USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 288 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 14 HIS : no HD1:sc= -3.4! C(o=-3.5!,f=-3.5!) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.137 K(o=-3.5,f=-4.2) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.0183 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.012 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.53) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00921 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.291 -8.220 -1.261 1.00 0.00 N ATOM 2 CA SER A 1 -13.465 -8.990 -1.774 1.00 0.00 C ATOM 3 C SER A 1 -14.028 -9.893 -0.671 1.00 0.00 C ATOM 4 O SER A 1 -13.292 -10.574 0.019 1.00 0.00 O ATOM 5 CB SER A 1 -12.922 -9.833 -2.931 1.00 0.00 C ATOM 6 OG SER A 1 -12.475 -8.970 -3.969 1.00 0.00 O ATOM 0 H1 SER A 1 -11.608 -8.074 -2.032 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.611 -7.298 -0.902 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.836 -8.752 -0.492 1.00 0.00 H new ATOM 0 HA SER A 1 -14.275 -8.335 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.101 -10.461 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.698 -10.501 -3.306 1.00 0.00 H new ATOM 0 HG SER A 1 -12.125 -9.505 -4.711 1.00 0.00 H new ATOM 11 N ASP A 2 -15.327 -9.899 -0.499 1.00 0.00 N ATOM 12 CA ASP A 2 -15.947 -10.753 0.560 1.00 0.00 C ATOM 13 C ASP A 2 -17.406 -11.075 0.202 1.00 0.00 C ATOM 14 O ASP A 2 -17.867 -10.774 -0.885 1.00 0.00 O ATOM 15 CB ASP A 2 -15.879 -9.908 1.836 1.00 0.00 C ATOM 16 CG ASP A 2 -15.279 -10.743 2.970 1.00 0.00 C ATOM 17 OD1 ASP A 2 -14.063 -10.830 3.036 1.00 0.00 O ATOM 18 OD2 ASP A 2 -16.047 -11.281 3.752 1.00 0.00 O ATOM 0 H ASP A 2 -15.986 -9.347 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.434 -11.708 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.272 -9.019 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.876 -9.565 2.111 1.00 0.00 H new ATOM 23 N LEU A 3 -18.131 -11.684 1.108 1.00 0.00 N ATOM 24 CA LEU A 3 -19.562 -12.029 0.825 1.00 0.00 C ATOM 25 C LEU A 3 -20.454 -10.775 0.911 1.00 0.00 C ATOM 26 O LEU A 3 -21.194 -10.495 -0.011 1.00 0.00 O ATOM 27 CB LEU A 3 -19.961 -13.057 1.892 1.00 0.00 C ATOM 28 CG LEU A 3 -20.484 -14.328 1.212 1.00 0.00 C ATOM 29 CD1 LEU A 3 -20.571 -15.460 2.239 1.00 0.00 C ATOM 30 CD2 LEU A 3 -21.875 -14.064 0.630 1.00 0.00 C ATOM 0 H LEU A 3 -17.795 -11.958 2.031 1.00 0.00 H new ATOM 0 HA LEU A 3 -19.686 -12.429 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -19.103 -13.296 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -20.728 -12.640 2.545 1.00 0.00 H new ATOM 0 HG LEU A 3 -19.802 -14.614 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -20.943 -16.363 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -19.581 -15.652 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -21.251 -15.172 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -22.245 -14.968 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -22.556 -13.776 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -21.816 -13.260 -0.103 1.00 0.00 H new ATOM 42 N PRO A 4 -20.359 -10.056 2.013 1.00 0.00 N ATOM 43 CA PRO A 4 -21.168 -8.835 2.195 1.00 0.00 C ATOM 44 C PRO A 4 -20.411 -7.612 1.654 1.00 0.00 C ATOM 45 O PRO A 4 -19.429 -7.741 0.945 1.00 0.00 O ATOM 46 CB PRO A 4 -21.336 -8.757 3.712 1.00 0.00 C ATOM 47 CG PRO A 4 -20.170 -9.507 4.293 1.00 0.00 C ATOM 48 CD PRO A 4 -19.509 -10.293 3.182 1.00 0.00 C ATOM 0 HA PRO A 4 -22.121 -8.855 