -14.441 1.00 42.32 C ATOM 174 CG GLN A 13 12.238 7.911 -12.942 1.00 11.01 C ATOM 175 CD GLN A 13 10.826 8.341 -12.595 1.00 63.10 C ATOM 176 OE1 GLN A 13 9.920 8.268 -13.425 1.00 30.51 O ATOM 177 NE2 GLN A 13 10.632 8.794 -11.361 1.00 54.31 N ATOM 0 H GLN A 13 14.768 8.756 -14.042 1.00 62.34 H new ATOM 0 HA GLN A 13 13.770 6.176 -14.284 1.00 3.43 H new ATOM 0 HB2 GLN A 13 12.590 8.924 -14.794 1.00 42.32 H new ATOM 0 HB3 GLN A 13 11.627 7.467 -14.944 1.00 42.32 H new ATOM 0 HG2 GLN A 13 12.421 6.916 -12.537 1.00 11.01 H new ATOM 0 HG3 GLN A 13 12.947 8.586 -12.463 1.00 11.01 H new ATOM 0 HE21 GLN A 13 11.412 8.837 -10.705 1.00 54.31 H new ATOM 0 HE22 GLN A 13 9.703 9.098 -11.070 1.00 54.31 H new ATOM 186 N ASN A 14 14.363 7.608 -17.134 1.00 11.33 N ATOM 187 CA ASN A 14 14.397 7.407 -18.578 1.00 13.24 C ATOM 188 C ASN A 14 15.778 6.943 -19.031 1.00 21.22 C ATOM 189 O ASN A 14 15.975 5.772 -19.362 1.00 24.53 O ATOM 190 CB ASN A 14 14.017 8.699 -19.303 1.00 72.53 C ATOM 191 CG ASN A 14 12.672 8.600 -19.996 1.00 10.51 C ATOM 192 OD1 ASN A 14 12.559 8.857 -21.195 1.00 4.44 O ATOM 193 ND2 ASN A 14 11.645 8.224 -19.242 1.00 41.45 N ATOM 0 H ASN A 14 14.887 8.420 -16.809 1.00 11.33 H new ATOM 0 HA ASN A 14 13.673 6.632 -18.829 1.00 13.24 H new ATOM 0 HB2 ASN A 14 13.994 9.521 -18.587 1.00 72.53 H new ATOM 0 HB3 ASN A 14 14.785 8.939 -20.039 1.00 72.53 H new ATOM 0 HD21 ASN A 14 10.715 8.138 -19.653 1.00 41.45 H new ATOM 0 HD22 ASN A 14 11.786 8.021 -18.252 1.00 41.45 H new ATOM 200 N LEU A 15 16.731 7.867 -19.043 1.00 21.45 N ATOM 201 CA LEU A 15 18.096 7.554 -19.454 1.00 41.10 C ATOM 202 C LEU A 15 19.109 8.306 -18.596 1.00 71.31 C ATOM 203 O LEU A 15 18.740 9.130 -17.759 1.00 52.34 O ATOM 204 CB LEU A 15 18.298 7.906 -20.928 1.00 15.22 C ATOM 205 CG LEU A 15 18.543 6.727 -21.872 1.00 44.42 C ATOM 206 CD1 LEU A 15 19.762 5.933 -21.429 1.00 65.15 C ATOM 207 CD2 LEU A 15 17.315 5.832 -21.936 1.00 52.12 C ATOM 0 H LEU A 15 16.585 8.840 -18.773 1.00 21.45 H new ATOM 0 HA LEU A 15 18.255 6.484 -19.317 1.00 41.10 H new ATOM 0 HB2 LEU A 15 17.418 8.447 -21.276 1.00 15.22 H new ATOM 0 HB3 LEU A 15 19.144 8.589 -21.005 1.00 15.22 H new ATOM 0 HG LEU A 15 18.734 7.119 -22.871 1.00 44.42 H new ATOM 0 HD11 LEU A 15 19.921 5.099 -22.112 1.00 65.15 H new ATOM 0 HD12 LEU A 15 20.640 6.580 -21.436 1.00 65.15 H new ATOM 0 HD13 LEU A 15 19.601 5.551 -20.421 1.00 65.15 H new ATOM 0 HD21 LEU A 15 17.507 4.999 -22.612 1.00 52.12 H new ATOM 0 HD22 LEU A 15 17.092 5.448 -20.940 1.00 52.12 H new ATOM 0 HD23 LEU A 15 16.464 6.407 -22.302 1.00 52.12 H new ATOM 219 N LEU A 16 20.388 8.017 -18.811 1.00 0.11 N ATOM 220 CA LEU A 16 21.455 8.667 -18.060 1.00 62.32 C ATOM 221 C LEU A 16 22.440 9.359 -18.999 1.00 13.43 C ATOM 222 O LEU A 16 23.640 9.086 -18.966 1.00 40.12 O ATOM 223 CB LEU A 16 22.193 7.644 -17.193 1.00 11.10 C ATOM 224 CG LEU A 16 22.495 6.299 -17.854 1.00 53.31 C ATOM 225 CD1 LEU A 16 23.780 5.707 -17.297 1.00 62.30 C ATOM 226 CD2 LEU A 16 21.333 5.335 -17.658 1.00 21.22 C ATOM 0 H LEU A 16 20.711 7.337 -19.499 1.00 0.11 H new ATOM 0 HA LEU A 16 21.004 9.422 -17.416 1.00 62.32 H new ATOM 0 HB2 LEU A 16 23.135 8.086 -16.867 1.00 11.10 H new ATOM 0 HB3 LEU A 16 21.600 7.461 -16.297 1.00 11.10 H new ATOM 0 HG LEU A 16 22.628 6.464 -18.923 1.00 53.31 H new ATOM 0 HD11 LEU A 16 23.979 4.750 -17.779 1.00 62.30 H new ATOM 0 HD12 LEU A 16 24.608 6.389 -17.489 1.00 62.30 H new ATOM 0 HD13 LEU A 16 23.676 5.557 -16.222 1.00 62.30 H new ATOM 0 HD21 LEU A 16 21.566 4.383 -18.135 1.00 21.22 H new ATOM 0 HD22 LEU A 16 21.168 5.176 -16.592 1.00 21.22 H new ATOM 0 HD23 LEU A 16 20.432 5.755 -18.106 1.00 21.22 H new ATOM 238 N VAL A 17 21.923 10.255 -19.833 1.00 53.21 N ATOM 239 CA VAL A 17 22.757 10.988 -20.779 1.00 54.31 C ATOM 240 C VAL A 17 23.872 11.738 -20.062 1.00 23.41 C ATOM 241 O VAL A 17 24.001 11.661 -18.840 1.00 35.41 O ATOM 242 CB VAL A 17 21.924 11.989 -21.602 1.00 61.51 C ATOM 243 CG1 VAL A 17 20.944 11.256 -22.504 1.00 34.10 C ATOM 244 CG2 VAL A 17 21.194 12.956 -20.681 1.00 55.12 C ATOM 0 H VAL A 17 20.932 10.491 -19.873 1.00 53.21 H new ATOM 0 HA VAL A 17 23.195 10.251 -21.453 1.00 54.31 H new ATOM 0 HB VAL A 17 22.600 12.564 -22.235 1.00 61.51 H new ATOM 0 HG11 VAL A 17 20.365 11.980 -23.077 1.00 34.10 H new ATOM 0 HG12 VAL A 17 21.493 10.608 -23.187 1.00 34.10 H new ATOM 0 HG13 VAL A 17 20.270 10.653 -21.895 1.00 34.10 H new ATOM 0 HG21 VAL A 17 20.610 13.657 -21.278 1.00 55.12 H new ATOM 0 HG22 VAL A 17 20.529 12.398 -20.022 1.00 55.12 H new ATOM 0 HG23 VAL A 17 21.920 13.507 -20.082 1.00 55.12 H new ATOM 254 N TYR A 18 24.676 12.467 -20.829 1.00 75.12 N ATOM 255 CA TYR A 18 25.783 13.231 -20.267 1.00 22.34 C ATOM 256 C TYR A 18 25.517 14.730 -20.368 1.00 2.13 C ATOM 257 O TYR A 18 26.435 15.523 -20.577 1.00 75.02 O ATOM 258 CB TYR A 18 27.087 12.884 -20.986 1.00 54.12 C ATOM 259 CG TYR A 18 26.943 12.784 -22.488 1.00 22.01 C ATOM 260 CD1 TYR A 18 26.697 13.914 -23.258 1.00 73.41 C ATOM 261 CD2 TYR A 18 27.053 11.561 -23.137 1.00 0.14 C ATOM 262 CE1 TYR A 18 26.564 13.828 -24.630 1.00 41.11 C ATOM 263 CE2 TYR A 18 26.922 11.465 -24.508 1.00 52.04 C ATOM 264 CZ TYR A 18 26.677 12.601 -25.251 1.00 60.14 C ATOM 265 OH TYR A 18 26.547 12.512 -26.618 1.00 13.52 O ATOM 0 H TYR A 18 24.581 12.545 -21.842 1.00 75.12 H new ATOM 0 HA TYR A 18 25.875 12.967 -19.214 1.00 22.34 H new ATOM 0 HB2 TYR A 18 27.834 13.642 -20.751 1.00 54.12 H new ATOM 0 HB3 TYR A 18 27.463 11.936 -20.602 1.00 54.12 H new ATOM 0 HD1 TYR A 18 26.608 14.876 -22.775 1.00 73.41 H new ATOM 0 HD2 TYR A 18 27.244 10.669 -22.559 1.00 0.14 H new ATOM 0 HE1 TYR A 18 26.373 14.716 -25.214 1.00 41.11 H new ATOM 0 HE2 TYR A 18 27.011 10.506 -24.996 1.00 52.04 H new ATOM 0 HH TYR A 18 26.654 11.579 -26.897 1.00 13.52 H new ATOM 275 N VAL A 19 24.253 15.111 -20.217 1.00 10.41 N ATOM 276 CA VAL A 19 23.864 16.514 -20.289 1.00 42.54 C ATOM 277 C VAL A 19 22.597 16.776 -19.483 1.00 72.11 C ATOM 278 O VAL A 19 21.607 16.058 -19.614 1.00 11.43 O ATOM 279 CB VAL A 19 23.632 16.958 -21.746 1.00 73.04 C ATOM 280 CG1 VAL A 19 24.960 17.160 -22.460 1.00 42.53 C ATOM 281 CG2 VAL A 19 22.771 15.943 -22.482 1.00 13.10 C ATOM 0 H VAL A 19 23.481 14.468 -20.044 1.00 10.41 H new ATOM 0 HA VAL A 19 24.686 17.092 -19.866 1.00 42.54 H new ATOM 0 HB VAL A 19 23.102 17.911 -21.737 1.00 73.04 H new ATOM 0 HG11 VAL A 19 24.777 17.473 -23.488 1.00 42.53 H new ATOM 0 HG12 VAL A 19 25.537 17.927 -21.944 1.00 42.53 H new ATOM 0 HG13 VAL A 19 25.519 16.224 -22.460 1.00 42.53 H new ATOM 0 HG21 VAL A 19 22.618 16.273 -23.509 1.00 13.10 H new ATOM 0 HG22 VAL A 19 23.271 14.974 -22.483 1.00 13.10 H new ATOM 0 HG23 VAL A 19 21.807 15.853 -21.982 1.00 13.10 H new ATOM 291 N ASN A 20 22.636 17.809 -18.648 1.00 75.42 N