USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.12 (180deg=-0.0472) USER MOD Single : A 9 ASN : amide:sc= 0.0447 X(o=0.045,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0966 K(o=-0.097,f=-0.63) USER MOD Single : A 16 GLN : amide:sc= -8.11! C(o=-8.1!,f=-12!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 63:sc= -0.474 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -130:sc= -1.11 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 175:sc= 0 (180deg=-0.0481) USER MOD Single : A 43 THR OG1 : rot -143:sc= 0.235! USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.257 USER MOD Single : A 46 ASN : amide:sc= -14.2! C(o=-14!,f=-23!) USER MOD Single : A 52 THR OG1 : rot 33:sc= 1.02 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= -0.095 (180deg=-0.794) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.12) USER MOD Single : A 61 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=-0.063) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=0.45) USER MOD Single : A 64 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.074 -6.732 -35.057 1.00 1.00 N ATOM 2 CA MET A 1 46.793 -6.644 -33.754 1.00 1.00 C ATOM 3 C MET A 1 46.587 -7.938 -32.974 1.00 1.00 C ATOM 4 O MET A 1 45.916 -8.858 -33.444 1.00 1.00 O ATOM 5 CB MET A 1 46.249 -5.459 -32.954 1.00 1.00 C ATOM 6 CG MET A 1 46.875 -4.163 -33.471 1.00 1.00 C ATOM 7 SD MET A 1 45.818 -2.762 -33.024 1.00 1.00 S ATOM 8 CE MET A 1 44.742 -2.818 -34.478 1.00 1.00 C ATOM 0 H1 MET A 1 46.713 -6.447 -35.826 1.00 1.00 H new ATOM 0 H2 MET A 1 45.758 -7.710 -35.214 1.00 1.00 H new ATOM 0 H3 MET A 1 45.248 -6.100 -35.041 1.00 1.00 H new ATOM 0 HA MET A 1 47.859 -6.498 -33.930 1.00 1.00 H new ATOM 0 HB2 MET A 1 45.164 -5.413 -33.045 1.00 1.00 H new ATOM 0 HB3 MET A 1 46.475 -5.587 -31.895 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.870 -4.032 -33.045 1.00 1.00 H new ATOM 0 HG3 MET A 1 46.995 -4.211 -34.553 1.00 1.00 H new ATOM 0 HE1 MET A 1 43.998 -2.024 -34.411 1.00 1.00 H new ATOM 0 HE2 MET A 1 45.340 -2.680 -35.379 1.00 1.00 H new ATOM 0 HE3 MET A 1 44.239 -3.784 -34.521 1.00 1.00 H new ATOM 20 N GLU A 2 47.166 -8.002 -31.781 1.00 1.00 N ATOM 21 CA GLU A 2 47.039 -9.190 -30.943 1.00 1.00 C ATOM 22 C GLU A 2 46.923 -8.799 -29.473 1.00 1.00 C ATOM 23 O GLU A 2 47.881 -8.310 -28.874 1.00 1.00 O ATOM 24 CB GLU A 2 48.254 -10.099 -31.137 1.00 1.00 C ATOM 25 CG GLU A 2 49.469 -9.252 -31.521 1.00 1.00 C ATOM 26 CD GLU A 2 50.753 -10.031 -31.253 1.00 1.00 C ATOM 27 OE1 GLU A 2 51.059 -10.249 -30.092 1.00 1.00 O ATOM 28 OE2 GLU A 2 51.410 -10.398 -32.212 1.00 1.00 O ATOM 0 H GLU A 2 47.724 -7.252 -31.374 1.00 1.00 H new ATOM 0 HA GLU A 2 46.136 -9.724 -31.238 1.00 1.00 H new ATOM 0 HB2 GLU A 2 48.458 -10.652 -30.220 1.00 1.00 H new ATOM 0 HB3 GLU A 2 48.050 -10.835 -31.914 1.00 1.00 H new ATOM 0 HG2 GLU A 2 49.413 -8.978 -32.574 1.00 1.00 H new ATOM 0 HG3 GLU A 2 49.471 -8.324 -30.950 1.00 1.00 H new ATOM 35 N GLU A 3 45.745 -9.018 -28.899 1.00 1.00 N ATOM 36 CA GLU A 3 45.516 -8.685 -27.497 1.00 1.00 C ATOM 37 C GLU A 3 44.225 -9.325 -26.999 1.00 1.00 C ATOM 38 O GLU A 3 43.134 -8.798 -27.220 1.00 1.00 O ATOM 39 CB GLU A 3 45.433 -7.167 -27.329 1.00 1.00 C ATOM 40 CG GLU A 3 44.810 -6.837 -25.971 1.00 1.00 C ATOM 41 CD GLU A 3 45.289 -5.469 -25.496 1.00 1.00 C ATOM 42 OE1 GLU A 3 44.875 -4.482 -26.080 1.00 1.00 O ATOM 43 OE2 GLU A 3 46.064 -5.430 -24.554 1.00 1.00 O ATOM 0 H GLU A 3 44.940 -9.421 -29.378 1.00 1.00 H new ATOM 0 HA GLU A 3 46.349 -9.071 -26.910 1.00 1.00 H new ATOM 0 HB2 GLU A 3 46.428 -6.728 -27.401 1.00 1.00 H new ATOM 0 HB3 GLU A 3 44.834 -6.734 -28.130 1.00 1.00 H new ATOM 0 HG2 GLU A 3 43.723 -6.844 -26.049 1.00 1.00 H new ATOM 0 HG3 GLU A 3 45.082 -7.600 -25.242 1.00 1.00 H new ATOM 50 N GLY A 4 44.356 -10.463 -26.325 1.00 1.00 N ATOM 51 CA GLY A 4 43.193 -11.169 -25.799 1.00 1.00 C ATOM 52 C GLY A 4 42.863 -12.387 -26.653 1.00 1.00 C ATOM 53 O GLY A 4 41.699 -12.768 -26.787 1.00 1.00 O ATOM 0 H GLY A 4 45.250 -10.914 -26.131 1.00 1.00 H new ATOM 0 HA2 GLY A 4 43.386 -11.481 -24.773 1.00 1.00 H new ATOM 0 HA3 GLY A 4 42.336 -10.496 -25.772 1.00 1.00 H new ATOM 57 N GLY A 5 43.894 -12.996 -27.231 1.00 1.00 N ATOM 58 CA GLY A 5 43.701 -14.172 -28.071 1.00 1.00 C ATOM 59 C GLY A 5 43.322 -15.386 -27.229 1.00 1.00 C ATOM 60 O GLY A 5 42.418 -16.142 -27.586 1.00 1.00 O ATOM 0 H GLY A 5 44.864 -12.697 -27.134 1.00 1.00 H new ATOM 0 HA2 GLY A 5 42.920 -13.975 -28.805 1.00 1.00 H new ATOM 0 HA3 GLY A 5 44.615 -14.381 -28.627 1.00 1.00 H new ATOM 64 N ASP A 6 44.018 -15.567 -26.112 1.00 1.00 N ATOM 65 CA ASP A 6 43.746 -16.693 -25.228 1.00 1.00 C ATOM 66 C ASP A 6 42.914 -16.245 -24.030 1.00 1.00 C ATOM 67 O ASP A 6 42.481 -15.095 -23.958 1.00 1.00 O ATOM 68 CB ASP A 6 45.060 -17.303 -24.739 1.00 1.00 C ATOM 69 CG ASP A 6 44.922 -18.819 -24.628 1.00 1.00 C ATOM 70 OD1 ASP A 6 44.228 -19.267 -23.731 1.00 1.00 O ATOM 71 OD2 ASP A 6 45.513 -19.509 -25.443 1.00 1.00 O ATOM 0 H ASP A 6 44.770 -14.953 -25.799 1.00 1.00 H new ATOM 0 HA ASP A 6 43.184 -17.442 -25.787 1.00 1.00 H new ATOM 0 HB2 ASP A 6 45.866 -17.052 -25.429 1.00 1.00 H new ATOM 0 HB3 ASP A 6 45.328 -16.882 -23.770 1.00 1.00 H new ATOM 76 N PHE A 7 42.694 -17.162 -23.093 1.00 1.00 N ATOM 77 CA PHE A 7 41.912 -16.849 -21.902 1.00 1.00 C ATOM 78 C PHE A 7 42.527 -17.505 -20.670 1.00 1.00 C ATOM 79 O PHE A 7 43.294 -18.462 -20.782 1.00 1.00 O ATOM 80 CB PHE A 7 40.473 -17.339 -22.079 1.00 1.00 C ATOM 81 CG PHE A 7 39.520 -16.190 -21.851 1.00 1.00 C ATOM 82 CD1 PHE A 7 39.362 -15.207 -22.835 1.00 1.00 C ATOM 83 CD2 PHE A 7 38.792 -16.110 -20.658 1.00 1.00 C ATOM 84 CE1 PHE A 7 38.477 -14.142 -22.624 1.00 1.00 C ATOM 85 CE2 PHE A 7 37.908 -15.046 -20.447 1.00 1.00 C ATOM 86 CZ PHE A 7 37.749 -14.062 -21.431 1.00 1.00 C ATOM 0 H PHE A 7 43.043 -18.120 -23.134 1.00 1.00 H new ATOM 0 HA PHE A 7 41.913 -15.768 -21.763 1.00 1.00 H new ATOM 0 HB2 PHE A 7 40.336 -17.746 -23.081 1.00 1.00 H new ATOM 0 HB3 PHE A 7 40.263 -18.145 -21.376 1.00 1.00 H new ATOM 0 HD1 PHE A 7 39.922 -15.270 -23.756 1.00 1.00 H new ATOM 0 HD2 PHE A 7 38.913 -16.870 -19.900 1.00 1.00 H new ATOM 0 HE1 PHE A 7 38.356 -13.382 -23.382 1.00 1.00 H new ATOM 0 HE2 PHE A 7 37.348 -14.984 -19.525 1.00 1.00 H new ATOM 0 HZ PHE A 7 37.065 -13.242 -21.269 1.00 1.00 H new ATOM 96 N ASP A 8 42.185 -16.986 -19.496 1.00 1.00 N ATOM 97 CA ASP A 8 42.710 -17.530 -18.249 1.00 1.00 C ATOM 98 C ASP A 8 41.632 -17.534 -17.169 1.00 1.00 C ATOM 99 O ASP A 8 41.890 -17.179 -16.019 1.00 1.00 O ATOM 100 CB ASP A 8 43.905 -16.698 -17.778 1.00 1.00 C ATOM 101 CG ASP A 8 44.781 -17.527 -16.845 1.00 1.00 C ATOM 102 OD1 ASP A 8 45.331 -18.515 -17.303 1.00 1.00 O ATOM 103 OD2 ASP A 8 44.890 -17.161 -15.687 1.00 1.00 O ATOM 0 H ASP A 8 41.551 -16.195 -19.382 1.00 1.00 H new ATOM 0 HA ASP A 8 43.031 -18.556 -18.429 1.00 1.00 H new ATOM 0 HB2 ASP A 8 44.488 -16.364 -18.637 1.00 1.00 H new ATOM 0 HB3 ASP A 8 43.555 -15.803 -17.263 1.00 1.00 H new ATOM 108 N ASN A 9 40.424 -17.937 -17.549 1.00 1.00 N ATOM 109 CA ASN A 9 39.314 -17.984 -16.605 1.00 1.00 C ATOM 110 C ASN A 9 39.211 -16.671 -15.838 1.00 1.00 C ATOM 111 O ASN A 9 38.945 -16.660 -14.636 1.00 1.00 O ATOM 112 CB ASN A 9 39.513 -19.139 -15.623 1.00 1.00 C ATOM 113 CG ASN A 9 38.163 -19.617 -15.099 1.00 1.00 C ATOM 114 OD1 ASN A 9 37.558 -20.522 -15.675 1.00 1.00 O ATOM 115 ND2 ASN A 9 37.651 -19.060 -14.036 1.00 1.00 N ATOM 0 H ASN A 9 40.190 -18.234 -18.496 1.00 1.00 H new ATOM 0 HA ASN A 9 38.391 -18.139 -17.163 1.00 1.00 H new ATOM 0 HB2 ASN A 9 40.033 -19.961 -16.116 1.00 1.00 H new ATOM 0 HB3 ASN A 9 40.141 -18.817 -14.793 1.00 1.00 H new ATOM 0 HD21 ASN A 9 36.748 -19.374 -13.680 1.00 1.00 H new ATOM 0 HD22 ASN A 9 38.154 -18.311 -13.561 1.00 1.00 H new ATOM 122 N TYR A 10 39.422 -15.565 -16.544 1.00 1.00 N ATOM 123 CA TYR A 10 39.352 -14.247 -15.923 1.00 1.00 C ATOM 124 C TYR A 10 38.117 -14.141 -15.033 1.00 1.00 C ATOM 125 O TYR A 10 37.025 -13.824 -15.505 1.00 1.00 O ATOM 126 CB TYR A 10 39.302 -13.163 -17.001 1.00 1.00 C ATOM 127 CG TYR A 10 39.787 -11.856 -16.423 1.00 1.00 C ATOM 128 CD1 TYR A 10 41.153 -11.656 -16.193 1.00 1.00 C ATOM 129 CD2 TYR A 10 38.870 -10.843 -16.117 1.00 1.00 C ATOM 130 CE1 TYR A 10 41.603 -10.443 -15.657 1.00 1.00 C ATOM 131 CE2 TYR A 10 39.320 -9.630 -15.580 1.00 1.00 C ATOM 132 CZ TYR A 10 40.686 -9.431 -15.351 1.00 1.00 C ATOM 133 OH TYR A 10 41.129 -8.235 -14.823 1.00 1.00 O ATOM 0 H TYR A 10 39.641 -15.554 -17.540 1.00 1.00 H new ATOM 0 HA TYR A 10 40.242 -14.106 -15.310 1.00 1.00 H new ATOM 0 HB2 TYR A 10 39.923 -13.450 -17.850 1.00 1.00 H new ATOM 0 HB3 TYR A 10 38.284 -13.052 -17.374 1.00 1.00 H new ATOM 0 HD1 TYR A 10 41.860 -12.437 -16.429 1.00 1.00 H new ATOM 0 HD2 TYR A 10 37.816 -10.997 -16.295 1.00 1.00 H new ATOM 0 HE1 TYR A 10 42.657 -10.289 -15.480 1.00 1.00 H new ATOM 0 HE2 TYR A 10 38.613 -8.849 -15.343 1.00 1.00 H new ATOM 0 HH TYR A 10 40.364 -7.642 -14.670 1.00 1.00 H new ATOM 143 N TYR A 11 38.298 -14.407 -13.744 1.00 1.00 N ATOM 144 CA TYR A 11 37.191 -14.337 -12.796 1.00 1.00 C ATOM 145 C TYR A 11 36.559 -12.950 -12.813 1.00 1.00 C ATOM 146 O TYR A 11 36.837 -12.140 -13.698 1.00 1.00 O ATOM 147 CB TYR A 11 37.690 -14.656 -11.386 1.00 1.00 C ATOM 148 CG TYR A 11 38.874 -13.778 -11.060 1.00 1.00 C ATOM 149 CD1 TYR A 11 38.671 -12.485 -10.565 1.00 1.00 C ATOM 150 CD2 TYR A 11 40.175 -14.259 -11.252 1.00 1.00 C ATOM 151 CE1 TYR A 11 39.770 -11.671 -10.262 1.00 1.00 C ATOM 152 CE2 TYR A 11 41.274 -13.445 -10.950 1.00 1.00 C ATOM 153 CZ TYR A 11 41.071 -12.151 -10.455 1.00 1.00 C ATOM 154 OH TYR A 11 42.154 -11.350 -10.157 1.00 1.00 O ATOM 0 H TYR A 11 39.194 -14.671 -13.333 1.00 1.00 H new ATOM 0 HA TYR A 11 36.439 -15.070 -13.089 1.00 1.00 H new ATOM 0 HB2 TYR A 11 36.892 -14.493 -10.661 1.00 1.00 H new ATOM 0 HB3 TYR A 11 37.973 -15.706 -11.318 1.00 1.00 H new ATOM 0 HD1 TYR A 11 37.667 -12.115 -10.417 1.00 1.00 H new ATOM 0 HD2 TYR A 11 40.331 -15.257 -11.633 1.00 1.00 H new ATOM 0 HE1 TYR A 11 39.614 -10.673 -9.880 1.00 1.00 H new ATOM 0 HE2 TYR A 11 42.278 -13.815 -11.099 1.00 1.00 H new ATOM 0 HH TYR A 11 42.983 -11.837 -10.348 1.00 1.00 H new ATOM 164 N GLY A 12 35.706 -12.682 -11.830 1.00 1.00 N ATOM 165 CA GLY A 12 35.039 -11.388 -11.741 1.00 1.00 C ATOM 166 C GLY A 12 33.894 -11.433 -10.736 1.00 1.00 C ATOM 167 O GLY A 12 33.880 -10.682 -9.761 1.00 1.00 O ATOM 0 H GLY A 12 35.461 -13.338 -11.089 1.00 1.00 H new ATOM 0 HA2 GLY A 12 35.758 -10.624 -11.445 1.00 1.00 H new ATOM 0 HA3 GLY A 12 34.657 -11.104 -12.721 1.00 1.00 H new ATOM 171 N ALA A 13 32.933 -12.319 -10.980 1.00 1.00 N ATOM 172 CA ALA A 13 31.787 -12.453 -10.089 1.00 1.00 C ATOM 173 C ALA A 13 32.191 -13.165 -8.801 1.00 1.00 C ATOM 174 O ALA A 13 31.856 -14.331 -8.594 1.00 1.00 O ATOM 175 CB ALA A 13 30.675 -13.243 -10.782 1.00 1.00 C ATOM 0 H ALA A 13 32.925 -12.950 -11.781 1.00 1.00 H new ATOM 0 HA ALA A 13 31.424 -11.455 -9.842 1.00 1.00 H new ATOM 0 HB1 ALA A 13 29.823 -13.338 -10.109 1.00 1.00 H new ATOM 0 HB2 ALA A 13 30.366 -12.719 -11.687 1.00 1.00 H new ATOM 0 HB3 ALA A 13 31.043 -14.235 -11.045 1.00 1.00 H new ATOM 181 N ASP A 14 32.911 -12.454 -7.940 1.00 1.00 N ATOM 182 CA ASP A 14 33.355 -13.028 -6.674 1.00 1.00 C ATOM 183 C ASP A 14 33.175 -12.025 -5.539 1.00 1.00 C ATOM 184 O ASP A 14 34.130 -11.687 -4.838 1.00 1.00 O ATOM 185 CB ASP A 14 34.829 -13.431 -6.772 1.00 1.00 C ATOM 186 CG ASP A 14 35.625 -12.329 -7.463 1.00 1.00 C ATOM 187 OD1 ASP A 14 36.106 -11.450 -6.768 1.00 1.00 O ATOM 188 OD2 ASP A 14 35.743 -12.382 -8.676 1.00 1.00 O ATOM 0 H ASP A 14 33.198 -11.487 -8.093 1.00 1.00 H new ATOM 0 HA ASP A 14 32.750 -13.910 -6.464 1.00 1.00 H new ATOM 0 HB2 ASP A 14 35.232 -13.612 -5.776 1.00 1.00 H new ATOM 0 HB3 ASP A 14 34.924 -14.363 -7.329 1.00 1.00 H new ATOM 193 N ASN A 15 31.945 -11.553 -5.363 1.00 1.00 N ATOM 194 CA ASN A 15 31.652 -10.589 -4.309 1.00 1.00 C ATOM 195 C ASN A 15 30.258 -10.831 -3.736 1.00 1.00 C ATOM 196 O ASN A 15 30.116 -11.472 -2.696 1.00 1.00 O ATOM 197 CB ASN A 15 31.739 -9.166 -4.863 1.00 1.00 C ATOM 198 CG ASN A 15 33.194 -8.710 -4.895 1.00 1.00 C ATOM 199 OD1 ASN A 15 33.918 -8.872 -3.913 1.00 1.00 O ATOM 200 ND2 ASN A 15 33.669 -8.149 -5.974 1.00 1.00 N ATOM 0 H ASN A 15 31.141 -11.820 -5.932 1.00 1.00 H new ATOM 0 HA ASN A 15 32.387 -10.713 -3.513 1.00 1.00 H new ATOM 0 HB2 ASN A 15 31.315 -9.131 -5.867 1.00 1.00 H new ATOM 0 HB3 ASN A 15 31.150 -8.489 -4.244 1.00 1.00 H new ATOM 0 HD21 ASN A 15 34.642 -7.844 -6.004 1.00 1.00 H new ATOM 0 HD22 ASN A 15 33.067 -8.016 -6.787 1.00 1.00 H new ATOM 207 N GLN A 16 29.243 -10.311 -4.434 1.00 1.00 N ATOM 208 CA GLN A 16 27.846 -10.458 -4.018 1.00 1.00 C ATOM 209 C GLN A 16 27.721 -10.622 -2.507 1.00 1.00 C ATOM 210 O GLN A 16 27.013 -11.507 -2.024 1.00 1.00 O ATOM 211 CB GLN A 16 27.212 -11.660 -4.722 1.00 1.00 C ATOM 212 CG GLN A 16 28.107 -12.892 -4.561 1.00 1.00 C ATOM 213 CD GLN A 16 29.266 -12.825 -5.549 1.00 1.00 C ATOM 214 OE1 GLN A 16 29.326 -11.915 -6.376 1.00 1.00 O ATOM 215 NE2 GLN A 16 30.198 -13.739 -5.513 1.00 1.00 N ATOM 0 H GLN A 16 29.366 -9.781 -5.296 1.00 1.00 H new ATOM 0 HA GLN A 16 27.320 -9.547 -4.302 1.00 1.00 H new ATOM 0 HB2 GLN A 16 26.226 -11.859 -4.303 1.00 1.00 H new ATOM 0 HB3 GLN A 16 27.070 -11.439 -5.780 1.00 1.00 H new ATOM 0 HG2 GLN A 16 28.489 -12.944 -3.542 1.00 1.00 H new ATOM 0 HG3 GLN A 16 27.526 -13.799 -4.730 1.00 1.00 H new ATOM 0 HE21 GLN A 16 30.147 -14.492 -4.827 1.00 1.00 H new ATOM 0 HE22 GLN A 16 30.977 -13.699 -6.171 1.00 1.00 H new ATOM 224 N SER A 17 28.414 -9.764 -1.768 1.00 1.00 N ATOM 225 CA SER A 17 28.374 -9.819 -0.311 1.00 1.00 C ATOM 226 C SER A 17 28.496 -8.418 0.281 1.00 1.00 C ATOM 227 O SER A 17 29.443 -7.689 -0.016 1.00 1.00 O ATOM 228 CB SER A 17 29.515 -10.696 0.208 1.00 1.00 C ATOM 229 OG SER A 17 29.655 -10.503 1.609 1.00 1.00 O ATOM 0 H SER A 17 29.007 -9.027 -2.150 1.00 1.00 H new ATOM 0 HA SER A 17 27.419 -10.247 -0.007 1.00 1.00 H new ATOM 0 HB2 SER A 17 29.310 -11.745 -0.008 1.00 1.00 H new ATOM 0 HB3 SER A 17 30.445 -10.442 -0.301 1.00 1.00 H new ATOM 0 HG SER A 17 30.384 -11.065 1.945 1.00 1.00 H new ATOM 235 N GLU A 18 27.534 -8.050 1.119 1.00 1.00 N ATOM 236 CA GLU A 18 27.542 -6.734 1.748 1.00 1.00 C ATOM 237 C GLU A 18 27.166 -6.842 3.222 1.00 1.00 C ATOM 238 O GLU A 18 26.102 -7.356 3.565 1.00 1.00 O ATOM 239 CB GLU A 18 26.556 -5.808 1.034 1.00 1.00 C ATOM 240 CG GLU A 18 