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.343 -7.721 4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -22.281 -9.201 4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -19.459 -8.814 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.506 -10.177 5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.489 -9.952 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.454 -11.354 3.425 1.00 0.00 H new ATOM 56 N ALA A 5 -20.861 -6.429 1.986 1.00 0.00 N ATOM 57 CA ALA A 5 -20.173 -5.193 1.496 1.00 0.00 C ATOM 58 C ALA A 5 -20.558 -3.979 2.356 1.00 0.00 C ATOM 59 O ALA A 5 -20.860 -2.916 1.846 1.00 0.00 O ATOM 60 CB ALA A 5 -20.665 -5.012 0.059 1.00 0.00 C ATOM 0 H ALA A 5 -21.676 -6.264 2.576 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.088 -5.280 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -20.205 -4.123 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.392 -5.886 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -21.749 -4.897 0.057 1.00 0.00 H new ATOM 66 N LEU A 6 -20.542 -4.129 3.657 1.00 0.00 N ATOM 67 CA LEU A 6 -20.900 -2.982 4.554 1.00 0.00 C ATOM 68 C LEU A 6 -19.716 -2.014 4.661 1.00 0.00 C ATOM 69 O LEU A 6 -19.843 -0.834 4.395 1.00 0.00 O ATOM 70 CB LEU A 6 -21.210 -3.610 5.917 1.00 0.00 C ATOM 71 CG LEU A 6 -22.676 -4.055 5.961 1.00 0.00 C ATOM 72 CD1 LEU A 6 -22.748 -5.583 5.981 1.00 0.00 C ATOM 73 CD2 LEU A 6 -23.341 -3.499 7.224 1.00 0.00 C ATOM 0 H LEU A 6 -20.297 -4.994 4.138 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.748 -2.412 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.556 -4.464 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.015 -2.891 6.712 1.00 0.00 H new ATOM 0 HG LEU A 6 -23.194 -3.678 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -23.791 -5.898 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -22.276 -5.981 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.229 -5.960 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -24.384 -3.815 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -22.821 -3.875 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.292 -2.410 7.212 1.00 0.00 H new ATOM 85 N SER A 7 -18.564 -2.512 5.037 1.00 0.00 N ATOM 86 CA SER A 7 -17.360 -1.636 5.152 1.00 0.00 C ATOM 87 C SER A 7 -16.236 -2.193 4.268 1.00 0.00 C ATOM 88 O SER A 7 -15.140 -2.460 4.727 1.00 0.00 O ATOM 89 CB SER A 7 -16.970 -1.684 6.633 1.00 0.00 C ATOM 90 OG SER A 7 -17.620 -0.626 7.325 1.00 0.00 O ATOM 0 H SER A 7 -18.406 -3.492 5.270 1.00 0.00 H new ATOM 0 HA SER A 7 -17.548 -0.613 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.253 -2.644 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.889 -1.593 6.739 1.00 0.00 H new ATOM 0 HG SER A 7 -17.374 -0.655 8.273 1.00 0.00 H new ATOM 96 N THR A 8 -16.511 -2.381 3.001 1.00 0.00 N ATOM 97 CA THR A 8 -15.474 -2.934 2.073 1.00 0.00 C ATOM 98 C THR A 8 -15.298 -2.027 0.844 1.00 0.00 C ATOM 99 O THR A 8 -14.720 -2.428 -0.149 1.00 0.00 O ATOM 100 CB THR A 8 -16.015 -4.311 1.653 1.00 0.00 C ATOM 101 OG1 THR A 8 -16.664 -4.934 2.755 1.00 0.00 O ATOM 102 CG2 THR A 8 -14.862 -5.198 1.179 1.00 0.00 C ATOM 0 H THR A 8 -17.411 -2.175 2.567 1.00 0.00 H new ATOM 0 HA THR A 8 -14.496 -3.001 2.549 1.00 0.00 H new ATOM 0 HB THR A 8 -16.729 -4.176 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.008 -5.810 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.251 -6.172 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.369 -4.730 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.144 -5.325 1.989 1.00 0.00 H new ATOM 110 N GLY A 9 -15.780 -0.809 0.903 1.00 0.00 N ATOM 111 CA GLY A 9 -15.631 0.118 -0.256 1.00 0.00 C ATOM 112 C GLY A 9 -14.555 1.152 0.069 1.00 0.00 C ATOM 113 O GLY A 9 -13.417 1.021 -0.337 1.00 0.00 O ATOM 0 H GLY A 9 -16.271 -0.419 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.358 -0.440 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.579 0.614 -0.466 1.00 0.00 H new ATOM 117 N LEU A 10 -14.908 2.173 0.812 1.00 0.00 N ATOM 118 CA LEU A 10 -13.906 3.220 1.185 1.00 0.00 C ATOM 119 C LEU A 10 -12.803 2.613 2.061 1.00 0.00 C ATOM 120 O LEU A 10 -11.659 3.014 1.991 1.00 0.00 O ATOM 121 CB LEU A 10 -14.693 4.278 1.969 1.00 0.00 C ATOM 122 CG LEU A 10 -15.136 5.400 1.024 1.00 0.00 C ATOM 123 CD1 LEU A 10 -16.433 4.997 0.319 1.00 0.00 C ATOM 124 CD2 LEU A 10 -15.373 6.680 1.829 1.00 0.00 C ATOM 0 H LEU A 10 -15.848 2.326 1.177 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.418 3.647 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.564 3.822 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.075 4.686 2.769 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.358 5.574 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.746 5.797 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -16.267 4.085 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.211 4.821 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.688 7.479 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.150 6.503 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.450 6.971 2.331 1.00 0.00 H new ATOM 136 N LEU A 11 -13.138 1.642 2.880 1.00 0.00 N ATOM 137 CA LEU A 11 -12.108 1.002 3.754 1.00 0.00 C ATOM 138 C LEU A 11 -11.077 0.260 2.893 1.00 0.00 C ATOM 139 O LEU A 11 -9.883 0.399 3.086 1.00 0.00 O ATOM 140 CB LEU A 11 -12.886 0.017 4.633 1.00 0.00 C ATOM 141 CG LEU A 11 -12.046 -0.356 5.857 1.00 0.00 C ATOM 142 CD1 LEU A 11 -12.307 0.646 6.984 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.429 -1.760 6.328 1.00 0.00 C ATOM 0 H LEU A 11 -14.081 1.267 2.979 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.560 1.731 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.829 0.463 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.132 -0.878 4.062 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.989 -0.335 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.708 0.379 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.036 1.648 6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.364 0.626 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.832 -2.027 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.486 -1.779 6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.243 -2.476 5.527 1.00 0.00 H new ATOM 155 N HIS A 12 -11.528 -0.520 1.942 1.00 0.00 N ATOM 156 CA HIS A 12 -10.576 -1.268 1.064 1.00 0.00 C ATOM 157 C HIS A 12 -9.838 -0.302 0.128 1.00 0.00 C ATOM 158 O HIS A 12 -8.640 -0.404 -0.051 1.00 0.00 O ATOM 159 CB HIS A 12 -11.440 -2.242 0.261 1.00 0.00 C ATOM 160 CG HIS A 12 -11.330 -3.618 0.859 1.00 0.00 C ATOM 161 ND1 HIS A 12 -10.580 -4.623 0.269 1.00 0.00 N ATOM 162 CD2 HIS A 12 -11.863 -4.168 1.998 1.00 0.00 C ATOM 163 CE1 HIS A 12 -10.684 -5.716 1.047 1.00 0.00 C ATOM 164 NE2 HIS A 12 -11.455 -5.494 2.114 1.00 0.00 N ATOM 0 H HIS A 12 -12.515 -0.671 1.736 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.814 -1.789 1.643 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.479 -1.913 0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.117 -2.259 -0.780 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.502 -3.651 2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.202 -6.659 0.834 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.694 -6.154 2.855 1.00 0.00 H new ATOM 172 N LEU A 13 -10.540 0.638 -0.461 1.00 0.00 N ATOM 173 CA LEU A 13 -9.866 1.612 -1.380 1.00 0.00 C ATOM 174 C LEU A 13 -8.815 2.419 -0.607 1.00 0.00 C ATOM 175 O LEU A 13 -7.707 2.612 -1.072 1.00 0.00 O ATOM 176 CB LEU A 13 -10.982 2.532 -1.898 1.00 0.00 C ATOM 177 CG LEU A 13 -10.865 2.703 -3.421 1.00 0.00 C ATOM 178 CD1 LEU A 13 -9.478 3.248 -3.781 1.00 0.00 C ATOM 179 CD2 LEU A 13 -11.078 1.351 -4.111 1.00 0.00 C ATOM 0 H LEU A 13 -11.545 0.773 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.350 1.112 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.956 2.112 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.918 3.504 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.626 3.407 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.403 3.366 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.330 4.214 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.713 2.551 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.994 1.476 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.322 0.644 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.069 0.970 -3.866 1.00 0.00 H new ATOM 191 N HIS A 14 -9.152 2.878 0.575 1.00 0.00 N ATOM 192 CA HIS A 14 -8.172 3.660 1.391 1.00 0.00 C ATOM 193 C HIS A 14 -6.995 2.762 1.785 1.00 0.00 C ATOM 194 O HIS A 14 -5.850 3.108 1.569 1.00 0.00 O ATOM 195 CB HIS A 14 -8.953 4.117 2.630 1.00 0.00 C ATOM 196 CG HIS A 14 -8.041 4.874 3.562 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.339 6.001 3.162 1.00 0.00 N ATOM 198 CD2 HIS A 14 -7.712 4.676 4.880 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.631 6.433 4.221 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.822 5.662 5.294 1.00 0.00 N ATOM 0 H HIS A 14 -10.065 2.744 1.010 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.758 4.509 0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.788 4.750 2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.376 3.253 3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.087 3.876 5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.986 7.299 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.405 5.772 6.218 1.00 0.00 H new ATOM 208 N GLN A 15 -7.267 1.606 2.349 1.00 0.00 N ATOM 209 CA GLN A 15 -6.158 0.680 2.745 1.00 0.00 C ATOM 210 C GLN A 15 -5.283 0.350 1.529 1.00 0.00 C ATOM 211 O GLN A 15 -4.079 0.232 1.642 1.00 0.00 O ATOM 212 CB GLN A 15 -6.842 -0.585 3.276 1.00 0.00 C ATOM 213 CG GLN A 15 -6.634 -0.684 4.792 1.00 0.00 C ATOM 214 CD GLN A 15 -7.432 0.416 5.498 1.00 0.00 C ATOM 215 OE1 GLN A 15 -8.615 0.266 5.736 1.00 0.00 O ATOM 216 NE2 GLN A 15 -6.832 1.523 5.848 1.00 0.00 N ATOM 0 H GLN A 15 -8.207 1.266 2.551 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.507 1.126 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.907 -0.559 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.431 -1.467 2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.953 -1.663 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.575 -0.587 5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.840 1.650 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.356 2.260 6.320 1.00 0.00 H new ATOM 225 N ASN A 16 -5.876 0.217 0.365 1.00 0.00 N ATOM 226 CA ASN A 16 -5.074 -0.087 -0.861 1.00 0.00 C