ATOM 292 CA ASN A 20 21.491 18.166 -17.819 1.00 32.05 C ATOM 293 C ASN A 20 20.214 18.226 -18.651 1.00 13.01 C ATOM 294 O ASN A 20 19.134 17.873 -18.176 1.00 64.23 O ATOM 295 CB ASN A 20 21.730 19.513 -17.134 1.00 62.23 C ATOM 296 CG ASN A 20 20.487 20.040 -16.444 1.00 11.22 C ATOM 297 OD1 ASN A 20 19.853 19.334 -15.659 1.00 41.00 O ATOM 298 ND2 ASN A 20 20.133 21.286 -16.734 1.00 51.44 N ATOM 0 H ASN A 20 23.449 18.414 -18.528 1.00 75.42 H new ATOM 0 HA ASN A 20 21.372 17.395 -17.058 1.00 32.05 H new ATOM 0 HB2 ASN A 20 22.531 19.408 -16.403 1.00 62.23 H new ATOM 0 HB3 ASN A 20 22.067 20.239 -17.874 1.00 62.23 H new ATOM 0 HD21 ASN A 20 19.305 21.695 -16.300 1.00 51.44 H new ATOM 0 HD22 ASN A 20 20.689 21.834 -17.391 1.00 51.44 H new ATOM 305 N TRP A 21 20.346 18.673 -19.895 1.00 15.20 N ATOM 306 CA TRP A 21 19.203 18.778 -20.794 1.00 4.41 C ATOM 307 C TRP A 21 19.254 17.698 -21.869 1.00 31.32 C ATOM 308 O TRP A 21 20.306 17.440 -22.454 1.00 41.30 O ATOM 309 CB TRP A 21 19.166 20.161 -21.446 1.00 44.33 C ATOM 310 CG TRP A 21 18.234 20.242 -22.617 1.00 13.44 C ATOM 311 CD1 TRP A 21 16.955 20.720 -22.615 1.00 62.42 C ATOM 312 CD2 TRP A 21 18.507 19.830 -23.961 1.00 31.52 C ATOM 313 NE1 TRP A 21 16.417 20.631 -23.876 1.00 52.33 N ATOM 314 CE2 TRP A 21 17.350 20.088 -24.720 1.00 52.32 C ATOM 315 CE3 TRP A 21 19.619 19.269 -24.596 1.00 41.03 C ATOM 316 CZ2 TRP A 21 17.273 19.803 -26.081 1.00 62.23 C ATOM 317 CZ3 TRP A 21 19.541 18.986 -25.947 1.00 42.13 C ATOM 318 CH2 TRP A 21 18.376 19.255 -26.678 1.00 72.41 C ATOM 0 H TRP A 21 21.233 18.968 -20.304 1.00 15.20 H new ATOM 0 HA TRP A 21 18.296 18.636 -20.206 1.00 4.41 H new ATOM 0 HB2 TRP A 21 18.866 20.898 -20.701 1.00 44.33 H new ATOM 0 HB3 TRP A 21 20.171 20.428 -21.772 1.00 44.33 H new ATOM 0 HD1 TRP A 21 16.441 21.111 -21.749 1.00 62.42 H new ATOM 0 HE1 TRP A 21 15.476 20.922 -24.141 1.00 52.33 H new ATOM 0 HE3 TRP A 21 20.522 19.061 -24.042 1.00 41.03 H new ATOM 0 HZ2 TRP A 21 16.375 20.007 -26.645 1.00 62.23 H new ATOM 0 HZ3 TRP A 21 20.393 18.550 -26.448 1.00 42.13 H new ATOM 0 HH2 TRP A 21 18.348 19.025 -27.733 1.00 72.41 H new ATOM 329 N SER A 22 18.112 17.068 -22.124 1.00 51.45 N ATOM 330 CA SER A 22 18.028 16.012 -23.127 1.00 24.12 C ATOM 331 C SER A 22 16.603 15.479 -23.235 1.00 13.45 C ATOM 332 O SER A 22 16.357 14.289 -23.033 1.00 52.30 O ATOM 333 CB SER A 22 18.987 14.872 -22.778 1.00 45.42 C ATOM 334 OG SER A 22 18.816 13.775 -23.660 1.00 23.42 O ATOM 0 H SER A 22 17.232 17.270 -21.650 1.00 51.45 H new ATOM 0 HA SER A 22 18.313 16.435 -24.090 1.00 24.12 H new ATOM 0 HB2 SER A 22 20.016 15.229 -22.831 1.00 45.42 H new ATOM 0 HB3 SER A 22 18.814 14.548 -21.752 1.00 45.42 H new ATOM 0 HG SER A 22 17.873 13.509 -23.672 1.00 23.42 H new ATOM 340 N SER A 23 15.668 16.367 -23.556 1.00 53.12 N ATOM 341 CA SER A 23 14.266 15.987 -23.689 1.00 25.51 C ATOM 342 C SER A 23 13.777 15.268 -22.434 1.00 73.03 C ATOM 343 O SER A 23 13.891 14.047 -22.321 1.00 70.24 O ATOM 344 CB SER A 23 14.072 15.090 -24.913 1.00 61.43 C ATOM 345 OG SER A 23 13.573 15.830 -26.013 1.00 63.14 O ATOM 0 H SER A 23 15.855 17.355 -23.729 1.00 53.12 H new ATOM 0 HA SER A 23 13.679 16.896 -23.818 1.00 25.51 H new ATOM 0 HB2 SER A 23 15.021 14.627 -25.183 1.00 61.43 H new ATOM 0 HB3 SER A 23 13.381 14.283 -24.670 1.00 61.43 H new ATOM 0 HG SER A 23 13.459 15.235 -26.783 1.00 63.14 H new ATOM 351 N TYR A 24 13.232 16.034 -21.497 1.00 22.35 N ATOM 352 CA TYR A 24 12.727 15.472 -20.249 1.00 52.04 C ATOM 353 C TYR A 24 11.817 14.278 -20.519 1.00 0.02 C ATOM 354 O TYR A 24 11.197 14.164 -21.576 1.00 35.10 O ATOM 355 CB TYR A 24 11.969 16.537 -19.455 1.00 55.43 C ATOM 356 CG TYR A 24 12.854 17.360 -18.547 1.00 31.14 C ATOM 357 CD1 TYR A 24 14.114 17.773 -18.961 1.00 22.50 C ATOM 358 CD2 TYR A 24 12.430 17.723 -17.274 1.00 10.10 C ATOM 359 CE1 TYR A 24 14.927 18.524 -18.133 1.00 51.20 C ATOM 360 CE2 TYR A 24 13.235 18.475 -16.441 1.00 40.01 C ATOM 361 CZ TYR A 24 14.482 18.874 -16.875 1.00 30.44 C ATOM 362 OH TYR A 24 15.288 19.622 -16.048 1.00 22.15 O ATOM 0 H TYR A 24 13.128 17.046 -21.577 1.00 22.35 H new ATOM 0 HA TYR A 24 13.580 15.130 -19.662 1.00 52.04 H new ATOM 0 HB2 TYR A 24 11.459 17.202 -20.151 1.00 55.43 H new ATOM 0 HB3 TYR A 24 11.199 16.052 -18.855 1.00 55.43 H new ATOM 0 HD1 TYR A 24 14.464 17.503 -19.946 1.00 22.50 H new ATOM 0 HD2 TYR A 24 11.455 17.412 -16.930 1.00 10.10 H new ATOM 0 HE1 TYR A 24 15.905 18.835 -18.469 1.00 51.20 H new ATOM 0 HE2 TYR A 24 12.890 18.749 -15.455 1.00 40.01 H new ATOM 0 HH TYR A 24 14.826 19.783 -15.199 1.00 22.15 H new ATOM 372 N PRO A 25 11.733 13.366 -19.538 1.00 40.15 N ATOM 373 CA PRO A 25 10.901 12.164 -19.645 1.00 3.22 C ATOM 374 C PRO A 25 9.410 12.486 -19.606 1.00 72.41 C ATOM 375 O PRO A 25 9.008 13.565 -19.169 1.00 15.12 O ATOM 376 CB PRO A 25 11.303 11.345 -18.416 1.00 4.02 C ATOM 377 CG PRO A 25 11.801 12.351 -17.436 1.00 52.02 C ATOM 378 CD PRO A 25 12.445 13.438 -18.251 1.00 5.20 C ATOM 0 HA PRO A 25 11.055 11.644 -20.590 1.00 3.22 H new ATOM 0 HB2 PRO A 25 10.455 10.789 -18.016 1.00 4.02 H new ATOM 0 HB3 PRO A 25 12.075 10.616 -18.662 1.00 4.02 H new ATOM 0 HG2 PRO A 25 10.984 12.747 -16.834 1.00 52.02 H new ATOM 0 HG3 PRO A 25 12.517 11.903 -16.747 1.00 52.02 H new ATOM 0 HD2 PRO A 25 12.329 14.415 -17.781 1.00 5.20 H new ATOM 0 HD3 PRO A 25 13.515 13.268 -18.373 1.00 5.20 H new ATOM 386 N LYS A 26 8.594 11.544 -20.066 1.00 33.52 N ATOM 387 CA LYS A 26 7.147 11.725 -20.083 1.00 64.52 C ATOM 388 C LYS A 26 6.486 10.929 -18.963 1.00 24.33 C ATOM 389 O LYS A 26 7.076 9.995 -18.420 1.00 75.41 O ATOM 390 CB LYS A 26 6.575 11.296 -21.436 1.00 11.35 C ATOM 391 CG LYS A 26 5.674 10.076 -21.355 1.00 15.14 C ATOM 392 CD LYS A 26 5.311 9.558 -22.736 1.00 40.42 C ATOM 393 CE LYS A 26 5.877 8.167 -22.977 1.00 31.33 C ATOM 394 NZ LYS A 26 4.979 7.343 -23.833 1.00 51.12 N ATOM 0 H LYS A 26 8.910 10.646 -20.433 1.00 33.52 H new ATOM 0 HA LYS A 26 6.936 12.783 -19.926 1.00 64.52 H new ATOM 0 HB2 LYS A 26 6.012 12.126 -21.863 1.00 11.35 H new ATOM 0 HB3 LYS A 26 7.398 11.085 -22.119 1.00 11.35 H new ATOM 0 HG2 LYS A 26 6.175 9.290 -20.791 1.00 15.14 H new ATOM 0 HG3 LYS A 26 4.765 10.330 -20.810 1.00 15.14 H new ATOM 0 HD2 LYS A 26 4.227 9.534 -22.843 1.00 40.42 H new ATOM 0 HD3 LYS A 26 5.691 10.243 -23.494 1.00 40.42 H new ATOM 0 HE2 LYS A 26 6.855 8.250 -23.451 1.00 31.33 H new ATOM 0 HE3 LYS A 26 6.028 7.666 -22.021 1.00 31.33 H new ATOM 0 HZ1 LYS A 26 5.400 6.403 -23.974 1.00 51.12 H new ATOM 0 HZ2 LYS A 26 4.054 7.242 -23.369 1.00 51.12 H new ATOM 0 HZ3 LYS A 26 4.855 7.808 -24.755 1.00 51.12 H new ATOM 408 N TYR A 27 5.257 11.304 -18.623 1.00 75.42 N ATOM 409 CA TYR A 27 4.517 10.625 -17.566 1.00 52.54 C ATOM 410 C TYR A 27 4.570 9.111 -17.750 1.00 