27.290 -4.556 0.549 1.00 1.00 C ATOM 241 CD GLU A 18 26.294 -3.565 -0.043 1.00 1.00 C ATOM 242 OE1 GLU A 18 25.337 -4.009 -0.657 1.00 1.00 O ATOM 243 OE2 GLU A 18 26.501 -2.374 0.127 1.00 1.00 O ATOM 0 H GLU A 18 26.743 -8.640 1.378 1.00 1.00 H new ATOM 0 HA GLU A 18 28.548 -6.322 1.671 1.00 1.00 H new ATOM 0 HB2 GLU A 18 26.101 -6.326 0.189 1.00 1.00 H new ATOM 0 HB3 GLU A 18 25.748 -5.529 1.710 1.00 1.00 H new ATOM 0 HG2 GLU A 18 27.826 -4.094 1.378 1.00 1.00 H new ATOM 0 HG3 GLU A 18 28.034 -4.828 -0.200 1.00 1.00 H new ATOM 250 N CYS A 19 28.047 -6.352 4.089 1.00 1.00 N ATOM 251 CA CYS A 19 27.796 -6.400 5.525 1.00 1.00 C ATOM 252 C CYS A 19 29.017 -5.908 6.298 1.00 1.00 C ATOM 253 O CYS A 19 30.046 -6.581 6.345 1.00 1.00 O ATOM 254 CB CYS A 19 27.463 -7.831 5.951 1.00 1.00 C ATOM 255 SG CYS A 19 25.692 -7.960 6.296 1.00 1.00 S ATOM 0 H CYS A 19 28.933 -5.921 3.825 1.00 1.00 H new ATOM 0 HA CYS A 19 26.950 -5.750 5.749 1.00 1.00 H new ATOM 0 HB2 CYS A 19 27.743 -8.531 5.164 1.00 1.00 H new ATOM 0 HB3 CYS A 19 28.038 -8.101 6.837 1.00 1.00 H new ATOM 0 HG CYS A 19 25.020 -7.721 5.209 1.00 1.00 H new ATOM 261 N GLU A 20 28.893 -4.731 6.902 1.00 1.00 N ATOM 262 CA GLU A 20 29.993 -4.158 7.669 1.00 1.00 C ATOM 263 C GLU A 20 31.115 -3.703 6.740 1.00 1.00 C ATOM 264 O GLU A 20 32.187 -3.304 7.195 1.00 1.00 O ATOM 265 CB GLU A 20 30.535 -5.193 8.657 1.00 1.00 C ATOM 266 CG GLU A 20 31.131 -4.477 9.870 1.00 1.00 C ATOM 267 CD GLU A 20 31.732 -5.495 10.833 1.00 1.00 C ATOM 268 OE1 GLU A 20 31.396 -6.662 10.716 1.00 1.00 O ATOM 269 OE2 GLU A 20 32.521 -5.094 11.673 1.00 1.00 O ATOM 0 H GLU A 20 28.049 -4.159 6.876 1.00 1.00 H new ATOM 0 HA GLU A 20 29.617 -3.294 8.217 1.00 1.00 H new ATOM 0 HB2 GLU A 20 29.736 -5.863 8.973 1.00 1.00 H new ATOM 0 HB3 GLU A 20 31.295 -5.808 8.175 1.00 1.00 H new ATOM 0 HG2 GLU A 20 31.898 -3.773 9.547 1.00 1.00 H new ATOM 0 HG3 GLU A 20 30.359 -3.897 10.376 1.00 1.00 H new ATOM 276 N TYR A 21 30.859 -3.767 5.437 1.00 1.00 N ATOM 277 CA TYR A 21 31.856 -3.359 4.454 1.00 1.00 C ATOM 278 C TYR A 21 32.217 -1.887 4.635 1.00 1.00 C ATOM 279 O TYR A 21 33.059 -1.352 3.915 1.00 1.00 O ATOM 280 CB TYR A 21 31.316 -3.583 3.040 1.00 1.00 C ATOM 281 CG TYR A 21 30.367 -2.467 2.679 1.00 1.00 C ATOM 282 CD1 TYR A 21 29.074 -2.445 3.216 1.00 1.00 C ATOM 283 CD2 TYR A 21 30.780 -1.451 1.809 1.00 1.00 C ATOM 284 CE1 TYR A 21 28.193 -1.410 2.881 1.00 1.00 C ATOM 285 CE2 TYR A 21 29.899 -0.414 1.474 1.00 1.00 C ATOM 286 CZ TYR A 21 28.607 -0.394 2.011 1.00 1.00 C ATOM 287 OH TYR A 21 27.739 0.628 1.681 1.00 1.00 O ATOM 0 H TYR A 21 29.978 -4.094 5.040 1.00 1.00 H new ATOM 0 HA TYR A 21 32.752 -3.962 4.601 1.00 1.00 H new ATOM 0 HB2 TYR A 21 32.139 -3.619 2.327 1.00 1.00 H new ATOM 0 HB3 TYR A 21 30.803 -4.543 2.983 1.00 1.00 H new ATOM 0 HD1 TYR A 21 28.756 -3.227 3.889 1.00 1.00 H new ATOM 0 HD2 TYR A 21 31.778 -1.466 1.396 1.00 1.00 H new ATOM 0 HE1 TYR A 21 27.195 -1.395 3.293 1.00 1.00 H new ATOM 0 HE2 TYR A 21 30.217 0.369 0.802 1.00 1.00 H new ATOM 0 HH TYR A 21 28.184 1.250 1.068 1.00 1.00 H new ATOM 297 N THR A 22 31.574 -1.240 5.601 1.00 1.00 N ATOM 298 CA THR A 22 31.836 0.169 5.869 1.00 1.00 C ATOM 299 C THR A 22 32.897 0.320 6.953 1.00 1.00 C ATOM 300 O THR A 22 33.745 1.210 6.887 1.00 1.00 O ATOM 301 CB THR A 22 30.547 0.865 6.313 1.00 1.00 C ATOM 302 OG1 THR A 22 29.653 0.950 5.211 1.00 1.00 O ATOM 303 CG2 THR A 22 30.871 2.271 6.819 1.00 1.00 C ATOM 0 H THR A 22 30.873 -1.665 6.207 1.00 1.00 H new ATOM 0 HA THR A 22 32.201 0.632 4.952 1.00 1.00 H new ATOM 0 HB THR A 22 30.083 0.292 7.115 1.00 1.00 H new ATOM 0 HG1 THR A 22 28.826 1.394 5.494 1.00 1.00 H new ATOM 0 HG21 THR A 22 29.952 2.765 7.135 1.00 1.00 H new ATOM 0 HG22 THR A 22 31.556 2.205 7.664 1.00 1.00 H new ATOM 0 HG23 THR A 22 31.336 2.847 6.019 1.00 1.00 H new ATOM 311 N ASP A 23 32.845 -0.555 7.952 1.00 1.00 N ATOM 312 CA ASP A 23 33.808 -0.511 9.046 1.00 1.00 C ATOM 313 C ASP A 23 34.909 -1.545 8.833 1.00 1.00 C ATOM 314 O ASP A 23 35.490 -2.053 9.793 1.00 1.00 O ATOM 315 CB ASP A 23 33.101 -0.781 10.375 1.00 1.00 C ATOM 316 CG ASP A 23 34.027 -0.438 11.537 1.00 1.00 C ATOM 317 OD1 ASP A 23 34.623 0.626 11.500 1.00 1.00 O ATOM 318 OD2 ASP A 23 34.128 -1.245 12.446 1.00 1.00 O ATOM 0 H ASP A 23 32.151 -1.299 8.027 1.00 1.00 H new ATOM 0 HA ASP A 23 34.258 0.482 9.069 1.00 1.00 H new ATOM 0 HB2 ASP A 23 32.189 -0.187 10.438 1.00 1.00 H new ATOM 0 HB3 ASP A 23 32.804 -1.828 10.432 1.00 1.00 H new ATOM 323 N TRP A 24 35.190 -1.851 7.571 1.00 1.00 N ATOM 324 CA TRP A 24 36.223 -2.827 7.242 1.00 1.00 C ATOM 325 C TRP A 24 37.530 -2.488 7.957 1.00 1.00 C ATOM 326 O TRP A 24 37.673 -2.733 9.155 1.00 1.00 O ATOM 327 CB TRP A 24 36.444 -2.866 5.726 1.00 1.00 C ATOM 328 CG TRP A 24 36.266 -1.496 5.148 1.00 1.00 C ATOM 329 CD1 TRP A 24 36.489 -0.335 5.804 1.00 1.00 C ATOM 330 CD2 TRP A 24 35.834 -1.131 3.805 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.220 0.720 4.951 1.00 1.00 N ATOM 332 CE2 TRP A 24 35.812 0.280 3.707 1.00 1.00 C ATOM 333 CE3 TRP A 24 35.460 -1.880 2.674 1.00 1.00 C ATOM 334 CZ2 TRP A 24 35.435 0.926 2.529 1.00 1.00 C ATOM 335 CZ3 TRP A 24 35.080 -1.233 1.487 1.00 1.00 C ATOM 336 CH2 TRP A 24 35.067 0.166 1.415 1.00 1.00 C ATOM 0 H TRP A 24 34.721 -1.441 6.764 1.00 1.00 H new ATOM 0 HA TRP A 24 35.892 -3.810 7.578 1.00 1.00 H new ATOM 0 HB2 TRP A 24 37.445 -3.236 5.505 1.00 1.00 H new ATOM 0 HB3 TRP A 24 35.740 -3.559 5.265 1.00 1.00 H new ATOM 0 HD1 TRP A 24 36.823 -0.246 6.827 1.00 1.00 H new ATOM 0 HE1 TRP A 24 36.312 1.703 5.209 1.00 1.00 H new ATOM 0 HE3 TRP A 24 35.465 -2.959 2.719 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 35.428 2.005 2.478 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 34.796 -1.817 0.624 1.00 1.00 H new ATOM 0 HH2 TRP A 24 34.773 0.657 0.499 1.00 1.00 H new ATOM 347 N LYS A 25 38.482 -1.925 7.219 1.00 1.00 N ATOM 348 CA LYS A 25 39.771 -1.561 7.798 1.00 1.00 C ATOM 349 C LYS A 25 39.744 -0.120 8.299 1.00 1.00 C ATOM 350 O LYS A 25 40.205 0.794 7.615 1.00 1.00 O ATOM 351 CB LYS A 25 40.877 -1.724 6.756 1.00 1.00 C ATOM 352 CG LYS A 25 40.503 -0.958 5.487 1.00 1.00 C ATOM 353 CD LYS A 25 41.645 -0.014 5.107 1.00 1.00 C ATOM 354 CE LYS A 25 41.257 0.783 3.861 1.00 1.00 C ATOM 355 NZ LYS A 25 42.304 0.612 2.814 1.00 1.00 N ATOM 0 H LYS A 25 38.387 -1.712 6.226 1.00 1.00 H new ATOM 0 HA LYS A 25 39.970 -2.222 8.641 1.00 1.00 H new ATOM 0 HB2 LYS A 25 41.822 -1.352 7.152 1.00 1.00 H new ATOM 0 HB3 LYS A 25 41.021 -2.780 6.526 1.00 1.00 H new ATOM 0 HG2 LYS A 25 40.307 -1.656 4.673 1.00 1.00 H new ATOM 0 HG3 LYS A 25 39.586 -0.391 5.648 1.00 1.00 H new ATOM 0 HD2 LYS A 25 41.860 0.664 5.933 1.00 1.00 H new ATOM 0 HD3 LYS A 25 42.554 -0.584 4.918 1.00 1.00 H new ATOM 0 HE2 LYS A 25 40.292 0.442 3.485 1.00 1.00 H new ATOM 0 HE3 LYS A 25 41.147 1.838 4.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 42.040 1.154 1.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 43.216 0.957 3.