40.42 C ATOM 411 O TYR A 27 4.047 8.576 -18.727 1.00 21.03 O ATOM 412 CB TYR A 27 3.062 11.097 -17.551 1.00 50.34 C ATOM 413 CG TYR A 27 2.077 10.016 -17.168 1.00 34.53 C ATOM 414 CD1 TYR A 27 1.896 9.653 -15.839 1.00 60.45 C ATOM 415 CD2 TYR A 27 1.328 9.356 -18.134 1.00 42.34 C ATOM 416 CE1 TYR A 27 0.999 8.665 -15.483 1.00 15.31 C ATOM 417 CE2 TYR A 27 0.428 8.367 -17.788 1.00 42.24 C ATOM 418 CZ TYR A 27 0.268 8.025 -16.462 1.00 3.55 C ATOM 419 OH TYR A 27 -0.629 7.041 -16.113 1.00 35.23 O ATOM 0 H TYR A 27 4.753 12.074 -19.064 1.00 75.42 H new ATOM 0 HA TYR A 27 4.983 10.874 -16.613 1.00 52.54 H new ATOM 0 HB2 TYR A 27 2.966 11.928 -16.852 1.00 50.34 H new ATOM 0 HB3 TYR A 27 2.803 11.479 -18.538 1.00 50.34 H new ATOM 0 HD1 TYR A 27 2.467 10.153 -15.070 1.00 60.45 H new ATOM 0 HD2 TYR A 27 1.452 9.621 -19.174 1.00 42.34 H new ATOM 0 HE1 TYR A 27 0.871 8.395 -14.445 1.00 15.31 H new ATOM 0 HE2 TYR A 27 -0.147 7.865 -18.552 1.00 42.24 H new ATOM 0 HH TYR A 27 -1.062 6.692 -16.920 1.00 35.23 H new ATOM 429 N GLU A 28 5.205 8.429 -16.803 1.00 55.43 N ATOM 430 CA GLU A 28 5.326 6.977 -16.860 1.00 54.12 C ATOM 431 C GLU A 28 4.733 6.331 -15.611 1.00 62.44 C ATOM 432 O GLU A 28 5.337 6.326 -14.538 1.00 61.45 O ATOM 433 CB GLU A 28 6.795 6.571 -17.009 1.00 23.11 C ATOM 434 CG GLU A 28 7.113 5.914 -18.341 1.00 51.30 C ATOM 435 CD GLU A 28 6.261 4.687 -18.605 1.00 4.01 C ATOM 436 OE1 GLU A 28 5.630 4.187 -17.651 1.00 32.04 O ATOM 437 OE2 GLU A 28 6.224 4.229 -19.766 1.00 72.55 O ATOM 0 H GLU A 28 5.643 8.858 -15.988 1.00 55.43 H new ATOM 0 HA GLU A 28 4.769 6.626 -17.729 1.00 54.12 H new ATOM 0 HB2 GLU A 28 7.421 7.455 -16.891 1.00 23.11 H new ATOM 0 HB3 GLU A 28 7.057 5.885 -16.203 1.00 23.11 H new ATOM 0 HG2 GLU A 28 6.962 6.636 -19.143 1.00 51.30 H new ATOM 0 HG3 GLU A 28 8.166 5.632 -18.360 1.00 51.30 H new ATOM 444 N PRO A 29 3.521 5.774 -15.752 1.00 71.41 N ATOM 445 CA PRO A 29 2.819 5.117 -14.647 1.00 34.23 C ATOM 446 C PRO A 29 3.482 3.805 -14.237 1.00 62.13 C ATOM 447 O PRO A 29 3.867 3.002 -15.086 1.00 34.04 O ATOM 448 CB PRO A 29 1.423 4.854 -15.218 1.00 71.34 C ATOM 449 CG PRO A 29 1.626 4.787 -16.693 1.00 42.54 C ATOM 450 CD PRO A 29 2.744 5.744 -17.002 1.00 1.40 C ATOM 0 HA PRO A 29 2.817 5.729 -13.745 1.00 34.23 H new ATOM 0 HB2 PRO A 29 1.006 3.924 -14.833 1.00 71.34 H new ATOM 0 HB3 PRO A 29 0.728 5.650 -14.949 1.00 71.34 H new ATOM 0 HG2 PRO A 29 1.881 3.775 -17.006 1.00 42.54 H new ATOM 0 HG3 PRO A 29 0.716 5.065 -17.225 1.00 42.54 H new ATOM 0 HD2 PRO A 29 3.347 5.400 -17.842 1.00 1.40 H new ATOM 0 HD3 PRO A 29 2.366 6.732 -17.264 1.00 1.40 H new ATOM 458 N GLY A 30 3.612 3.595 -12.931 1.00 61.23 N ATOM 459 CA GLY A 30 4.230 2.380 -12.432 1.00 2.53 C ATOM 460 C GLY A 30 5.605 2.627 -11.846 1.00 15.13 C ATOM 461 O GLY A 30 6.425 1.712 -11.760 1.00 54.24 O ATOM 0 H GLY A 30 3.300 4.245 -12.209 1.00 61.23 H new ATOM 0 HA2 GLY A 30 3.589 1.936 -11.671 1.00 2.53 H new ATOM 0 HA3 GLY A 30 4.309 1.657 -13.244 1.00 2.53 H new ATOM 465 N LYS A 31 5.862 3.867 -11.443 1.00 13.34 N ATOM 466 CA LYS A 31 7.149 4.232 -10.863 1.00 4.35 C ATOM 467 C LYS A 31 6.986 5.352 -9.841 1.00 10.55 C ATOM 468 O LYS A 31 6.438 6.410 -10.149 1.00 34.00 O ATOM 469 CB LYS A 31 8.122 4.667 -11.961 1.00 15.34 C ATOM 470 CG LYS A 31 8.477 3.555 -12.934 1.00 30.10 C ATOM 471 CD LYS A 31 7.519 3.518 -14.112 1.00 44.34 C ATOM 472 CE LYS A 31 8.264 3.411 -15.434 1.00 65.54 C ATOM 473 NZ LYS A 31 8.542 1.996 -15.800 1.00 55.44 N ATOM 0 H LYS A 31 5.195 4.636 -11.508 1.00 13.34 H new ATOM 0 HA LYS A 31 7.552 3.356 -10.355 1.00 4.35 H new ATOM 0 HB2 LYS A 31 7.684 5.497 -12.515 1.00 15.34 H new ATOM 0 HB3 LYS A 31 9.036 5.039 -11.498 1.00 15.34 H new ATOM 0 HG2 LYS A 31 9.495 3.699 -13.296 1.00 30.10 H new ATOM 0 HG3 LYS A 31 8.455 2.596 -12.416 1.00 30.10 H new ATOM 0 HD2 LYS A 31 6.842 2.670 -14.005 1.00 44.34 H new ATOM 0 HD3 LYS A 31 6.905 4.419 -14.111 1.00 44.34 H new ATOM 0 HE2 LYS A 31 7.675 3.881 -16.222 1.00 65.54 H new ATOM 0 HE3 LYS A 31 9.203 3.960 -15.367 1.00 65.54 H new ATOM 0 HZ1 LYS A 31 9.051 1.965 -16.707 1.00 55.44 H new ATOM 0 HZ2 LYS A 31 9.125 1.554 -15.061 1.00 55.44 H new ATOM 0 HZ3 LYS A 31 7.645 1.478 -15.889 1.00 55.44 H new ATOM 487 N GLU A 32 7.466 5.113 -8.624 1.00 14.34 N ATOM 488 CA GLU A 32 7.373 6.102 -7.558 1.00 41.30 C ATOM 489 C GLU A 32 7.902 7.456 -8.025 1.00 12.31 C ATOM 490 O GLU A 32 8.935 7.535 -8.688 1.00 74.41 O ATOM 491 CB GLU A 32 8.153 5.635 -6.328 1.00 30.11 C ATOM 492 CG GLU A 32 8.403 6.735 -5.310 1.00 52.12 C ATOM 493 CD GLU A 32 9.691 7.491 -5.573 1.00 21.11 C ATOM 494 OE1 GLU A 32 10.381 7.163 -6.561 1.00 64.33 O ATOM 495 OE2 GLU A 32 10.010 8.409 -4.788 1.00 11.44 O ATOM 0 H GLU A 32 7.923 4.242 -8.353 1.00 14.34 H new ATOM 0 HA GLU A 32 6.322 6.213 -7.292 1.00 41.30 H new ATOM 0 HB2 GLU A 32 7.605 4.825 -5.847 1.00 30.11 H new ATOM 0 HB3 GLU A 32 9.110 5.225 -6.650 1.00 30.11 H new ATOM 0 HG2 GLU A 32 7.567 7.434 -5.323 1.00 52.12 H new ATOM 0 HG3 GLU A 32 8.439 6.300 -4.311 1.00 52.12 H new ATOM 502 N TYR A 33 7.184 8.517 -7.674 1.00 51.51 N ATOM 503 CA TYR A 33 7.578 9.868 -8.059 1.00 14.12 C ATOM 504 C TYR A 33 7.771 10.750 -6.830 1.00 75.55 C ATOM 505 O TYR A 33 6.806 11.147 -6.179 1.00 55.32 O ATOM 506 CB TYR A 33 6.527 10.484 -8.984 1.00 24.22 C ATOM 507 CG TYR A 33 6.618 10.000 -10.413 1.00 31.54 C ATOM 508 CD1 TYR A 33 7.607 10.475 -11.265 1.00 53.31 C ATOM 509 CD2 TYR A 33 5.715 9.068 -10.910 1.00 64.41 C ATOM 510 CE1 TYR A 33 7.694 10.036 -12.573 1.00 12.55 C ATOM 511 CE2 TYR A 33 5.795 8.622 -12.215 1.00 64.35 C ATOM 512 CZ TYR A 33 6.785 9.109 -13.043 1.00 72.15 C ATOM 513 OH TYR A 33 6.869 8.669 -14.344 1.00 70.23 O ATOM 0 H TYR A 33 6.326 8.468 -7.124 1.00 51.51 H new ATOM 0 HA TYR A 33 8.527 9.805 -8.591 1.00 14.12 H new ATOM 0 HB2 TYR A 33 5.535 10.256 -8.595 1.00 24.22 H new ATOM 0 HB3 TYR A 33 6.634 11.569 -8.969 1.00 24.22 H new ATOM 0 HD1 TYR A 33 8.320 11.199 -10.899 1.00 53.31 H new ATOM 0 HD2 TYR A 33 4.938 8.686 -10.265 1.00 64.41 H new ATOM 0 HE1 TYR A 33 8.468 10.416 -13.223 1.00 12.55 H new ATOM 0 HE2 TYR A 33 5.086 7.896 -12.585 1.00 64.35 H new ATOM 0 HH TYR A 33 6.393 7.817 -14.433 1.00 70.23 H new ATOM 523 N ASN A 34 9.028 11.052 -6.520 1.00 64.41 N ATOM 524 CA ASN A 34 9.350 11.888 -5.369 1.00 64.42 C ATOM 525 C ASN A 34 9.253 13.368 -5.726 1.00 22.03 C ATOM 526 O ASN A 34 9.054 13.723 -6.887 1.00 0.30 O ATOM 527 CB ASN A 34 10.757 11.567 -4.857 1.00 24.03 C ATOM 528 CG ASN A 34 11.812 11.716 -5.936 1.00 50.11 C ATOM 529 OD1 ASN A 34 11.708 12.579 -6.807 1.00 2.30 O ATOM 530 ND2 ASN A 34 12.835 10.871 -5.882 1.00 71.42 N ATOM 0 H ASN A 34 9.839 10.731 -7.049 1.00 64.41 H new ATOM 0 HA ASN A 34 8.626 11.674 -4.583 1.00 64.42 H new ATOM 0 HB2 ASN A 34 10.997 12.228 -4.024 1.00 24.03 H new ATOM 0 HB3 ASN A 34 10.777 10.548 -4.471 1.00 24.03 H new ATOM 0 HD21 ASN A 34 13.576 10.922 -6.581 1.00 71.42 H new ATOM 0 HD22 ASN A 34 12.880 10.171 -5.141 1.00 71.42 H new ATOM 537 N GLN A 35 9.394 14.225 -4.720 1.00 31.33 N ATOM 538 CA GLN A 35 9.321 15.666 -4.929 1.00 73.31 C ATOM 539 C GLN A 35 10.422 16.136 -5.874 1.00 54.34 C ATOM 540 O GLN A 35 11.578 15.736 -5.744 1.00 15.53 O ATOM 541 CB GLN A 35 9.432 16.403 -3.593 1.00 32.12 C ATOM 542 CG GLN A 35 10.845 16.437 -3.032 1.00 12.53 C ATOM 543 CD GLN A 35 11.375 15.055 -2.704 1.00 70.32 C ATOM 544 OE1 GLN A 35 12.071 14.436 -3.511 1.00 1.51 O ATOM 545 NE2 GLN A 35 11.051 14.563 -1.514 1.00 14.50 N ATOM 0 H GLN A 35 9.559 13.947 -3.753 1.00 31.33 H new ATOM 0 HA GLN A 35 8.356 15.893 -5.383 1.00 73.31 H new ATOM 0 HB2 GLN A 35 9.076 17.425 -3.721 1.00 32.12 H new ATOM 0 HB3 GLN A 35 8.774 15.925 -2.868 1.00 32.12 H new ATOM 0 HG2 GLN A 35 11.507 16.914 -3.754 1.00 12.53 H new ATOM 0 HG3 GLN A 35 10.860 17.051 -2.132 1.00 12.53 H new ATOM 0 HE21 GLN A 35 10.472 15.110 -0.876 1.00 14.50 H new ATOM 0 HE22 GLN A 35 11.381 13.638 -1.237 1.00 14.50 H new ATOM 554 N GLY A 36 10.053 16.986 -6.828 1.00 51.21 N ATOM 555 CA GLY A 36 11.021 17.496 -7.782 1.00 31.03 C ATOM 556 C GLY A 36 10.923 16.810 -9.130 1.00 14.24 C ATOM 557 O GLY A 36 11.250 17.399 -10.160 1.00 44.31 O ATOM 0 H GLY A 36 9.102 17.330 -6.957 1.00 51.21 H new ATOM 0 HA2 GLY A 36 10.869 18.568 -7.911 1.00 31.03 H new ATOM 0 HA3 GLY A 36 12.026 17.362 -7.382 1.00 31.03 H new ATOM 561 N ASP A 37 10.473 15.560 -9.124 1.00 34.13 N ATOM 562 CA ASP A 37 10.333 14.791 -10.355 1.00 51.34 C ATOM 563 C ASP A 37 9.456 15.532 -11.362 1.00 21.44 C ATOM 564 O ASP A 37 8.367 15.996 -11.025 1.00 54.34 O ATOM 565 CB ASP A 37 9.737 13.413 -10.058 1.00 64.25 C ATOM 566 CG ASP A 37 10.751 12.464 -9.450 1.00 50.25 C ATOM 567 OD1 ASP A 37 11.941 12.834 -9.379 1.00 63.01 O ATOM 568 OD2 ASP A 37 10.354 11.351 -9.048 1.00 1.41 O ATOM 0 H ASP A 37 10.199 15.058 -8.280 1.00 34.13 H new ATOM 0 HA ASP A 37 11.325 14.663 -10.788 1.00 51.34 H new ATOM 0 HB2 ASP A 37 8.893 13.524 -9.377 1.00 64.25 H new ATOM 0 HB3 ASP A 37 9.347 12.982 -10.980 1.00 64.25 H new ATOM 573 N ILE A 38 9.940 15.638 -12.594 1.00 43.14 N ATOM 574 CA ILE A 38 9.201 16.322 -13.647 1.00 51.44 C ATOM 575 C ILE A 38 9.013 15.419 -14.862 1.00 42.35 C ATOM 576 O ILE A 38 9.940 14.730 -15.288 1.00 63.23 O ATOM 577 CB ILE A 38 9.913 17.614 -14.088 1.00 61.54 C ATOM 578 CG1 ILE A 38 10.056 18.573 -12.904 1.00 14.21 C ATOM 579 CG2 ILE A 38 9.151 18.278 -15.225 1.00 44.41 C ATOM 580 CD1 ILE A 38 11.472 19.061 -12.690 1.00 62.10 C ATOM 0 H ILE A 38 10.840 15.259 -12.888 1.00 43.14 H new ATOM 0 HA ILE A 38 8.226 16.578 -13.232 1.00 51.44 H new ATOM 0 HB ILE A 38 10.910 17.357 -14.446 1.00 61.54 H new ATOM 0 HG12 ILE A 38 9.404 19.432 -13.062 1.00 14.21 H new ATOM 0 HG13 ILE A 38 9.712 18.074 -11.998 1.00 14.21 H new ATOM 0 HG21 ILE A 38 9.667 19.190 -15.525 1.00 44.41 H new ATOM 0 HG22 ILE A 38 9.096 17.596 -16.073 1.00 44.41 H new ATOM 0 HG23 ILE A 38 8.143 18.525 -14.892 1.00 44.41 H new ATOM 0 HD11 ILE A 38 11.499 19.736 -11.835 1.00 62.10 H new ATOM 0 HD12 ILE A 38 12.126 18.210 -12.501 1.00 62.10 H new ATOM 0 HD13 ILE A 38 11.813 19.589 -13.580 1.00 62.10 H new ATOM 592 N VAL A 39 7.805 15.428 -15.419 1.00 23.41 N ATOM 593 CA VAL A 39 7.496 14.612 -16.587 1.00 22.22 C ATOM 594 C VAL A 39 6.581 15.359 -17.551 1.00 30.20 C ATOM 595 O VAL A 39 5.735 16.148 -17.134 1.00 11.05 O ATOM 596 CB VAL A 39 6.825 13.286 -16.183 1.00 55.12 C ATOM 597 CG1 VAL A 39 7.617 12.601 -15.079 1.00 12.41 C ATOM 598 CG2 VAL A 39 5.387 13.526 -15.749 1.00 63.12 C ATOM 0 H VAL A 39 7.025 15.991 -15.080 1.00 23.41 H new ATOM 0 HA VAL A 39 8.442 14.395 -17.082 1.00 22.22 H new ATOM 0 HB VAL A 39 6.812 12.627 -17.051 1.00 55.12 H new ATOM 0 HG11 VAL A 39 7.128 11.666 -14.807 1.00 12.41 H new ATOM 0 HG12 VAL A 39 8.627 12.393 -15.431 1.00 12.41 H new ATOM 0 HG13 VAL A 39 7.664 13.253 -14.207 1.00 12.41 H new ATOM 0 HG21 VAL A 39 4.929 12.578 -15.467 1.00 63.12 H new ATOM 0 HG22 VAL A 39 5.373 14.204 -14.895 1.00 63.12 H new ATOM 0 HG23 VAL A 39 4.827 13.969 -16.573 1.00 63.12 H new ATOM 608 N GLU A 40 6.757 15.102 -18.844 1.00 61.43 N ATOM 609 CA GLU A 40 5.947 15.751 -19.868 1.00 61.02 C ATOM 610 C GLU A 40 4.708 14.920 -20.188 1.00 4.42 C ATOM 611 O GLU A 40 4.802 13.856 -20.800 1.00 11.04 O ATOM 612 CB GLU A 40 6.770 15.969 -21.139 1.00 64.22 C ATOM 613 CG GLU A 40 5.950 16.466 -22.318 1.00 20.44 C ATOM 614 CD GLU A 40 6.779 16.628 -23.578 1.00 4.23 C ATOM 615 OE1 GLU A 40 7.863 17.243 -23.501 1.00 32.33 O ATOM 616 OE2 GLU A 40 6.342 16.140 -24.641 1.00 30.44 O ATOM 0 H GLU A 40 7.452 14.450 -19.206 1.00 61.43 H new ATOM 0 HA GLU A 40 5.626 16.718 -19.482 1.00 61.02 H new ATOM 0 HB2 GLU A 40 7.562 16.688 -20.930 1.00 64.22 H new ATOM 0 HB3 GLU A 40 7.254 15.032 -21.413 1.00 64.22 H new ATOM 0 HG2 GLU A 40 5.136 15.767 -22.510 1.00 20.44 H new ATOM 0 HG3 GLU A 40 5.495 17.423 -22.062 1.00 20.44 H new ATOM 623 N TYR A 41 3.548 15.413 -19.770 1.00 43.12 N ATOM 624 CA TYR A 41 2.290 14.717 -20.009 1.00 52.42 C ATOM 625 C TYR A 41 1.351 15.564 -20.863 1.00 31.04 C ATOM 626 O TYR A 41 1.034 16.700 -20.516 1.00 42.13 O ATOM 627 CB TYR A 41 1.615 14.368 -18.681 1.00 45.24 C ATOM 628 CG TYR A 41 0.207 13.841 -18.838 1.00 12.14 C ATOM 629 CD1 TYR A 41 -0.874 14.707 -18.949 1.00 1.00 C ATOM 630 CD2 TYR A 41 -0.044 12.474 -18.875 1.00 75.54 C ATOM 631 CE1 TYR A 41 -2.161 14.229 -19.091 1.00 1.14 C ATOM 632 CE2 TYR A 41 -1.328 11.986 -19.019 1.00 63.52 C ATOM 633 CZ TYR A 41 -2.384 12.868 -19.126 1.00 3.21 C ATOM 634 OH TYR A 41 -3.666 12.388 -19.269 1.00 34.32 O ATOM 0 H TYR A 41 3.453 16.293 -19.263 1.00 43.12 H new ATOM 0 HA TYR A 41 2.511 13.797 -20.549 1.00 52.42 H new ATOM 0 HB2 TYR A 41 2.217 13.622 -18.162 1.00 45.24 H new ATOM 0 HB3 TYR A 41 1.593 15.256 -18.050 1.00 45.24 H new ATOM 0 HD1 TYR A 41 -0.704 15.773 -18.924 1.00 1.00 H new ATOM 0 HD2 TYR A 41 0.780 11.781 -18.790 1.00 75.54 H new ATOM 0 HE1 TYR A 41 -2.989 14.917 -19.174 1.00 1.14 H new ATOM 0 HE2 TYR A 41 -1.505 10.921 -19.048 1.00 63.52 H new ATOM 0 HH TYR A 41 -3.650 11.408 -19.276 1.00 34.32 H new ATOM 644 N ASN A 42 0.909 14.999 -21.983 1.00 24.44 N ATOM 645 CA ASN A 42 0.006 15.701 -22.888 1.00 72.30 C ATOM 646 C ASN A 42 0.612 17.027 -23.340 1.00 4.32 C ATOM 647 O ASN A 42 -0.107 17.968 -23.671 1.00 5.01 O ATOM 648 CB ASN A 42 -1.341 15.949 -22.207 1.00 15.10 C ATOM 649 CG ASN A 42 -2.253 14.738 -22.272 1.00 72.35 C ATOM 650 OD1 ASN A 42 -1.792 13.598 -22.221 1.00 15.42 O ATOM 651 ND2 ASN A 42 -3.553 14.983 -22.386 1.00 31.04 N ATOM 0 H ASN A 42 1.161 14.058 -22.285 1.00 24.44 H new ATOM 0 HA