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 42.388 -0.395 2.568 1.00 1.00 H new ATOM 369 N SER A 26 39.202 0.075 9.497 1.00 1.00 N ATOM 370 CA SER A 26 39.121 1.408 10.081 1.00 1.00 C ATOM 371 C SER A 26 40.205 1.599 11.136 1.00 1.00 C ATOM 372 O SER A 26 40.940 2.586 11.114 1.00 1.00 O ATOM 373 CB SER A 26 37.746 1.617 10.716 1.00 1.00 C ATOM 374 OG SER A 26 37.382 2.987 10.608 1.00 1.00 O ATOM 0 H SER A 26 38.815 -0.668 10.079 1.00 1.00 H new ATOM 0 HA SER A 26 39.270 2.141 9.288 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.004 0.992 10.219 1.00 1.00 H new ATOM 0 HB3 SER A 26 37.767 1.316 11.763 1.00 1.00 H new ATOM 0 HG SER A 26 36.500 3.124 11.013 1.00 1.00 H new ATOM 380 N SER A 27 40.297 0.648 12.061 1.00 1.00 N ATOM 381 CA SER A 27 41.295 0.723 13.121 1.00 1.00 C ATOM 382 C SER A 27 41.601 -0.668 13.671 1.00 1.00 C ATOM 383 O SER A 27 42.157 -0.807 14.761 1.00 1.00 O ATOM 384 CB SER A 27 40.788 1.622 14.249 1.00 1.00 C ATOM 385 OG SER A 27 39.373 1.517 14.331 1.00 1.00 O ATOM 0 H SER A 27 39.698 -0.177 12.098 1.00 1.00 H new ATOM 0 HA SER A 27 42.211 1.143 12.705 1.00 1.00 H new ATOM 0 HB2 SER A 27 41.242 1.329 15.196 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.078 2.656 14.064 1.00 1.00 H new ATOM 0 HG SER A 27 38.979 2.414 14.347 1.00 1.00 H new ATOM 391 N GLY A 28 41.234 -1.694 12.911 1.00 1.00 N ATOM 392 CA GLY A 28 41.475 -3.069 13.333 1.00 1.00 C ATOM 393 C GLY A 28 40.814 -3.349 14.678 1.00 1.00 C ATOM 394 O GLY A 28 41.074 -4.375 15.307 1.00 1.00 O ATOM 0 H GLY A 28 40.772 -1.601 12.006 1.00 1.00 H new ATOM 0 HA2 GLY A 28 41.087 -3.757 12.582 1.00 1.00 H new ATOM 0 HA3 GLY A 28 42.548 -3.249 13.406 1.00 1.00 H new ATOM 398 N ALA A 29 39.956 -2.432 15.112 1.00 1.00 N ATOM 399 CA ALA A 29 39.261 -2.591 16.385 1.00 1.00 C ATOM 400 C ALA A 29 40.260 -2.805 17.518 1.00 1.00 C ATOM 401 O ALA A 29 39.888 -3.230 18.613 1.00 1.00 O ATOM 402 CB ALA A 29 38.306 -3.783 16.313 1.00 1.00 C ATOM 0 H ALA A 29 39.726 -1.577 14.606 1.00 1.00 H new ATOM 0 HA ALA A 29 38.693 -1.682 16.583 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.791 -3.895 17.267 1.00 1.00 H new ATOM 0 HB2 ALA A 29 37.574 -3.615 15.523 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.871 -4.690 16.097 1.00 1.00 H new ATOM 408 N LEU A 30 41.528 -2.508 17.246 1.00 1.00 N ATOM 409 CA LEU A 30 42.578 -2.670 18.247 1.00 1.00 C ATOM 410 C LEU A 30 43.076 -1.310 18.727 1.00 1.00 C ATOM 411 O LEU A 30 44.260 -1.004 18.615 1.00 1.00 O ATOM 412 CB LEU A 30 43.745 -3.462 17.654 1.00 1.00 C ATOM 413 CG LEU A 30 43.312 -4.909 17.419 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.872 -5.399 16.082 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.848 -5.792 18.548 1.00 1.00 C ATOM 0 H LEU A 30 41.852 -2.156 16.345 1.00 1.00 H new ATOM 0 HA LEU A 30 42.164 -3.213 19.097 1.00 1.00 H new ATOM 0 HB2 LEU A 30 44.065 -3.010 16.715 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.599 -3.432 18.330 1.00 1.00 H new ATOM 0 HG LEU A 30 42.223 -4.963 17.400 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.563 -6.431 15.914 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.492 -4.771 15.276 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.960 -5.345 16.102 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.539 -6.824 18.381 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.936 -5.737 18.567 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.451 -5.445 19.502 1.00 1.00 H new ATOM 427 N ILE A 31 42.158 -0.506 19.262 1.00 1.00 N ATOM 428 CA ILE A 31 42.484 0.830 19.773 1.00 1.00 C ATOM 429 C ILE A 31 41.201 1.606 20.078 1.00 1.00 C ATOM 430 O ILE A 31 41.120 2.300 21.092 1.00 1.00 O ATOM 431 CB ILE A 31 43.370 1.617 18.772 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.787 1.778 19.358 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.788 3.015 18.470 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.776 2.750 20.544 1.00 1.00 C ATOM 0 H ILE A 31 41.174 -0.757 19.354 1.00 1.00 H new ATOM 0 HA ILE A 31 43.052 0.709 20.695 1.00 1.00 H new ATOM 0 HB ILE A 31 43.403 1.053 17.840 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.165 0.808 19.680 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.465 2.144 18.587 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.437 3.535 17.765 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.793 2.909 18.037 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.722 3.589 19.394 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.786 2.849 20.943 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.420 3.725 20.212 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.115 2.368 21.322 1.00 1.00 H new ATOM 446 N PRO A 32 40.204 1.513 19.228 1.00 1.00 N ATOM 447 CA PRO A 32 38.913 2.236 19.428 1.00 1.00 C ATOM 448 C PRO A 32 38.156 1.731 20.654 1.00 1.00 C ATOM 449 O PRO A 32 37.571 2.516 21.400 1.00 1.00 O ATOM 450 CB PRO A 32 38.118 1.957 18.143 1.00 1.00 C ATOM 451 CG PRO A 32 39.102 1.401 17.165 1.00 1.00 C ATOM 452 CD PRO A 32 40.184 0.718 17.992 1.00 1.00 C ATOM 0 HA PRO A 32 39.072 3.300 19.606 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.310 1.249 18.329 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.661 2.870 17.761 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.622 0.692 16.490 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.526 2.192 16.547 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.944 -0.327 18.188 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.149 0.734 17.486 1.00 1.00 H new ATOM 460 N ALA A 33 38.175 0.417 20.857 1.00 1.00 N ATOM 461 CA ALA A 33 37.488 -0.177 21.997 1.00 1.00 C ATOM 462 C ALA A 33 37.920 0.499 23.293 1.00 1.00 C ATOM 463 O ALA A 33 37.171 0.530 24.270 1.00 1.00 O ATOM 464 CB ALA A 33 37.798 -1.674 22.072 1.00 1.00 C ATOM 0 H ALA A 33 38.654 -0.251 20.253 1.00 1.00 H new ATOM 0 HA ALA A 33 36.415 -0.035 21.866 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.281 -2.110 22.927 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.462 -2.161 21.157 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.872 -1.818 22.186 1.00 1.00 H new ATOM 470 N ILE A 34 39.134 1.042 23.295 1.00 1.00 N ATOM 471 CA ILE A 34 39.656 1.718 24.477 1.00 1.00 C ATOM 472 C ILE A 34 39.221 3.179 24.492 1.00 1.00 C ATOM 473 O ILE A 34 38.821 3.709 25.529 1.00 1.00 O ATOM 474 CB ILE A 34 41.183 1.638 24.493 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.617 0.171 24.435 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.715 2.275 25.778 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.122 0.093 24.176 1.00 1.00 C ATOM 0 H ILE A 34 39.770 1.027 22.498 1.00 1.00 H new ATOM 0 HA ILE A 34 39.258 1.222 25.362 1.00 1.00 H new ATOM 0 HB ILE A 34 41.583 2.171 23.631 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.372 -0.329 25.372 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.074 -0.349 23.646 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.803 2.218 25.789 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.406 3.319 25.821 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.315 1.742 26.641 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.430 -0.952 24.135 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.354 0.577 23.227 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.656 0.598 24.981 1.00 1.00 H new ATOM 489 N TYR A 35 39.302 3.827 23.334 1.00 1.00 N ATOM 490 CA TYR A 35 38.913 5.228 23.223 1.00 1.00 