ASN A 42 -0.149 15.074 -23.766 1.00 72.30 H new ATOM 0 HB2 ASN A 42 -1.174 16.219 -21.164 1.00 15.10 H new ATOM 0 HB3 ASN A 42 -1.834 16.798 -22.681 1.00 15.10 H new ATOM 0 HD21 ASN A 42 -4.215 14.209 -22.435 1.00 31.04 H new ATOM 0 HD22 ASN A 42 -3.889 15.945 -22.424 1.00 31.04 H new ATOM 658 N GLY A 43 1.939 17.092 -23.351 1.00 61.54 N ATOM 659 CA GLY A 43 2.619 18.306 -23.764 1.00 3.01 C ATOM 660 C GLY A 43 2.704 19.331 -22.650 1.00 21.32 C ATOM 661 O GLY A 43 2.983 20.504 -22.896 1.00 25.20 O ATOM 0 H GLY A 43 2.556 16.326 -23.081 1.00 61.54 H new ATOM 0 HA2 GLY A 43 3.625 18.058 -24.103 1.00 3.01 H new ATOM 0 HA3 GLY A 43 2.094 18.741 -24.615 1.00 3.01 H new ATOM 665 N LYS A 44 2.463 18.888 -21.421 1.00 1.43 N ATOM 666 CA LYS A 44 2.513 19.773 -20.264 1.00 3.32 C ATOM 667 C LYS A 44 3.623 19.355 -19.305 1.00 43.55 C ATOM 668 O LYS A 44 3.891 18.166 -19.131 1.00 71.10 O ATOM 669 CB LYS A 44 1.167 19.770 -19.535 1.00 21.43 C ATOM 670 CG LYS A 44 0.218 20.859 -20.004 1.00 65.02 C ATOM 671 CD LYS A 44 -1.228 20.510 -19.695 1.00 15.32 C ATOM 672 CE LYS A 44 -2.105 20.621 -20.933 1.00 41.14 C ATOM 673 NZ LYS A 44 -3.339 19.796 -20.817 1.00 72.41 N ATOM 0 H LYS A 44 2.231 17.920 -21.201 1.00 1.43 H new ATOM 0 HA LYS A 44 2.725 20.781 -20.619 1.00 3.32 H new ATOM 0 HB2 LYS A 44 0.690 18.800 -19.674 1.00 21.43 H new ATOM 0 HB3 LYS A 44 1.342 19.888 -18.466 1.00 21.43 H new ATOM 0 HG2 LYS A 44 0.477 21.801 -19.521 1.00 65.02 H new ATOM 0 HG3 LYS A 44 0.336 21.008 -21.077 1.00 65.02 H new ATOM 0 HD2 LYS A 44 -1.282 19.496 -19.299 1.00 15.32 H new ATOM 0 HD3 LYS A 44 -1.606 21.176 -18.919 1.00 15.32 H new ATOM 0 HE2 LYS A 44 -2.380 21.664 -21.091 1.00 41.14 H new ATOM 0 HE3 LYS A 44 -1.538 20.305 -21.809 1.00 41.14 H new ATOM 0 HZ1 LYS A 44 -3.908 19.900 -21.681 1.00 72.41 H new ATOM 0 HZ2 LYS A 44 -3.078 18.797 -20.692 1.00 72.41 H new ATOM 0 HZ3 LYS A 44 -3.893 20.114 -19.997 1.00 72.41 H new ATOM 687 N LEU A 45 4.266 20.339 -18.687 1.00 24.14 N ATOM 688 CA LEU A 45 5.346 20.073 -17.744 1.00 74.32 C ATOM 689 C LEU A 45 4.839 20.116 -16.306 1.00 11.43 C ATOM 690 O LEU A 45 4.473 21.176 -15.798 1.00 63.42 O ATOM 691 CB LEU A 45 6.474 21.091 -17.929 1.00 1.32 C ATOM 692 CG LEU A 45 7.572 20.703 -18.919 1.00 74.21 C ATOM 693 CD1 LEU A 45 8.630 19.851 -18.236 1.00 63.11 C ATOM 694 CD2 LEU A 45 6.980 19.965 -20.111 1.00 0.12 C ATOM 0 H LEU A 45 4.058 21.328 -18.822 1.00 24.14 H new ATOM 0 HA LEU A 45 5.730 19.073 -17.944 1.00 74.32 H new ATOM 0 HB2 LEU A 45 6.035 22.034 -18.255 1.00 1.32 H new ATOM 0 HB3 LEU A 45 6.935 21.273 -16.958 1.00 1.32 H new ATOM 0 HG LEU A 45 8.046 21.615 -19.281 1.00 74.21 H new ATOM 0 HD11 LEU A 45 9.403 19.584 -18.956 1.00 63.11 H new ATOM 0 HD12 LEU A 45 9.076 20.413 -17.416 1.00 63.11 H new ATOM 0 HD13 LEU A 45 8.170 18.943 -17.845 1.00 63.11 H new ATOM 0 HD21 LEU A 45 7.777 19.697 -20.805 1.00 0.12 H new ATOM 0 HD22 LEU A 45 6.479 19.060 -19.767 1.00 0.12 H new ATOM 0 HD23 LEU A 45 6.260 20.609 -20.616 1.00 0.12 H new ATOM 706 N TYR A 46 4.820 18.958 -15.656 1.00 14.40 N ATOM 707 CA TYR A 46 4.357 18.863 -14.277 1.00 2.05 C ATOM 708 C TYR A 46 5.505 18.499 -13.340 1.00 41.22 C ATOM 709 O TYR A 46 6.472 17.853 -13.745 1.00 75.34 O ATOM 710 CB TYR A 46 3.241 17.822 -14.162 1.00 60.35 C ATOM 711 CG TYR A 46 1.986 18.196 -14.917 1.00 13.40 C ATOM 712 CD1 TYR A 46 1.103 19.143 -14.413 1.00 52.21 C ATOM 713 CD2 TYR A 46 1.682 17.600 -16.136 1.00 10.32 C ATOM 714 CE1 TYR A 46 -0.045 19.486 -15.099 1.00 11.20 C ATOM 715 CE2 TYR A 46 0.536 17.938 -16.829 1.00 75.23 C ATOM 716 CZ TYR A 46 -0.324 18.881 -16.307 1.00 74.21 C ATOM 717 OH TYR A 46 -1.466 19.220 -16.995 1.00 10.34 O ATOM 0 H TYR A 46 5.120 18.072 -16.062 1.00 14.40 H new ATOM 0 HA TYR A 46 3.968 19.838 -13.984 1.00 2.05 H new ATOM 0 HB2 TYR A 46 3.608 16.865 -14.534 1.00 60.35 H new ATOM 0 HB3 TYR A 46 2.994 17.681 -13.110 1.00 60.35 H new ATOM 0 HD1 TYR A 46 1.318 19.619 -13.468 1.00 52.21 H new ATOM 0 HD2 TYR A 46 2.353 16.861 -16.548 1.00 10.32 H new ATOM 0 HE1 TYR A 46 -0.721 20.224 -14.692 1.00 11.20 H new ATOM 0 HE2 TYR A 46 0.315 17.466 -17.775 1.00 75.23 H new ATOM 0 HH TYR A 46 -1.701 20.151 -16.800 1.00 10.34 H new ATOM 727 N LYS A 47 5.392 18.918 -12.084 1.00 54.41 N ATOM 728 CA LYS A 47 6.417 18.635 -11.087 1.00 44.14 C ATOM 729 C LYS A 47 5.790 18.165 -9.779 1.00 44.22 C ATOM 730 O LYS A 47 5.020 18.894 -9.152 1.00 54.34 O ATOM 731 CB LYS A 47 7.270 19.881 -10.838 1.00 20.43 C ATOM 732 CG LYS A 47 8.225 19.739 -9.664 1.00 44.33 C ATOM 733 CD LYS A 47 9.514 20.509 -9.898 1.00 45.41 C ATOM 734 CE LYS A 47 9.610 21.724 -8.986 1.00 35.14 C ATOM 735 NZ LYS A 47 10.628 22.698 -9.466 1.00 63.33 N ATOM 0 H LYS A 47 4.600 19.455 -11.732 1.00 54.41 H new ATOM 0 HA LYS A 47 7.052 17.837 -11.471 1.00 44.14 H new ATOM 0 HB2 LYS A 47 7.844 20.104 -11.738 1.00 20.43 H new ATOM 0 HB3 LYS A 47 6.612 20.732 -10.660 1.00 20.43 H new ATOM 0 HG2 LYS A 47 7.743 20.101 -8.756 1.00 44.33 H new ATOM 0 HG3 LYS A 47 8.453 18.685 -9.505 1.00 44.33 H new ATOM 0 HD2 LYS A 47 10.367 19.854 -9.724 1.00 45.41 H new ATOM 0 HD3 LYS A 47 9.564 20.829 -10.939 1.00 45.41 H new ATOM 0 HE2 LYS A 47 8.638 22.213 -8.929 1.00 35.14 H new ATOM 0 HE3 LYS A 47 9.864 21.401 -7.976 1.00 35.14 H new ATOM 0 HZ1 LYS A 47 10.663 23.511 -8.818 1.00 63.33 H new ATOM 0 HZ2 LYS A 47 11.561 22.239 -9.496 1.00 63.33 H new ATOM 0 HZ3 LYS A 47 10.372 23.026 -10.419 1.00 63.33 H new ATOM 749 N ALA A 48 6.125 16.946 -9.372 1.00 4.32 N ATOM 750 CA ALA A 48 5.597 16.381 -8.137 1.00 3.35 C ATOM 751 C ALA A 48 6.037 17.199 -6.927 1.00 3.31 C ATOM 752 O ALA A 48 7.231 17.356 -6.672 1.00 31.33 O ATOM 753 CB ALA A 48 6.040 14.933 -7.986 1.00 42.22 C ATOM 0 H ALA A 48 6.760 16.330 -9.880 1.00 4.32 H new ATOM 0 HA ALA A 48 4.509 16.413 -8.189 1.00 3.35 H new ATOM 0 HB1 ALA A 48 5.638 14.524 -7.059 1.00 42.22 H new ATOM 0 HB2 ALA A 48 5.671 14.350 -8.830 1.00 42.22 H new ATOM 0 HB3 ALA A 48 7.129 14.886 -7.961 1.00 42.22 H new ATOM 759 N LYS A 49 5.065 17.718 -6.185 1.00 45.11 N ATOM 760 CA LYS A 49 5.351 18.520 -5.001 1.00 62.40 C ATOM 761 C LYS A 49 5.947 17.659 -3.892 1.00 51.30 C ATOM 762 O LYS A 49 6.941 18.034 -3.267 1.00 50.43 O ATOM 763 CB LYS A 49 4.076 19.204 -4.502 1.00 13.10 C ATOM 764 CG LYS A 49 3.435 20.121 -5.529 1.00 11.33 C ATOM 765 CD LYS A 49 2.026 20.516 -5.121 1.00 30.14 C ATOM 766 CE LYS A 49 1.602 21.821 -5.775 1.00 43.35 C ATOM 767 NZ LYS A 49 0.815 22.678 -4.847 1.00 23.15 N ATOM 0 H LYS A 49 4.072 17.598 -6.383 1.00 45.11 H new ATOM 0 HA LYS A 49 6.080 19.282 -5.276 1.00 62.40 H new ATOM 0 HB2 LYS A 49 3.355 18.441 -4.209 1.00 13.10 H new ATOM 0 HB3 LYS A 49 4.310 19.781 -3.608 1.00 13.10 H new ATOM 0 HG2 LYS A 49 4.045 21.017 -5.649 1.00 11.33 H new ATOM 0 HG3 LYS A 49 3.408 19.622 -6.497 1.00 11.33 H new ATOM 0 HD2 LYS A 49 1.330 19.725 -5.400 1.00 30.14 H new ATOM 0 HD3 LYS A 49 1.975 20.618 -4.037 1.00 30.14 H new ATOM 0 HE2 LYS A 49 2.486 22.364 -6.108 1.00 43.35 H new ATOM 0 HE3 LYS A 49 1.007 21.606 -6.663 1.00 43.35 H new ATOM 0 HZ1 LYS A 49 0.545 23.558 -5.331 1.00 23.15 H new ATOM 0 HZ2 LYS A 49 -0.042 22.170 -4.549 1.00 23.15 H new ATOM 0 HZ3 LYS A 49 1.391 22.905 -4.012 1.00 23.15 H new ATOM 781 N TYR A 50 5.335 16.505 -3.652 1.00 62.42 N ATOM 782 CA TYR A 50 5.806 15.591 -2.618 1.00 4.12 C ATOM 783 C TYR A 50 5.594 14.139 -3.036 1.00 73.32 C ATOM 784 O TYR A 50 4.991 13.862 -4.072 1.00 3.44 O ATOM 785 CB TYR A 50 5.080 15.864 -1.299 1.00 30.22 C ATOM 786 CG TYR A 50 3.671 15.319 -1.259 1.00 3.44 C ATOM 787 CD1 TYR A 50 2.718 15.732 -2.184 1.00 20.14 C ATOM 788 CD2 TYR A 50 3.290 14.391 -0.297 1.00 41.24 C ATOM 789 CE1 TYR A 50 1.429 15.237 -2.150 1.00 13.11 C ATOM 790 CE2 TYR A 50 2.003 13.889 -0.259 1.00 21.23 C ATOM 791 CZ TYR A 50 1.076 14.315 -1.187 1.00 62.32 C ATOM 792 OH TYR A 50 -0.207 13.819 -1.150 1.00 61.50 O ATOM 0 H TYR A 50 4.512 16.180 -4.159 1.00 62.42 H new ATOM 0 HA TYR A 50 6.874 15.758 -2.480 1.00 4.12 H new ATOM 0 HB2 TYR A 50 5.653 15.427 -0.481 1.00 30.22 H new ATOM 0 HB3 TYR A 50 5.049 16.940 -1.127 1.00 30.22 H new ATOM 0 HD1 TYR A 50 2.990 16.452 -2.942 1.00 20.14 H new ATOM 0 HD2 TYR A 50 4.012 14.057 0.433 1.00 41.24 H new ATOM 0 HE1 TYR A 50 0.701 15.571 -2.874 1.00 13.11 H new ATOM 0 HE2 TYR A 50 1.724 13.166 0.494 1.00 21.23 H new ATOM 0 HH TYR A 50 -0.698 14.122 -1.942 1.00 61.50 H new ATOM 802 N TRP A 51 6.096 13.218 -2.222 1.00 55.41 N ATOM 803 CA TRP A 51 5.963 11.793 -2.507 1.00 3.51 C ATOM 804 C TRP A 51 4.519 11.440 -2.849 1.00 34.43 C ATOM 805 O TRP A 51 3.623 11.563 -2.012 1.00 73.14 O ATOM 806 CB TRP A 51 6.433 10.967 -1.309 1.00 32.40 C ATOM 807 CG TRP A 51 7.077 9.671 -1.697 1.00 15.42 C ATOM 808 CD1 TRP A 51 8.307 9.504 -2.267 1.00 12.01 C ATOM 809 CD2 TRP A 51 6.521 8.360 -1.548 1.00 14.32 C ATOM 810 NE1 TRP A 51 8.549 8.168 -2.480 1.00 33.54 N ATOM 811 CE2 TRP A 51 7.470 7.445 -2.046 1.00 0.10 C ATOM 812 CE3 TRP A 51 5.316 7.868 -1.039 1.00 41.34 C ATOM 813 CZ2 TRP A 51 7.248 6.071 -2.051 1.00 14.32 C ATOM 814 CZ3 TRP A 51 5.096 6.503 -1.045 1.00 63.21 C ATOM 815 CH2 TRP A 51 6.059 5.617 -1.547 1.00 4.52 C ATOM 0 H TRP A 51 6.598 13.431 -1.360 1.00 55.41 H new ATOM 0 HA TRP A 51 6.589 11.559 -3.368 1.00 3.51 H new ATOM 0 HB2 TRP A 51 7.141 11.556 -0.726 1.00 32.40 H new ATOM 0 HB3 TRP A 51 5.580 10.761 -0.662 1.00 32.40 H new ATOM 0 HD1 TRP A 51 8.989 10.304 -2.514 1.00 12.01 H new ATOM 0 HE1 TRP A 51 9.396 7.778 -2.894 1.00 33.54 H new ATOM 0 HE3 TRP A 51 4.569 8.543 -0.648 1.00 41.34 H new ATOM 0 HZ2 TRP A 51 7.988 5.387 -2.439 1.00 14.32 H new ATOM 0 HZ3 TRP A 51 4.167 6.113 -0.656 1.00 63.21 H new ATOM 0 HH2 TRP A 51 5.859 4.556 -1.536 1.00 4.52 H new ATOM 826 N THR A 52 4.300 10.998 -4.083 1.00 12.04 N ATOM 827 CA THR A 52 2.965 10.626 -4.536 1.00 3.42 C ATOM 828 C THR A 52 3.030 9.761 -5.790 1.00 24.54 C ATOM 829 O THR A 52 3.882 9.966 -6.655 1.00 24.41 O ATOM 830 CB THR A 52 2.105 11.870 -4.828 1.00 51.13 C ATOM 831 OG1 THR A 52 2.309 12.857 -3.810 1.00 14.10 O ATOM 832 CG2 THR A 52 0.630 11.503 -4.898 1.00 3.30 C ATOM 0 H THR A 52 5.030 10.889 -4.787 1.00 12.04 H new ATOM 0 HA THR A 52 2.505 10.056 -3.729 1.00 3.42 H new ATOM 0 HB THR A 52 2.408 12.276 -5.793 1.00 51.13 H new ATOM 0 HG1 THR A 52 1.537 13.460 -3.779 1.00 14.10 H new ATOM 0 HG21 THR A 52 0.042 12.397 -5.105 1.00 3.30 H new ATOM 0 HG22 THR A 52 0.474 10.774 -5.693 1.00 3.30 H new ATOM 0 HG23 THR A 52 0.316 11.075 -3.946 1.00 3.30 H new ATOM 840 N THR A 53 2.123 8.793 -5.882 1.00 42.14 N ATOM 841 CA THR A 53 2.078 7.896 -7.030 1.00 41.13 C ATOM 842 C THR A 53 0.717 7.948 -7.715 1.00 53.51 C ATOM 843 O THR A 53 -0.269 7.423 -7.197 1.00 54.01 O ATOM 844 CB THR A 53 2.379 6.443 -6.620 1.00 72.25 C ATOM 845 OG1 THR A 53 1.698 6.127 -5.401 1.00 33.43 O ATOM 846 CG2 THR A 53 3.875 6.230 -6.441 1.00 50.10 C ATOM 0 H THR A 53 1.410 8.610 -5.176 1.00 42.14 H new ATOM 0 HA THR A 53 2.845 8.235 -7.726 1.00 41.13 H new ATOM 0 HB THR A 53 2.027 5.784 -7.414 1.00 72.25 H new ATOM 0 HG1 THR A 53 0.760 6.402 -5.470 1.00 33.43 H new ATOM 0 HG21 THR A 53 4.063 5.196 -6.151 1.00 50.10 H new ATOM 0 HG22 THR A 53 4.388 6.443 -7.379 1.00 50.10 H new ATOM 0 HG23 THR A 53 4.247 6.898 -5.664 1.00 50.10 H new ATOM 854 N SER A 54 0.670 8.582 -8.882 1.00 45.22 N ATOM 855 CA SER A 54 -0.572 8.704 -9.637 1.00 24.31 C ATOM 856 C SER A 54 -0.374 9.578 -10.871 1.00 53.23 C ATOM 857 O SER A 54 0.486 10.457 -10.909 1.00 61.24 O ATOM 858 CB SER A 54 -1.674 9.291 -8.753 1.00 23.04 C ATOM 859 OG SER A 54 -2.727 8.361 -8.564 1.00 63.41 O ATOM 0 H SER A 54 1.478 9.019 -9.326 1.00 45.22 H new ATOM 0 HA SER A 54 -0.870 7.708 -9.964 1.00 24.31 H new ATOM 0 HB2 SER A 54 -1.257 9.574 -7.787 1.00 23.04 H new ATOM 0 HB3 SER A 54 -2.065 10.200 -9.210 1.00 23.04 H new ATOM 0 HG SER A 54 -2.407 7.610 -8.022 1.00 63.41 H new ATOM 865 N PRO A 55 -1.190 9.331 -11.907 1.00 64.40 N ATOM 866 CA PRO A 55 -1.125 10.085 -13.162 1.00 52.22 C ATOM 867 C PRO A 55 -1.605 11.524 -13.001 1.00 34.42 C ATOM 868 O PRO A 55 -2.411 11.839 -12.126 1.00 61.41 O ATOM 869 CB PRO A 55 -2.064 9.309 -14.090 1.00 13.21 C ATOM 870 CG PRO A 55 -3.018 8.622 -13.175 1.00 53.14 C ATOM 871 CD PRO A 55 -2.239 8.298 -11.931 1.00 73.45 C ATOM 0 HA PRO A 55 -0.104 10.167 -13.536 1.00 52.22 H new ATOM 0 HB2 PRO A 55 -2.585 9.978 -14.776 1.00 13.21 H new ATOM 0 HB3 PRO A 55 -1.514 8.592 -14.700 1.00 13.21 H new ATOM 0 HG2 PRO A 55 -3.869 9.263 -12.946 1.00 53.14 H new ATOM 0 HG3 PRO A 55 -3.415 7.716 -13.634 1.00 53.14 H new ATOM 0 HD2 PRO A 55 -2.867 8.342 -11.041 1.00 73.45 H new ATOM 0 HD3 PRO A 55 -1.814 7.295 -11.973 1.00 73.45 H new ATOM 879 N PRO A 56 -1.100 12.417 -13.865 1.00 0.23 N ATOM 880 CA PRO A 56 -1.464 13.837 -13.838 1.00 35.01 C ATOM 881 C PRO A 56 -2.903 14.074 -14.283 1.00 25.23 C ATOM 882 O PRO A 56 -3.352 13.524 -15.289 1.00 23.41 O ATOM 883 CB PRO A 56 -0.487 14.472 -14.830 1.00 73.42 C ATOM 884 CG PRO A 56 -0.118 13.367 -15.758 1.00 73.42 C ATOM 885 CD PRO A 56 -0.135 12.110 -14.934 1.00 41.01 C ATOM 0 HA PRO A 56 -1.404 14.254 -12.833 1.00 35.01 H new ATOM 0 HB2 PRO A 56 -0.950 15.301 -15.366 1.00 73.42 H new ATOM 0 HB3 PRO A 56 0.390 14.871 -14.321 1.00 73.42 H new ATOM 0 HG2 PRO A 56 -0.824 13.300 -16.586 1.00 73.42 H new ATOM 0 HG3 PRO A 56 0.867 13.535 -16.193 1.00 73.42 H new ATOM 0 HD2 PRO A 56 -0.448 11.248 -15.523 1.00 41.01 H new ATOM 0 HD3 PRO A 56 0.851 11.880 -14.531 1.00 41.01 H new ATOM 893 N SER A 57 -3.623 14.897 -13.526 1.00 15.05 N ATOM 894 CA SER A 57 -5.014 15.204 -13.840 1.00 75.23 C ATOM 895 C SER A 