C ATOM 491 C TYR A 35 37.494 5.431 23.744 1.00 1.00 C ATOM 492 O TYR A 35 37.232 6.355 24.515 1.00 1.00 O ATOM 493 CB TYR A 35 38.992 5.677 21.764 1.00 1.00 C ATOM 494 CG TYR A 35 39.798 6.950 21.669 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.245 8.163 22.098 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.098 6.918 21.151 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.992 9.344 22.008 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.845 8.100 21.060 1.00 1.00 C ATOM 499 CZ TYR A 35 41.293 9.312 21.489 1.00 1.00 C ATOM 500 OH TYR A 35 42.029 10.476 21.401 1.00 1.00 O ATOM 0 H TYR A 35 39.631 3.407 22.465 1.00 1.00 H new ATOM 0 HA TYR A 35 39.598 5.826 23.824 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.452 4.897 21.157 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.989 5.839 21.368 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.242 8.188 22.498 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.525 5.982 20.822 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.565 10.279 22.339 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.847 8.076 20.659 1.00 1.00 H new ATOM 0 HH TYR A 35 42.910 10.278 21.020 1.00 1.00 H new ATOM 510 N MET A 36 36.584 4.563 23.318 1.00 1.00 N ATOM 511 CA MET A 36 35.193 4.656 23.749 1.00 1.00 C ATOM 512 C MET A 36 35.070 4.314 25.229 1.00 1.00 C ATOM 513 O MET A 36 34.453 5.052 25.998 1.00 1.00 O ATOM 514 CB MET A 36 34.328 3.701 22.926 1.00 1.00 C ATOM 515 CG MET A 36 34.366 4.118 21.455 1.00 1.00 C ATOM 516 SD MET A 36 32.688 4.501 20.893 1.00 1.00 S ATOM 517 CE MET A 36 32.511 6.077 21.765 1.00 1.00 C ATOM 0 H MET A 36 36.781 3.792 22.680 1.00 1.00 H new ATOM 0 HA MET A 36 34.849 5.679 23.595 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.691 2.679 23.035 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.302 3.715 23.293 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.011 4.988 21.329 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.790 3.317 20.850 1.00 1.00 H new ATOM 0 HE1 MET A 36 31.566 6.543 21.487 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.526 5.901 22.841 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.334 6.738 21.493 1.00 1.00 H new ATOM 527 N LEU A 37 35.660 3.191 25.624 1.00 1.00 N ATOM 528 CA LEU A 37 35.610 2.761 27.016 1.00 1.00 C ATOM 529 C LEU A 37 36.004 3.911 27.938 1.00 1.00 C ATOM 530 O LEU A 37 35.607 3.948 29.103 1.00 1.00 O ATOM 531 CB LEU A 37 36.560 1.577 27.229 1.00 1.00 C ATOM 532 CG LEU A 37 36.417 1.031 28.656 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.005 0.479 28.872 1.00 1.00 C ATOM 534 CD2 LEU A 37 37.435 -0.091 28.871 1.00 1.00 C ATOM 0 H LEU A 37 36.175 2.566 25.004 1.00 1.00 H new ATOM 0 HA LEU A 37 34.592 2.453 27.252 1.00 1.00 H new ATOM 0 HB2 LEU A 37 36.340 0.790 26.507 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.589 1.891 27.054 1.00 1.00 H new ATOM 0 HG LEU A 37 36.596 1.839 29.366 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.916 0.095 29.888 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.276 1.275 28.720 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.816 -0.326 28.162 1.00 1.00 H new ATOM 0 HD21 LEU A 37 37.337 -0.482 29.884 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.252 -0.891 28.154 1.00 1.00 H new ATOM 0 HD23 LEU A 37 38.443 0.300 28.729 1.00 1.00 H new ATOM 546 N VAL A 38 36.784 4.846 27.408 1.00 1.00 N ATOM 547 CA VAL A 38 37.225 5.994 28.193 1.00 1.00 C ATOM 548 C VAL A 38 36.333 7.202 27.921 1.00 1.00 C ATOM 549 O VAL A 38 36.290 8.144 28.710 1.00 1.00 O ATOM 550 CB VAL A 38 38.673 6.339 27.846 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.112 7.568 28.642 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.577 5.154 28.198 1.00 1.00 C ATOM 0 H VAL A 38 37.122 4.833 26.446 1.00 1.00 H new ATOM 0 HA VAL A 38 37.157 5.736 29.250 1.00 1.00 H new ATOM 0 HB VAL A 38 38.749 6.552 26.780 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.145 7.813 28.393 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.469 8.412 28.392 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.036 7.357 29.709 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.610 5.399 27.951 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.499 4.941 29.264 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.266 4.278 27.630 1.00 1.00 H new ATOM 562 N PHE A 39 35.624 7.165 26.797 1.00 1.00 N ATOM 563 CA PHE A 39 34.736 8.263 26.430 1.00 1.00 C ATOM 564 C PHE A 39 33.422 8.167 27.198 1.00 1.00 C ATOM 565 O PHE A 39 33.113 9.021 28.030 1.00 1.00 O ATOM 566 CB PHE A 39 34.456 8.228 24.927 1.00 1.00 C ATOM 567 CG PHE A 39 33.996 9.591 24.468 1.00 1.00 C ATOM 568 CD1 PHE A 39 34.935 10.552 24.075 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.629 9.895 24.437 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.508 11.815 23.650 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.202 11.158 24.012 1.00 1.00 C ATOM 572 CZ PHE A 39 33.142 12.118 23.619 1.00 1.00 C ATOM 0 H PHE A 39 35.646 6.394 26.130 1.00 1.00 H new ATOM 0 HA PHE A 39 35.225 9.203 26.685 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.355 7.935 24.386 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.693 7.482 24.706 1.00 1.00 H new ATOM 0 HD1 PHE A 39 35.989 10.319 24.100 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.904 9.154 24.741 1.00 1.00 H new ATOM 0 HE1 PHE A 39 35.233 12.556 23.346 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.148 11.392 23.987 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.813 13.093 23.292 1.00 1.00 H new ATOM 582 N LEU A 40 32.652 7.122 26.914 1.00 1.00 N ATOM 583 CA LEU A 40 31.371 6.924 27.584 1.00 1.00 C ATOM 584 C LEU A 40 31.573 6.764 29.088 1.00 1.00 C ATOM 585 O LEU A 40 30.611 6.599 29.839 1.00 1.00 O ATOM 586 CB LEU A 40 30.670 5.683 27.025 1.00 1.00 C ATOM 587 CG LEU A 40 31.566 4.455 27.207 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.057 3.619 28.382 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.532 3.610 25.932 1.00 1.00 C ATOM 0 H LEU A 40 32.890 6.404 26.230 1.00 1.00 H new ATOM 0 HA LEU A 40 30.750 7.801 27.403 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.719 5.530 27.536 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.444 5.827 25.968 1.00 1.00 H new ATOM 0 HG LEU A 40 32.588 4.778 27.407 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.696 2.745 28.510 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.077 4.220 29.291 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.035 3.296 28.183 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.169 2.735 26.058 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.509 3.289 25.736 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.894 4.204 25.092 1.00 1.00 H new ATOM 601 N LEU A 41 32.828 6.813 29.521 1.00 1.00 N ATOM 602 CA LEU A 41 33.142 6.672 30.938 1.00 1.00 C ATOM 603 C LEU A 41 33.045 8.020 31.645 1.00 1.00 C ATOM 604 O LEU A 41 32.812 8.083 32.852 1.00 1.00 O ATOM 605 CB LEU A 41 34.554 6.106 31.106 1.00 1.00 C ATOM 606 CG LEU A 41 34.483 4.749 31.809 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.879 4.126 31.860 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.959 4.940 33.234 