57 -5.625 16.109 -12.774 1.00 73.54 C ATOM 896 O SER A 57 -5.958 17.263 -13.041 1.00 41.35 O ATOM 897 CB SER A 57 -5.829 13.915 -13.959 1.00 44.04 C ATOM 898 OG SER A 57 -5.284 12.890 -13.148 1.00 71.51 O ATOM 0 H SER A 57 -3.266 15.363 -12.692 1.00 15.05 H new ATOM 0 HA SER A 57 -5.037 15.729 -14.795 1.00 75.23 H new ATOM 0 HB2 SER A 57 -6.861 14.105 -13.665 1.00 44.04 H new ATOM 0 HB3 SER A 57 -5.849 13.588 -14.999 1.00 44.04 H new ATOM 0 HG SER A 57 -5.824 12.077 -13.241 1.00 71.51 H new ATOM 904 N ASP A 58 -5.767 15.575 -11.566 1.00 64.34 N ATOM 905 CA ASP A 58 -6.336 16.334 -10.457 1.00 50.11 C ATOM 906 C ASP A 58 -5.587 16.046 -9.160 1.00 34.12 C ATOM 907 O ASP A 58 -5.603 14.921 -8.660 1.00 63.43 O ATOM 908 CB ASP A 58 -7.818 15.999 -10.290 1.00 52.31 C ATOM 909 CG ASP A 58 -8.718 16.962 -11.040 1.00 4.43 C ATOM 910 OD1 ASP A 58 -8.891 18.103 -10.565 1.00 20.52 O ATOM 911 OD2 ASP A 58 -9.250 16.574 -12.101 1.00 2.21 O ATOM 0 H ASP A 58 -5.496 14.620 -11.329 1.00 64.34 H new ATOM 0 HA ASP A 58 -6.235 17.395 -10.685 1.00 50.11 H new ATOM 0 HB2 ASP A 58 -8.000 14.985 -10.645 1.00 52.31 H new ATOM 0 HB3 ASP A 58 -8.074 16.017 -9.231 1.00 52.31 H new ATOM 916 N ASP A 59 -4.932 17.068 -8.622 1.00 71.24 N ATOM 917 CA ASP A 59 -4.176 16.925 -7.383 1.00 31.30 C ATOM 918 C ASP A 59 -4.858 17.673 -6.242 1.00 33.35 C ATOM 919 O ASP A 59 -4.496 18.800 -5.901 1.00 11.41 O ATOM 920 CB ASP A 59 -2.748 17.442 -7.568 1.00 3.33 C ATOM 921 CG ASP A 59 -2.670 18.577 -8.570 1.00 23.41 C ATOM 922 OD1 ASP A 59 -2.757 18.303 -9.785 1.00 75.11 O ATOM 923 OD2 ASP A 59 -2.522 19.739 -8.139 1.00 22.10 O ATOM 0 H ASP A 59 -4.909 18.005 -9.024 1.00 71.24 H new ATOM 0 HA ASP A 59 -4.139 15.866 -7.129 1.00 31.30 H new ATOM 0 HB2 ASP A 59 -2.360 17.781 -6.608 1.00 3.33 H new ATOM 0 HB3 ASP A 59 -2.108 16.624 -7.899 1.00 3.33 H new ATOM 928 N PRO A 60 -5.869 17.034 -5.635 1.00 20.54 N ATOM 929 CA PRO A 60 -6.623 17.619 -4.523 1.00 65.04 C ATOM 930 C PRO A 60 -5.793 17.720 -3.248 1.00 34.13 C ATOM 931 O PRO A 60 -6.179 18.398 -2.296 1.00 71.33 O ATOM 932 CB PRO A 60 -7.786 16.643 -4.328 1.00 73.33 C ATOM 933 CG PRO A 60 -7.281 15.344 -4.855 1.00 53.24 C ATOM 934 CD PRO A 60 -6.354 15.689 -5.988 1.00 11.11 C ATOM 0 HA PRO A 60 -6.938 18.640 -4.738 1.00 65.04 H new ATOM 0 HB2 PRO A 60 -8.064 16.563 -3.277 1.00 73.33 H new ATOM 0 HB3 PRO A 60 -8.674 16.972 -4.868 1.00 73.33 H new ATOM 0 HG2 PRO A 60 -6.758 14.785 -4.079 1.00 53.24 H new ATOM 0 HG3 PRO A 60 -8.103 14.717 -5.200 1.00 53.24 H new ATOM 0 HD2 PRO A 60 -5.535 14.975 -6.068 1.00 11.11 H new ATOM 0 HD3 PRO A 60 -6.873 15.688 -6.946 1.00 11.11 H new ATOM 942 N TYR A 61 -4.651 17.041 -3.237 1.00 33.21 N ATOM 943 CA TYR A 61 -3.766 17.052 -2.078 1.00 14.14 C ATOM 944 C TYR A 61 -2.454 17.760 -2.400 1.00 22.22 C ATOM 945 O TYR A 61 -1.605 17.943 -1.530 1.00 72.23 O ATOM 946 CB TYR A 61 -3.485 15.623 -1.611 1.00 2.12 C ATOM 947 CG TYR A 61 -3.678 14.584 -2.692 1.00 75.23 C ATOM 948 CD1 TYR A 61 -2.757 14.446 -3.723 1.00 64.12 C ATOM 949 CD2 TYR A 61 -4.780 13.738 -2.682 1.00 13.53 C ATOM 950 CE1 TYR A 61 -2.929 13.499 -4.713 1.00 30.33 C ATOM 951 CE2 TYR A 61 -4.961 12.786 -3.667 1.00 61.43 C ATOM 952 CZ TYR A 61 -4.032 12.671 -4.681 1.00 21.30 C ATOM 953 OH TYR A 61 -4.206 11.725 -5.665 1.00 3.31 O ATOM 0 H TYR A 61 -4.316 16.476 -4.018 1.00 33.21 H new ATOM 0 HA TYR A 61 -4.265 17.598 -1.278 1.00 14.14 H new ATOM 0 HB2 TYR A 61 -2.461 15.565 -1.242 1.00 2.12 H new ATOM 0 HB3 TYR A 61 -4.140 15.388 -0.772 1.00 2.12 H new ATOM 0 HD1 TYR A 61 -1.891 15.091 -3.751 1.00 64.12 H new ATOM 0 HD2 TYR A 61 -5.509 13.826 -1.890 1.00 13.53 H new ATOM 0 HE1 TYR A 61 -2.204 13.407 -5.508 1.00 30.33 H new ATOM 0 HE2 TYR A 61 -5.824 12.136 -3.643 1.00 61.43 H new ATOM 0 HH TYR A 61 -5.031 11.224 -5.495 1.00 3.31 H new ATOM 963 N GLY A 62 -2.298 18.159 -3.659 1.00 54.43 N ATOM 964 CA GLY A 62 -1.088 18.843 -4.076 1.00 2.12 C ATOM 965 C GLY A 62 0.049 17.885 -4.369 1.00 3.45 C ATOM 966 O GLY A 62 1.161 18.058 -3.869 1.00 42.35 O ATOM 0 H GLY A 62 -2.988 18.021 -4.397 1.00 54.43 H new ATOM 0 HA2 GLY A 62 -1.298 19.436 -4.966 1.00 2.12 H new ATOM 0 HA3 GLY A 62 -0.780 19.539 -3.295 1.00 2.12 H new ATOM 970 N SER A 63 -0.230 16.869 -5.179 1.00 10.01 N ATOM 971 CA SER A 63 0.777 15.875 -5.534 1.00 21.25 C ATOM 972 C SER A 63 1.577 16.324 -6.753 1.00 54.13 C ATOM 973 O SER A 63 2.683 15.841 -6.995 1.00 33.11 O ATOM 974 CB SER A 63 0.115 14.524 -5.812 1.00 72.34 C ATOM 975 OG SER A 63 -0.814 14.622 -6.877 1.00 10.21 O ATOM 0 H SER A 63 -1.145 16.712 -5.602 1.00 10.01 H new ATOM 0 HA SER A 63 1.461 15.769 -4.692 1.00 21.25 H new ATOM 0 HB2 SER A 63 0.878 13.785 -6.057 1.00 72.34 H new ATOM 0 HB3 SER A 63 -0.392 14.172 -4.914 1.00 72.34 H new ATOM 0 HG SER A 63 -0.331 14.679 -7.728 1.00 10.21 H new ATOM 981 N TRP A 64 1.009 17.250 -7.517 1.00 53.30 N ATOM 982 CA TRP A 64 1.669 17.764 -8.712 1.00 61.12 C ATOM 983 C TRP A 64 1.579 19.285 -8.772 1.00 33.50 C ATOM 984 O TRP A 64 0.702 19.887 -8.154 1.00 1.12 O ATOM 985 CB TRP A 64 1.043 17.154 -9.968 1.00 3.13 C ATOM 986 CG TRP A 64 1.509 15.757 -10.245 1.00 45.32 C ATOM 987 CD1 TRP A 64 0.819 14.601 -10.011 1.00 4.11 C ATOM 988 CD2 TRP A 64 2.767 15.369 -10.807 1.00 11.30 C ATOM 989 NE1 TRP A 64 1.573 13.519 -10.394 1.00 34.24 N ATOM 990 CE2 TRP A 64 2.772 13.962 -10.887 1.00 3.00 C ATOM 991 CE3 TRP A 64 3.888 16.072 -11.254 1.00 62.41 C ATOM 992 CZ2 TRP A 64 3.855 13.250 -11.392 1.00 33.24 C ATOM 993 CZ3 TRP A 64 4.964 15.363 -11.754 1.00 41.40 C ATOM 994 CH2 TRP A 64 4.941 13.964 -11.821 1.00 54.42 C ATOM 0 H TRP A 64 0.094 17.660 -7.331 1.00 53.30 H new ATOM 0 HA TRP A 64 2.721 17.482 -8.665 1.00 61.12 H new ATOM 0 HB2 TRP A 64 -0.042 17.153 -9.861 1.00 3.13 H new ATOM 0 HB3 TRP A 64 1.278 17.785 -10.825 1.00 3.13 H new ATOM 0 HD1 TRP A 64 -0.173 14.546 -9.587 1.00 4.11 H new ATOM 0 HE1 TRP A 64 1.286 12.543 -10.323 1.00 34.24 H new ATOM 0 HE3 TRP A 64 3.914 17.151 -11.210 1.00 62.41 H new ATOM 0 HZ2 TRP A 64 3.839 12.171 -11.444 1.00 33.24 H new ATOM 0 HZ3 TRP A 64 5.837 15.897 -12.099 1.00 41.40 H new ATOM 0 HH2 TRP A 64 5.797 13.439 -12.219 1.00 54.42 H new ATOM 1005 N GLU A 65 2.492 19.898 -9.517 1.00 43.25 N ATOM 1006 CA GLU A 65 2.515 21.350 -9.656 1.00 2.13 C ATOM 1007 C GLU A 65 2.870 21.755 -11.083 1.00 52.30 C ATOM 1008 O GLU A 65 3.995 21.549 -11.537 1.00 54.22 O ATOM 1009 CB GLU A 65 3.517 21.962 -8.676 1.00 72.32 C ATOM 1010 CG GLU A 65 3.425 23.475 -8.577 1.00 22.42 C ATOM 1011 CD GLU A 65 4.750 24.118 -8.215 1.00 23.42 C ATOM 1012 OE1 GLU A 65 5.694 23.378 -7.866 1.00 41.14 O ATOM 1013 OE2 GLU A 65 4.843 25.362 -8.279 1.00 41.41 O ATOM 0 H GLU A 65 3.226 19.413 -10.034 1.00 43.25 H new ATOM 0 HA GLU A 65 1.518 21.727 -9.428 1.00 2.13 H new ATOM 0 HB2 GLU A 65 3.355 21.531 -7.688 1.00 72.32 H new ATOM 0 HB3 GLU A 65 4.526 21.687 -8.982 1.00 72.32 H new ATOM 0 HG2 GLU A 65 3.078 23.877 -9.529 1.00 22.42 H new ATOM 0 HG3 GLU A 65 2.679 23.742 -7.828 1.00 22.42 H new ATOM 1020 N TYR A 66 1.902 22.332 -11.786 1.00 3.21 N ATOM 1021 CA TYR A 66 2.110 22.764 -13.164 1.00 62.30 C ATOM 1022 C TYR A 66 3.079 23.940 -13.225 1.00 60.31 C ATOM 1023 O TYR A 66 2.764 25.044 -12.779 1.00 51.04 O ATOM 1024 CB TYR A 66 0.777 23.153 -13.805 1.00 43.42 C ATOM 1025 CG TYR A 66 0.929 23.931 -15.092 1.00 70.24 C ATOM 1026 CD1 TYR A 66 1.029 25.317 -15.083 1.00 23.31 C ATOM 1027 CD2 TYR A 66 0.974 23.280 -16.319 1.00 63.13 C ATOM 1028 CE1 TYR A 66 1.168 26.032 -16.257 1.00 2.34 C ATOM 1029 CE2 TYR A 66 1.114 23.987 -17.498 1.00 50.24 C ATOM 1030 CZ TYR A 66 1.209 25.363 -17.462 1.00 33.41 C ATOM 1031 OH TYR A 66 1.349 26.071 -18.634 1.00 20.34 O ATOM 0 H TYR A 66 0.965 22.512 -11.425 1.00 3.21 H new ATOM 0 HA TYR A 66 2.543 21.931 -13.718 1.00 62.30 H new ATOM 0 HB2 TYR A 66 0.201 22.249 -14.002 1.00 43.42 H new ATOM 0 HB3 TYR A 66 0.202 23.749 -13.096 1.00 43.42 H new ATOM 0 HD1 TYR A 66 0.997 25.845 -14.141 1.00 23.31 H new ATOM 0 HD2 TYR A 66 0.898 22.203 -16.352 1.00 63.13 H new ATOM 0 HE1 TYR A 66 1.244 27.109 -16.231 1.00 2.34 H new ATOM 0 HE2 TYR A 66 1.149 23.465 -18.443 1.00 50.24 H new ATOM 0 HH TYR A 66 1.361 25.450 -19.392 1.00 20.34 H new ATOM 1041 N LEU A 67 4.261 23.696 -13.780 1.00 41.55 N ATOM 1042 CA LEU A 67 5.279 24.734 -13.902 1.00 72.11 C ATOM 1043 C LEU A 67 5.287 25.328 -15.307 1.00 34.15 C ATOM 1044 O LEU A 67 5.944 26.335 -15.563 1.00 21.11 O ATOM 1045 CB LEU A 67 6.658 24.164 -13.568 1.00 72.53 C ATOM 1046 CG LEU A 67 6.705 23.136 -12.438 1.00 34.20 C ATOM 1047 CD1 LEU A 67 8.123 22.621 -12.243 1.00 65.41 C ATOM 1048 CD2 LEU A 67 6.172 23.739 -11.147 1.00 23.51 C ATOM 0 H LEU A 67 4.538 22.788 -14.153 1.00 41.55 H new ATOM 0 HA LEU A 67 5.040 25.528 -13.195 1.00 72.11 H new ATOM 0 HB2 LEU A 67 7.066 23.704 -14.468 1.00 72.53 H new ATOM 0 HB3 LEU A 67 7.317 24.992 -13.306 1.00 72.53 H new ATOM 0 HG LEU A 67 6.070 22.294 -12.712 1.00 34.20 H new ATOM 0 HD11 LEU A 67 8.137 21.890 -11.434 1.00 65.41 H new ATOM 0 HD12 LEU A 67 8.469 22.150 -13.163 1.00 65.41 H new ATOM 0 HD13 LEU A 67 8.781 23.453 -11.991 1.00 65.41 H new ATOM 0 HD21 LEU A 67 6.213 22.993 -10.353 1.00 23.51 H new ATOM 0 HD22 LEU A 67 6.781 24.599 -10.869 1.00 23.51 H new ATOM 0 HD23 LEU A 67 5.140 24.057 -11.293 1.00 23.51 H new ATOM 1060 N GLY A 68 4.550 24.694 -16.215 1.00 11.32 N ATOM 1061 CA GLY A 68 4.485 25.174 -17.583 1.00 65.12 C ATOM 1062 C GLY A 68 4.146 24.074 -18.569 1.00 2.10 C ATOM 1063 O GLY A 68 3.744 22.980 -18.172 1.00 42.43 O ATOM 0 H GLY A 68 3.997 23.857 -16.027 1.00 11.32 H new ATOM 0 HA2 GLY A 68 3.736 25.963 -17.652 1.00 65.12 H new ATOM 0 HA3 GLY A 68 5.443 25.618 -17.855 1.00 65.12 H new ATOM 1067 N GLU A 69 4.307 24.363 -19.856 1.00 62.11 N ATOM 1068 CA GLU A 69 4.012 23.390 -20.900 1.00 13.32 C ATOM 1069 C GLU A 69 5.268 23.050 -21.698 1.00 51.43 C ATOM 1070 O GLU A 69 6.181 23.868 -21.816 1.00 32.25 O ATOM 1071 CB GLU A 69 2.928 23.927 -21.838 1.00 14.21 C ATOM 1072 CG GLU A 69 1.612 23.174 -21.740 1.00 2.30 C ATOM 1073 CD GLU A 69 0.657 23.521 -22.866 1.00 24.32 C ATOM 1074 OE1 GLU A 69 0.988 24.418 -23.669 1.00 5.11 O ATOM 1075 OE2 GLU A 69 -0.422 22.897 -22.943 1.00 34.21 O ATOM 0 H GLU A 69 4.640 25.263 -20.201 1.00 62.11 H new ATOM 0 HA GLU A 69 3.650 22.480 -20.421 1.00 13.32 H new ATOM 0 HB2 GLU A 69 2.753 24.979 -21.613 1.00 14.21 H new ATOM 0 HB3 GLU A 69 3.290 23.877 -22.865 1.00 14.21 H new ATOM 0 HG2 GLU A 69 1.809 22.102 -21.753 1.00 2.30 H new ATOM 0 HG3 GLU A 69 1.139 23.400 -20.784 1.00 2.30 H new ATOM 1082 N ALA A 70 5.306 21.839 -22.244 1.00 61.23 N ATOM 1083 CA ALA A 70 6.447 21.392 -23.032 1.00 33.33 C ATOM 1084 C ALA A 70 6.750 22.368 -24.163 1.00 21.32 C ATOM 1085 O ALA A 70 7.878 22.842 -24.300 1.00 12.22 O ATOM 1086 CB ALA A 70 6.191 19.998 -23.587 1.00 60.53 C ATOM 0 H ALA A 70 4.559 21.150 -22.155 1.00 61.23 H new ATOM 0 HA ALA A 70 7.318 21.356 -22.377 1.00 33.33 H new ATOM 0 HB1 ALA A 70 7.051 19.676 -24.174 1.00 60.53 H new ATOM 0 HB2 ALA A 70 6.033 19.302 -22.763 1.00 60.53 H new ATOM 0 HB3 ALA A 70 5.305 20.016 -24.222 1.00 60.53 H new ATOM 1092 N GLU A 71 5.737 22.663 -24.971 1.00 14.13 N ATOM 1093 CA GLU A 71 5.897 23.582 -26.092 1.00 30.23 C ATOM 1094 C GLU A 71 4.885 24.722 -26.010 1.00 35.33 C ATOM 1095 O GLU A 71 3.695 24.548 -26.277 1.00 63.22 O ATOM 1096 CB GLU A 71 5.735 22.836 -27.419 1.00 30.42 C ATOM 1097 CG GLU A 71 6.981 22.078 -27.846 1.00 2.01 C ATOM 1098 CD GLU A 71 7.757 22.796 -28.933 1.00 20.12 C ATOM 1099 OE1 GLU A 71 7.803 24.044 -28.902 1.00 14.21 O ATOM 1100 OE2 GLU A 71 8.318 22.111 -29.813 1.00 61.35 O ATOM 0 H GLU A 71 4.797 22.279 -24.871 1.00 14.13 H new ATOM 0 HA GLU A 71 6.900 24.005 -26.041 1.00 30.23 H new ATOM 0 HB2 GLU A 71 4.905 22.135 -27.333 1.00 30.42 H new ATOM 0 HB3 GLU A 71 5.470 23.551 -28.198 1.00 30.42 H new ATOM 0 HG2 GLU A 71 7.627 21.931 -26.980 1.00 2.01 H new ATOM 0 HG3 GLU A 71 6.695 21.088 -28.202 1.00 2.01 H new ATOM 1107 N PRO A 72 5.368 25.914 -25.632 1.00 5.11 N ATOM 1108 CA PRO A 72 4.523 27.106 -25.505 1.00 51.50 C ATOM 1109 C PRO A 72 4.040 27.619 -26.858 1.00 42.22 C ATOM 1110 O PRO A 72 4.714 27.453 -27.875 1.00 33.43 O ATOM 1111 CB PRO A 72 5.449 28.129 -24.845 1.00 74.31 C ATOM 1112 CG PRO A 72 6.823 27.693 -25.219 1.00 75.42 C ATOM 1113 CD PRO A 72 6.775 26.192 -25.299 1.00 31.05 C ATOM 0 HA PRO A 72 3.615 26.904 -24.936 1.00 51.50 H new ATOM 0 HB2 PRO A 72 5.243 29.138 -25.202 1.00 74.31 H new ATOM 0 HB3 PRO A 72 5.318 28.141 -23.763 1.00 74.31 H new ATOM 0 HG2 PRO A 72 7.123 28.125 -26.174 1.00 75.42 H new ATOM 0 HG3 PRO A 72 7.552 28.021 -24.478 1.00 75.42 H new ATOM 0 HD2 PRO A 72 7.452 25.808 -26.062 1.00 31.05 H new ATOM 0 HD3 PRO A 72 7.064 25.730 -24.355 1.00 31.05 H new ATOM 1121 N THR A 73 2.868 28.247 -26.863 1.00 21.42 N ATOM 1122 CA THR A 73 2.294 28.785 -28.090 1.00 74.35 C ATOM 1123 C THR A 73 2.696 30.243 -28.292 1.00 15.34 C ATOM 1124 O THR A 73 3.868 30.550 -28.508 1.00 15.25 O ATOM 1125 CB THR A 73 0.757 28.684 -28.083 1.00 14.01 C ATOM 1126 OG1 THR A 73 0.216 29.512 -27.048 1.00 22.34 O ATOM 1127 CG2 THR A 73 0.311 27.245 -27.875 1.00 25.23 C ATOM 0 H THR A 73 2.298 28.395 -26.030 1.00 21.42 H new ATOM 0 HA THR A 73 2.686 28.186 -28.912 1.00 74.35 H new ATOM 0 HB THR A 73 0.388 29.026 -29.050 1.00 14.01 H new ATOM 0 HG1 THR A 73 -0.762 29.443 -27.052 1.00 22.34 H new ATOM 0 HG21 THR A 73 -0.778 27.198 -27.874 1.00 25.23 H new ATOM 0 HG22 THR A 73 0.700 26.623 -28.681 1.00 25.23 H new ATOM 0 HG23 THR A 73 0.691 26.881 -26.921 1.00 25.23 H new TER 1135 THR A 73