1.00 1.00 C ATOM 0 H LEU A 41 33.639 6.948 28.917 1.00 1.00 H new ATOM 0 HA LEU A 41 32.421 5.988 31.385 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.031 5.998 30.132 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.167 6.796 31.686 1.00 1.00 H new ATOM 0 HG LEU A 41 33.811 4.090 31.259 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.828 3.159 32.361 1.00 1.00 H new ATOM 0 HD12 LEU A 41 36.254 3.990 30.846 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.551 4.784 32.410 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.908 3.974 33.736 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.631 5.599 33.784 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.964 5.384 33.199 1.00 1.00 H new ATOM 620 N GLY A 42 33.224 9.095 30.885 1.00 1.00 N ATOM 621 CA GLY A 42 33.153 10.438 31.450 1.00 1.00 C ATOM 622 C GLY A 42 31.779 11.056 31.214 1.00 1.00 C ATOM 623 O GLY A 42 31.347 11.936 31.959 1.00 1.00 O ATOM 0 H GLY A 42 33.418 9.064 29.884 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.359 10.398 32.520 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.921 11.067 31.000 1.00 1.00 H new ATOM 627 N THR A 43 31.097 10.591 30.173 1.00 1.00 N ATOM 628 CA THR A 43 29.772 11.106 29.848 1.00 1.00 C ATOM 629 C THR A 43 28.853 9.974 29.399 1.00 1.00 C ATOM 630 O THR A 43 28.887 8.877 29.955 1.00 1.00 O ATOM 631 CB THR A 43 29.878 12.151 28.736 1.00 1.00 C ATOM 632 OG1 THR A 43 28.586 12.673 28.455 1.00 1.00 O ATOM 633 CG2 THR A 43 30.453 11.501 27.477 1.00 1.00 C ATOM 0 H THR A 43 31.437 9.864 29.544 1.00 1.00 H new ATOM 0 HA THR A 43 29.352 11.567 30.742 1.00 1.00 H new ATOM 0 HB THR A 43 30.535 12.959 29.057 1.00 1.00 H new ATOM 0 HG1 THR A 43 28.501 12.836 27.492 1.00 1.00 H new ATOM 0 HG21 THR A 43 30.528 12.246 26.685 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.443 11.101 27.694 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.798 10.692 27.153 1.00 1.00 H new ATOM 641 N THR A 44 28.034 10.250 28.390 1.00 1.00 N ATOM 642 CA THR A 44 27.108 9.249 27.871 1.00 1.00 C ATOM 643 C THR A 44 26.196 8.735 28.982 1.00 1.00 C ATOM 644 O THR A 44 25.048 9.160 29.101 1.00 1.00 O ATOM 645 CB THR A 44 27.886 8.079 27.263 1.00 1.00 C ATOM 646 OG1 THR A 44 28.772 8.571 26.267 1.00 1.00 O ATOM 647 CG2 THR A 44 26.910 7.085 26.635 1.00 1.00 C ATOM 0 H THR A 44 27.992 11.153 27.917 1.00 1.00 H new ATOM 0 HA THR A 44 26.495 9.715 27.100 1.00 1.00 H new ATOM 0 HB THR A 44 28.457 7.577 28.044 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.154 7.819 25.769 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.466 6.253 26.203 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.231 6.709 27.400 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.336 7.583 25.853 1.00 1.00 H new ATOM 655 N GLY A 45 26.717 7.820 29.792 1.00 1.00 N ATOM 656 CA GLY A 45 25.942 7.256 30.892 1.00 1.00 C ATOM 657 C GLY A 45 26.371 7.858 32.225 1.00 1.00 C ATOM 658 O GLY A 45 26.092 7.301 33.286 1.00 1.00 O ATOM 0 H GLY A 45 27.666 7.455 29.709 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.881 7.444 30.728 1.00 1.00 H new ATOM 0 HA3 GLY A 45 26.074 6.174 30.918 1.00 1.00 H new ATOM 662 N ASN A 46 27.051 8.999 32.161 1.00 1.00 N ATOM 663 CA ASN A 46 27.516 9.674 33.368 1.00 1.00 C ATOM 664 C ASN A 46 27.169 11.158 33.320 1.00 1.00 C ATOM 665 O ASN A 46 27.821 11.936 32.622 1.00 1.00 O ATOM 666 CB ASN A 46 29.031 9.508 33.509 1.00 1.00 C ATOM 667 CG ASN A 46 29.548 8.521 32.468 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.480 8.833 31.725 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.996 7.343 32.368 1.00 1.00 N ATOM 0 H ASN A 46 27.291 9.474 31.291 1.00 1.00 H new ATOM 0 HA ASN A 46 27.019 9.223 34.227 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.524 10.472 33.384 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.274 9.153 34.511 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.336 6.678 31.673 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.225 7.087 32.984 1.00 1.00 H new ATOM 676 N GLY A 47 26.138 11.545 34.065 1.00 1.00 N ATOM 677 CA GLY A 47 25.713 12.939 34.099 1.00 1.00 C ATOM 678 C GLY A 47 24.193 13.044 34.150 1.00 1.00 C ATOM 679 O GLY A 47 23.646 14.071 34.552 1.00 1.00 O ATOM 0 H GLY A 47 25.585 10.918 34.649 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.145 13.434 34.969 1.00 1.00 H new ATOM 0 HA3 GLY A 47 26.088 13.459 33.218 1.00 1.00 H new ATOM 683 N LEU A 48 23.516 11.975 33.741 1.00 1.00 N ATOM 684 CA LEU A 48 22.059 11.959 33.745 1.00 1.00 C ATOM 685 C LEU A 48 21.539 10.608 34.223 1.00 1.00 C ATOM 686 O LEU A 48 20.378 10.480 34.614 1.00 1.00 O ATOM 687 CB LEU A 48 21.528 12.243 32.337 1.00 1.00 C ATOM 688 CG LEU A 48 20.079 12.722 32.424 1.00 1.00 C ATOM 689 CD1 LEU A 48 20.051 14.245 32.575 1.00 1.00 C ATOM 690 CD2 LEU A 48 19.335 12.324 31.147 1.00 1.00 C ATOM 0 H LEU A 48 23.950 11.115 33.405 1.00 1.00 H new ATOM 0 HA LEU A 48 21.709 12.733 34.428 1.00 1.00 H new ATOM 0 HB2 LEU A 48 22.144 13.000 31.851 1.00 1.00 H new ATOM 0 HB3 LEU A 48 21.588 11.342 31.726 1.00 1.00 H new ATOM 0 HG LEU A 48 19.596 12.263 33.287 1.00 1.00 H new ATOM 0 HD11 LEU A 48 19.017 14.586 32.637 1.00 1.00 H new ATOM 0 HD12 LEU A 48 20.582 14.530 33.483 1.00 1.00 H new ATOM 0 HD13 LEU A 48 20.534 14.705 31.713 1.00 1.00 H new ATOM 0 HD21 LEU A 48 18.301 12.665 31.207 1.00 1.00 H new ATOM 0 HD22 LEU A 48 19.819 12.784 30.285 1.00 1.00 H new ATOM 0 HD23 LEU A 48 19.354 11.240 31.038 1.00 1.00 H new ATOM 702 N VAL A 49 22.405 9.600 34.187 1.00 1.00 N ATOM 703 CA VAL A 49 22.021 8.260 34.619 1.00 1.00 C ATOM 704 C VAL A 49 21.782 8.231 36.125 1.00 1.00 C ATOM 705 O VAL A 49 21.085 7.353 36.635 1.00 1.00 O ATOM 706 CB VAL A 49 23.120 7.260 34.255 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.927 5.974 35.060 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.042 6.941 32.760 1.00 1.00 C ATOM 0 H VAL A 49 23.370 9.684 33.866 1.00 1.00 H new ATOM 0 HA VAL A 49 21.097 7.985 34.111 1.00 1.00 H new ATOM 0 HB VAL A 49 24.094 7.690 34.486 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.710 5.261 34.801 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.980 6.200 36.125 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.953 5.543 34.829 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.824 6.229 32.499 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.067 6.510 32.530 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.178 7.857 32.185 1.00 1.00 H new ATOM 718 N LEU A 50 22.362 9.195 36.831 1.00 1.00 N ATOM 719 CA LEU A 50 22.203 9.268 38.279 1.00 1.00 C ATOM 720 C LEU A 50 21.103 10.258 38.648 1.00 1.00 C ATOM 721 O LEU A 50 20.865 10.527 39.826 1.00 1.00 O ATOM 722 CB LEU A 50 23.520 9.695 38.935 1.00 1.00 C ATOM 723 CG LEU A 50 24.259 10.681 38.027 1.00 1.00 C ATOM 724 CD1 LEU A 50 23.353 11.875 37.717 1.00 1.00 C ATOM 725 CD2 LEU A 50 25.523 11.173 38.736 1.00 1.00 C ATOM 0 H LEU A 50 22.942 9.931 36.429 1.00 1.00 H new ATOM 0 HA LEU A 50 21.924 8.279 38.643 1.00 1.00 H new ATOM 0 HB2 LEU A 50 23.322 10.157 39.902 1.00 1.00 H new ATOM 0 HB3 LEU A 50 24.144 8.821 39.121 1.00 1.00 H new ATOM 0 HG LEU A 50 24.530 10.183 37.096 1.00 1.00 H new ATOM 0 HD11 LEU A 50 23.882 12.575 37.070 1.00 1.00 H new ATOM 0 HD12 LEU A 50 22.451 11.526 37.213 1.00 1.00 H new ATOM 0 HD13 LEU A 50 23.079 12.375 38.646 1.00 1.00 H new ATOM 0 HD21 LEU A 50 26.052 11.876 38.092 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.248 11.670 39.666 1.00 1.00 H new ATOM 0 HD23 LEU A 50 26.171 10.324 38.956 1.00 1.00 H new ATOM 737 N TRP A 51 20.434 10.797 37.634 1.00 1.00 N ATOM 738 CA TRP A 51 19.358 11.755 37.864 1.00 1.00 C ATOM 739 C TRP A 51 18.019 11.034 37.984 1.00 1.00 C ATOM 740 O TRP A 51 17.071 11.559 38.569 1.00 1.00 O ATOM 741 CB TRP A 51 19.298 12.760 36.713 1.00 1.00 C ATOM 742 CG TRP A 51 17.882 12.911 36.257 1.00 1.00 C ATOM 743 CD1 TRP A 51 17.245 12.070 35.412 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.920 13.948 36.606 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.953 12.524 35.218 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.704 13.679 35.933 1.00 1.00 C ATOM 747 CE3 TRP A 51 16.983 15.085 37.431 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.591 14.509 36.074 1.00 1.00 C ATOM 749 CZ3 TRP A 51 15.864 15.923 37.575 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.671 15.634 36.898 1.00 1.00 C ATOM 0 H TRP A 51 20.616 10.589 36.652 1.00 1.00 H new ATOM 0 HA TRP A 51 19.559 12.284 38.796 1.00 1.00 H new ATOM 0 HB2 TRP A 51 19.692 13.724 37.036 1.00 1.00 H new ATOM 0 HB3 TRP A 51 19.923 12.421 35.887 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.675 11.187 34.962 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.268 12.062 34.620 1.00 1.00 H new ATOM 0 HE3 TRP A 51 17.897 15.316 37.957 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 13.674 14.283 35.550 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 15.924 16.794 38.211 1.00 1.00 H new ATOM 0 HH2 TRP A 51 13.814 16.281 37.014 1.00 1.00 H new ATOM 761 N THR A 52 17.950 9.830 37.427 1.00 1.00 N ATOM 762 CA THR A 52 16.724 9.044 37.478 1.00 1.00 C ATOM 763 C THR A 52 16.759 8.074 38.654 1.00 1.00 C ATOM 764 O THR A 52 15.718 7.696 39.192 1.00 1.00 O ATOM 765 CB THR A 52 16.550 8.263 36.174 1.00 1.00 C ATOM 766 OG1 THR A 52 16.020 9.124 35.176 1.00 1.00 O ATOM 767 CG2 THR A 52 15.593 7.092 36.401 1.00 1.00 C ATOM 0 H THR A 52 18.724 9.380 36.938 1.00 1.00 H new ATOM 0 HA THR A 52 15.883 9.725 37.608 1.00 1.00 H new ATOM 0 HB THR A 52 17.517 7.880 35.848 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.349 10.036 35.322 1.00 1.00 H new ATOM 0 HG21 THR A 52 15.470 6.537 35.471 1.00 1.00 H new ATOM 0 HG22 THR A 52 16.001 6.432 37.167 1.00 1.00 H new ATOM 0 HG23 THR A 52 14.625 7.471 36.727 1.00 1.00 H new ATOM 775 N VAL A 53 17.963 7.673 39.049 1.00 1.00 N ATOM 776 CA VAL A 53 18.124 6.745 40.161 1.00 1.00 C ATOM 777 C VAL A 53 17.950 7.470 41.493 1.00 1.00 C ATOM 778 O VAL A 53 17.708 6.843 42.524 1.00 1.00 O ATOM 779 CB VAL A 53 19.510 6.102 40.108 1.00 1.00 C ATOM 780 CG1 VAL A 53 19.642 5.076 41.235 1.00 1.00 C ATOM 781 CG2 VAL A 53 19.696 5.403 38.759 1.00 1.00 C ATOM 0 H VAL A 53 18.837 7.975 38.618 1.00 1.00 H new ATOM 0 HA VAL A 53 17.361 5.971 40.077 1.00 1.00 H new ATOM 0 HB VAL A 53 20.272 6.872 40.228 1.00 1.00 H new ATOM 0 HG11 VAL A 53 20.630 4.618 41.196 1.00 1.00 H new ATOM 0 HG12 VAL A 53 19.509 5.572 42.196 1.00 1.00 H new ATOM 0 HG13 VAL A 53 18.880 4.305 41.116 1.00 1.00 H new ATOM 0 HG21 VAL A 53 20.684 4.944 38.720 1.00 1.00 H new ATOM 0 HG22 VAL A 53 18.933 4.633 38.640 1.00 1.00 H new ATOM 0 HG23 VAL A 53 19.603 6.133 37.955 1.00 1.00 H new ATOM 791 N PHE A 54 18.078 8.791 41.462 1.00 1.00 N ATOM 792 CA PHE A 54 17.936 9.591 42.673 1.00 1.00 C ATOM 793 C PHE A 54 16.560 10.248 42.724 1.00 1.00 C ATOM 794 O PHE A 54 16.148 10.766 43.762 1.00 1.00 O ATOM 795 CB PHE A 54 19.021 10.669 42.713 1.00 1.00 C ATOM 796 CG PHE A 54 18.512 11.870 43.474 1.00 1.00 C ATOM 797 CD1 PHE A 54 18.398 11.820 44.868 1.00 1.00 C ATOM 798 CD2 PHE A 54 18.152 13.034 42.784 1.00 1.00 C ATOM 799 CE1 PHE A 54 17.926 12.933 45.573 1.00 1.00 C ATOM 800 CE2 PHE A 54 17.679 14.148 43.488 1.00 1.00 C ATOM 801 CZ PHE A 54 17.566 14.097 44.883 1.00 1.00 C ATOM 0 H PHE A 54 18.278 9.328 40.618 1.00 1.00 H new ATOM 0 HA PHE A 54 18.043 8.934 43.536 1.00 1.00 H new ATOM 0 HB2 PHE A 54 19.920 10.278 43.190 1.00 1.00 H new ATOM 0 HB3 PHE A 54 19.298 10.958 41.699 1.00 1.00 H new ATOM 0 HD1 PHE A 54 18.675 10.922 45.400 1.00 1.00 H new ATOM 0 HD2 PHE A 54 18.239 13.073 41.708 1.00 1.00 H new ATOM 0 HE1 PHE A 54 17.839 12.894 46.649 1.00 1.00 H new ATOM 0 HE2 PHE A 54 17.402 15.046 42.956 1.00 1.00 H new ATOM 0 HZ PHE A 54 17.201 14.956 45.427 1.00 1.00 H new ATOM 811 N ARG A 55 15.854 10.223 41.599 1.00 1.00 N ATOM 812 CA ARG A 55 14.525 10.820 41.530 1.00 1.00 C ATOM 813 C ARG A 55 13.467 9.831 42.008 1.00 1.00 C ATOM 814 O ARG A 55 12.543 10.199 42.733 1.00 1.00 O ATOM 815 CB ARG A 55 14.218 11.243 40.092 1.00 1.00 C ATOM 816 CG ARG A 55 14.176 12.771 40.006 1.00 1.00 C ATOM 817 CD ARG A 55 15.536 13.343 40.407 1.00 1.00 C ATOM 818 NE ARG A 55 15.419 14.101 41.647 1.00 1.00 N ATOM 819 CZ ARG A 55 14.935 15.339 41.652 1.00 1.00 C ATOM 820 NH1 ARG A 55 14.554 15.896 40.534 1.00 1.00 N ATOM 821 NH2 ARG A 55 14.841 15.998 42.775 1.00 1.00 N ATOM 0 H ARG A 55 16.176 9.799 40.729 1.00 1.00 H new ATOM 0 HA ARG A 55 14.506 11.696 42.179 1.00 1.00 H new ATOM 0 HB2 ARG A 55 14.978 10.851 39.416 1.00 1.00 H new ATOM 0 HB3 ARG A 55 13.263 10.824 39.775 1.00 1.00 H new ATOM 0 HG2 ARG A 55 13.924 13.082 38.992 1.00 1.00 H new ATOM 0 HG3 ARG A 55 13.398 13.161 40.662 1.00 1.00 H new ATOM 0 HD2 ARG A 55 16.256 12.534 40.533 1.00 1.00 H new ATOM 0 HD3 ARG A 55 15.916 13.987 39.614 1.00 1.00 H new ATOM 0 HE ARG A 55 15.713 13.674 42.525 1.00 1.00 H new ATOM 0 HH11 ARG A 55 14.628 15.381 39.657 1.00 1.00 H new ATOM 0 HH12 ARG A 55 14.183 16.846 40.538 1.00 1.00 H new ATOM 0 HH21 ARG A 55 15.139 15.563 43.648 1.00 1.00 H new ATOM 0 HH22 ARG A 55 14.470 16.948 42.779 1.00 1.00 H new ATOM 835 N LYS A 56 13.609 8.574 41.598 1.00 1.00 N ATOM 836 CA LYS A 56 12.657 7.541 41.991 1.00 1.00 C ATOM 837 C LYS A 56 12.887 7.124 43.442 1.00 1.00 C ATOM 838 O LYS A 56 11.936 6.887 44.186 1.00 1.00 O ATOM 839 CB LYS A 56 12.796 6.323 41.075 1.00 1.00 C ATOM 840 CG LYS A 56 14.229 5.789 41.141 1.00 1.00 C ATOM 841 CD LYS A 56 14.494 4.889 39.932 1.00 1.00 C ATOM 842 CE LYS A 56 15.472 3.780 40.324 1.00 1.00 C ATOM 843 NZ LYS A 56 16.174 3.283 39.108 1.00 1.00 N ATOM 0 H LYS A 56 14.367 8.248 40.999 1.00 1.00 H new ATOM 0 HA LYS A 56 11.650 7.947 41.898 1.00 1.00 H new ATOM 0 HB2 LYS A 56 12.094 5.546 41.378 1.00 1.00 H new ATOM 0 HB3 LYS A 56 12.546 6.596 40.050 1.00 1.00 H new ATOM 0 HG2 LYS A 56 14.937 6.618 41.153 1.00 1.00 H new ATOM 0 HG3 LYS A 56 14.378 5.229 42.064 1.00 1.00 H new ATOM 0 HD2 LYS A 56 13.559 4.455 39.577 1.00 1.00 H new ATOM 0 HD3 LYS A 56 14.905 5.477 39.111 1.00 1.00 H new ATOM 0 HE2 LYS A 56 16.196 4.158 41.046 1.00 1.00 H new ATOM 0 HE3 LYS A 56 14.937 2.963 40.807 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 16.839 2.529 39.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 15.477 2.907 38.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 16.697 4.065 38.665 1.00 1.00 H new ATOM 857 N LYS A 57 14.153 7.040 43.837 1.00 1.00 N ATOM 858 CA LYS A 57 14.492 6.654 45.203 1.00 1.00 C ATOM 859 C LYS A 57 14.508 7.883 46.111 1.00 1.00 C ATOM 860 O LYS A 57 15.380 8.028 46.969 1.00 1.00 O ATOM 861 CB LYS A 57 15.861 5.966 45.225 1.00 1.00 C ATOM 862 CG LYS A 57 15.699 4.497 44.824 1.00 1.00 C ATOM 863 CD LYS A 57 16.949 4.023 44.076 1.00 1.00 C ATOM 864 CE LYS A 57 18.169 4.135 44.994 1.00 1.00 C ATOM 865 NZ LYS A 57 17.909 3.387 46.257 1.00 1.00 N ATOM 0 H LYS A 57 14.955 7.232 43.237 1.00 1.00 H new ATOM 0 HA LYS A 57 13.738 5.958 45.571 1.00 1.00 H new ATOM 0 HB2 LYS A 57 16.544 6.468 44.540 1.00 1.00 H new ATOM 0 HB3 LYS A 57 16.300 6.036 46.220 1.00 1.00 H new ATOM 0 HG2 LYS A 57 15.540 3.884 45.711 1.00 1.00 H new ATOM 0 HG3 LYS A 57 14.819 4.378 44.192 1.00 1.00 H new ATOM 0 HD2 LYS A 57 16.820 2.991 43.749 1.00 1.00 H new ATOM 0 HD3 LYS A 57 17.099 4.625 43.180 1.00 1.00 H new ATOM 0 HE2 LYS A 57 19.051 3.733 44.495 1.00 1.00 H new ATOM 0 HE3 LYS A 57 18.377 5.182 45.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 18.802 2.995 46.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 17.502 4.032 46.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 17.241 2.612 46.070 1.00 1.00 H new ATOM 879 N GLY A 58 13.535 8.765 45.915 1.00 1.00 N ATOM 880 CA GLY A 58 13.443 9.978 46.720 1.00 1.00 C ATOM 881 C GLY A 58 12.640 9.729 47.991 1.00 1.00 C ATOM 882 O GLY A 58 11.915 10.606 48.462 1.00 1.00 O ATOM 0 H GLY A 58 12.803 8.665 45.211 1.00 1.00 H new ATOM 0 HA2 GLY A 58 14.444 10.324 46.979 1.00 1.00 H new ATOM 0 HA3 GLY A 58 12.973 10.771 46.138 1.00 1.00 H new ATOM 886 N HIS A 59 12.773 8.527 48.543 1.00 1.00 N ATOM 887 CA HIS A 59 12.053 8.173 49.762 1.00 1.00 C ATOM 888 C HIS A 59 12.964 8.303 50.978 1.00 1.00 C ATOM 889 O HIS A 59 12.513 8.657 52.068 1.00 1.00 O ATOM 890 CB HIS A 59 11.533 6.738 49.663 1.00 1.00 C ATOM 891 CG HIS A 59 10.034 6.755 49.542 1.00 1.00 C ATOM 892 ND1 HIS A 59 9.202 6.518 50.626 1.00 1.00 N ATOM 893 CD2 HIS A 59 9.202 6.980 48.473 1.00 1.00 C ATOM 894 CE1 HIS A 59 7.933 6.605 50.189 1.00 1.00 C ATOM 895 NE2 HIS A 59 7.875 6.884 48.884 1.00 1.00 N ATOM 0 H HIS A 59 13.367 7.787 48.170 1.00 1.00 H new ATOM 0 HA HIS A 59 11.212 8.857 49.877 1.00 1.00 H new ATOM 0 HB2 HIS A 59 11.973 6.239 48.799 1.00 1.00 H new ATOM 0 HB3 HIS A 59 11.831 6.170 50.544 1.00 1.00 H new ATOM 0 HD2 HIS A 59 9.527 7.198 47.467 1.00 1.00 H new ATOM 0 HE1 HIS A 59 7.066 6.466 50.817 1.00 1.00 H new ATOM 0 HE2 HIS A 59 7.039 7.001 48.312 1.00 1.00 H new ATOM 903 N HIS A 60 14.247 8.014 50.785 1.00 1.00 N ATOM 904 CA HIS A 60 15.213 8.102 51.875 1.00 1.00 C ATOM 905 C HIS A 60 15.101 9.449 52.581 1.00 1.00 C ATOM 906 O HIS A 60 15.790 10.406 52.226 1.00 1.00 O ATOM 907 CB HIS A 60 16.631 7.924 51.331 1.00 1.00 C ATOM 908 CG HIS A 60 17.560 7.569 52.459 1.00 1.00 C ATOM 909 ND1 HIS A 60 17.431 6.392 53.179 1.00 1.00 N ATOM 910 CD2 HIS A 60 18.637 8.224 53.002 1.00 1.00 C ATOM 911 CE1 HIS A 60 18.405 6.376 54.107 1.00 1.00 C ATOM 912 NE2 HIS A 60 19.169 7.469 54.043 1.00 1.00 N ATOM 0 H HIS A 60 14.640 7.719 49.891 1.00 1.00 H new ATOM 0 HA HIS A 60 14.998 7.310 52.592 1.00 1.00 H new ATOM 0 HB2 HIS A 60 16.646 7.140 50.573 1.00 1.00 H new ATOM 0 HB3 HIS A 60 16.964 8.842 50.847 1.00 1.00 H new ATOM 0 HD2 HIS A 60 19.014 9.180 52.671 1.00 1.00 H new ATOM 0 HE1 HIS A 60 18.551 5.576 54.818 1.00 1.00 H new ATOM 0 HE2 HIS A 60 19.970 7.701 54.630 1.00 1.00 H new ATOM 920 N HIS A 61 14.231 9.517 53.582 1.00 1.00 N ATOM 921 CA HIS A 61 14.037 10.754 54.332 1.00 1.00 C ATOM 922 C HIS A 61 13.719 10.450 55.792 1.00 1.00 C ATOM 923 O HIS A 61 12.747 9.759 56.096 1.00 1.00 O ATOM 924 CB HIS A 61 12.895 11.565 53.717 1.00 1.00 C ATOM 925 CG HIS A 61 13.403 12.316 52.517 1.00 1.00 C ATOM 926 ND1 HIS A 61 14.008 13.559 52.624 1.00 1.00 N ATOM 927 CD2 HIS A 61 13.404 12.013 51.177 1.00 1.00 C ATOM 928 CE1 HIS A 61 14.344 13.955 51.383 1.00 1.00 C ATOM 929 NE2 HIS A 61 13.998 13.050 50.463 1.00 1.00 N ATOM 0 H HIS A 61 13.652 8.737 53.892 1.00 1.00 H new ATOM 0 HA HIS A 61 14.959 11.333 54.285 1.00 1.00 H new ATOM 0 HB2 HIS A 61 12.080 10.903 53.426 1.00 1.00 H new ATOM 0 HB3 HIS A 61 12.493 12.262 54.452 1.00 1.00 H new ATOM 0 HD2 HIS A 61 13.005 11.108 50.743 1.00 1.00 H new ATOM 0 HE1 HIS A 61 14.834 14.891 51.158 1.00 1.00 H new ATOM 0 HE2 HIS A 61 14.139 13.107 49.454 1.00 1.00 H new ATOM 937 N HIS A 62 14.545 10.972 56.693 1.00 1.00 N ATOM 938 CA HIS A 62 14.343 10.751 58.120 1.00 1.00 C ATOM 939 C HIS A 62 12.885 10.992 58.498 1.00 1.00 C ATOM 940 O HIS A 62 12.303 12.017 58.142 1.00 1.00 O ATOM 941 CB HIS A 62 15.243 11.688 58.928 1.00 1.00 C ATOM 942 CG HIS A 62 16.497 10.959 59.324 1.00 1.00 C ATOM 943 ND1 HIS A 62 16.755 10.589 60.635 1.00 1.00 N ATOM 944 CD2 HIS A 62 17.577 10.525 58.594 1.00 1.00 C ATOM 945 CE1 HIS A 62 17.945 9.963 60.654 1.00 1.00 C ATOM 946 NE2 HIS A 62 18.489 9.896 59.436 1.00 1.00 N ATOM 0 H HIS A 62 15.355 11.547 56.462 1.00 1.00 H new ATOM 0 HA HIS A 62 14.600 9.716 58.348 1.00 1.00 H new ATOM 0 HB2 HIS A 62 15.493 12.569 58.337 1.00 1.00 H new ATOM 0 HB3 HIS A 62 14.717 12.039 59.816 1.00 1.00 H new ATOM 0 HD2 HIS A 62 17.700 10.653 57.529 1.00 1.00 H new ATOM 0 HE1 HIS A 62 18.405 9.563 61.546 1.00 1.00 H new ATOM 0 HE2 HIS A 62 19.381 9.474 59.178 1.00 1.00 H new ATOM 954 N HIS A 63 12.301 10.042 59.220 1.00 1.00 N ATOM 955 CA HIS A 63 10.909 10.162 59.641 1.00 1.00 C ATOM 956 C HIS A 63 10.702 11.440 60.448 1.00 1.00 C ATOM 957 O HIS A 63 11.434 11.710 61.399 1.00 1.00 O ATOM 958 CB HIS A 63 10.513 8.952 60.488 1.00 1.00 C ATOM 959 CG HIS A 63 11.608 8.650 61.474 1.00 1.00 C ATOM 960 ND1 HIS A 63 11.497 8.963 62.820 1.00 1.00 N ATOM 961 CD2 HIS A 63 12.841 8.064 61.326 1.00 1.00 C ATOM 962 CE1 HIS A 63 12.633 8.568 63.424 1.00 1.00 C ATOM 963 NE2 HIS A 63 13.485 8.014 62.559 1.00 1.00 N ATOM 0 H HIS A 63 12.765 9.186 59.524 1.00 1.00 H new ATOM 0 HA HIS A 63 10.282 10.202 58.750 1.00 1.00 H new ATOM 0 HB2 HIS A 63 9.580 9.153 61.015 1.00 1.00 H new ATOM 0 HB3 HIS A 63 10.338 8.088 59.847 1.00 1.00 H new ATOM 0 HD2 HIS A 63 13.249 7.698 60.395 1.00 1.00 H new ATOM 0 HE1 HIS A 63 12.831 8.685 64.479 1.00 1.00 H new ATOM 0 HE2 HIS A 63 14.411 7.635 62.759 1.00 1.00 H new ATOM 971 N HIS A 64 9.700 12.222 60.061 1.00 1.00 N ATOM 972 CA HIS A 64 9.405 13.470 60.756 1.00 1.00 C ATOM 973 C HIS A 64 9.138 13.209 62.234 1.00 1.00 C ATOM 974 O HIS A 64 8.040 12.783 62.552 1.00 1.00 O ATOM 975 CB HIS A 64 8.184 14.144 60.126 1.00 1.00 C ATOM 976 CG HIS A 64 7.626 15.162 61.080 1.00 1.00 C ATOM 977 ND1 HIS A 64 6.469 14.935 61.810 1.00 1.00 N ATOM 978 CD2 HIS A 64 8.052 16.419 61.436 1.00 1.00 C ATOM 979 CE1 HIS A 64 6.241 16.029 62.560 1.00 1.00 C ATOM 980 NE2 HIS A 64 7.177 16.963 62.371 1.00 1.00 N ATOM 981 OXT HIS A 64 10.035 13.440 63.029 1.00 1.00 O ATOM 0 H HIS A 64 9.082 12.016 59.276 1.00 1.00 H new ATOM 0 HA HIS A 64 10.269 14.128 60.665 1.00 1.00 H new ATOM 0 HB2 HIS A 64 8.464 14.624 59.188 1.00 1.00 H new ATOM 0 HB3 HIS A 64 7.425 13.398 59.889 1.00 1.00 H new ATOM 0 HD2 HIS A 64 8.932 16.910 61.049 1.00 1.00 H new ATOM 0 HE1 HIS A 64 5.403 16.138 63.233 1.00 1.00 H new ATOM 0 HE2 HIS A 64 7.237 17.879 62.817 1.00 1.00 H new TER 989 HIS A 64