ATOM 227 C ASN A 16 -3.991 0.984 -1.059 1.00 0.00 C ATOM 228 O ASN A 16 -2.861 0.679 -1.386 1.00 0.00 O ATOM 229 CB ASN A 16 -6.080 -0.059 -2.016 1.00 0.00 C ATOM 230 CG ASN A 16 -5.438 -0.653 -3.272 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.533 -1.840 -3.511 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.783 0.127 -4.089 1.00 0.00 N ATOM 0 H ASN A 16 -6.881 0.306 0.213 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.564 -1.048 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.972 -0.626 -1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.399 0.965 -2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.351 -0.261 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.703 1.124 -3.888 1.00 0.00 H new ATOM 239 N ILE A 17 -4.330 2.234 -0.850 1.00 0.00 N ATOM 240 CA ILE A 17 -3.323 3.332 -1.012 1.00 0.00 C ATOM 241 C ILE A 17 -2.530 3.530 0.293 1.00 0.00 C ATOM 242 O ILE A 17 -1.445 4.080 0.290 1.00 0.00 O ATOM 243 CB ILE A 17 -4.145 4.584 -1.346 1.00 0.00 C ATOM 244 CG1 ILE A 17 -4.864 4.387 -2.686 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.220 5.802 -1.447 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.278 4.965 -2.598 1.00 0.00 C ATOM 0 H ILE A 17 -5.262 2.542 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.593 3.109 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.878 4.748 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.308 4.878 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.908 3.327 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.809 6.688 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.709 5.950 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.483 5.635 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.788 4.825 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.832 4.453 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.222 6.029 -2.370 1.00 0.00 H new ATOM 258 N VAL A 18 -3.062 3.080 1.404 1.00 0.00 N ATOM 259 CA VAL A 18 -2.341 3.232 2.707 1.00 0.00 C ATOM 260 C VAL A 18 -1.392 2.042 2.935 1.00 0.00 C ATOM 261 O VAL A 18 -0.538 2.080 3.799 1.00 0.00 O ATOM 262 CB VAL A 18 -3.452 3.267 3.767 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.847 3.237 5.173 1.00 0.00 C ATOM 264 CG2 VAL A 18 -4.271 4.548 3.602 1.00 0.00 C ATOM 0 H VAL A 18 -3.967 2.613 1.464 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.722 4.128 2.741 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.092 2.394 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.646 3.262 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.264 2.324 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.199 4.103 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.060 4.575 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.621 5.414 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.716 4.570 2.607 1.00 0.00 H new ATOM 274 N ASP A 19 -1.530 0.997 2.158 1.00 0.00 N ATOM 275 CA ASP A 19 -0.633 -0.188 2.311 1.00 0.00 C ATOM 276 C ASP A 19 0.177 -0.409 1.022 1.00 0.00 C ATOM 277 O ASP A 19 0.625 -1.505 0.741 1.00 0.00 O ATOM 278 CB ASP A 19 -1.574 -1.372 2.569 1.00 0.00 C ATOM 279 CG ASP A 19 -1.135 -2.111 3.833 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.157 -2.836 3.762 1.00 0.00 O ATOM 281 OD2 ASP A 19 -1.784 -1.938 4.851 1.00 0.00 O ATOM 0 H ASP A 19 -2.230 0.914 1.420 1.00 0.00 H new ATOM 0 HA ASP A 19 0.087 -0.060 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.599 -1.017 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.563 -2.051 1.716 1.00 0.00 H new ATOM 286 N VAL A 20 0.368 0.629 0.237 1.00 0.00 N ATOM 287 CA VAL A 20 1.150 0.487 -1.035 1.00 0.00 C ATOM 288 C VAL A 20 2.433 1.325 -0.971 1.00 0.00 C ATOM 289 O VAL A 20 3.487 0.899 -1.405 1.00 0.00 O ATOM 290 CB VAL A 20 0.218 0.985 -2.158 1.00 0.00 C ATOM 291 CG1 VAL A 20 -0.152 2.456 -1.945 1.00 0.00 C ATOM 292 CG2 VAL A 20 0.929 0.846 -3.506 1.00 0.00 C ATOM 0 H VAL A 20 0.016 1.568 0.423 1.00 0.00 H new ATOM 0 HA VAL A 20 1.459 -0.544 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.691 0.384 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.810 2.786 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.663 2.568 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.754 3.063 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.272 1.197 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.842 1.442 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.180 -0.200 -3.679 1.00 0.00 H new ATOM 302 N GLN A 21 2.347 2.510 -0.428 1.00 0.00 N ATOM 303 CA GLN A 21 3.549 3.392 -0.322 1.00 0.00 C ATOM 304 C GLN A 21 4.298 3.132 0.992 1.00 0.00 C ATOM 305 O GLN A 21 5.372 3.657 1.213 1.00 0.00 O ATOM 306 CB GLN A 21 2.988 4.816 -0.338 1.00 0.00 C ATOM 307 CG GLN A 21 2.820 5.288 -1.784 1.00 0.00 C ATOM 308 CD GLN A 21 3.840 6.387 -2.085 1.00 0.00 C ATOM 309 OE1 GLN A 21 5.013 6.115 -2.245 1.00 0.00 O ATOM 310 NE2 GLN A 21 3.442 7.629 -2.168 1.00 0.00 N ATOM 0 H GLN A 21 1.488 2.909 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 21 4.260 3.214 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.028 4.845 0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.659 5.487 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.958 4.451 -2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.809 5.664 -1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.457 7.859 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.116 8.368 -2.367 1.00 0.00 H new ATOM 319 N TYR A 22 3.733 2.341 1.869 1.00 0.00 N ATOM 320 CA TYR A 22 4.397 2.061 3.177 1.00 0.00 C ATOM 321 C TYR A 22 4.778 0.576 3.287 1.00 0.00 C ATOM 322 O TYR A 22 5.559 0.196 4.137 1.00 0.00 O ATOM 323 CB TYR A 22 3.352 2.449 4.233 1.00 0.00 C ATOM 324 CG TYR A 22 2.772 3.805 3.885 1.00 0.00 C ATOM 325 CD1 TYR A 22 3.398 4.972 4.336 1.00 0.00 C ATOM 326 CD2 TYR A 22 1.619 3.892 3.093 1.00 0.00 C ATOM 327 CE1 TYR A 22 2.873 6.223 3.996 1.00 0.00 C ATOM 328 CE2 TYR A 22 1.092 5.142 2.755 1.00 0.00 C ATOM 329 CZ TYR A 22 1.720 6.308 3.206 1.00 0.00 C ATOM 330 OH TYR A 22 1.205 7.545 2.870 1.00 0.00 O ATOM 0 H TYR A 22 2.836 1.875 1.734 1.00 0.00 H new ATOM 0 HA TYR A 22 5.326 2.618 3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.561 1.700 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.810 2.479 5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.286 4.907 4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.137 2.991 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.357 7.124 4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.202 5.207 2.147 1.00 0.00 H new ATOM 0 HH TYR A 22 0.404 7.427 2.317 1.00 0.00 H new ATOM 340 N MET A 23 4.244 -0.265 2.429 1.00 0.00 N ATOM 341 CA MET A 23 4.592 -1.717 2.481 1.00 0.00 C ATOM 342 C MET A 23 5.483 -2.098 1.285 1.00 0.00 C ATOM 343 O MET A 23 5.572 -3.254 0.916 1.00 0.00 O ATOM 344 CB MET A 23 3.248 -2.451 2.415 1.00 0.00 C ATOM 345 CG MET A 23 3.114 -3.381 3.623 1.00 0.00 C ATOM 346 SD MET A 23 3.673 -5.044 3.174 1.00 0.00 S ATOM 347 CE MET A 23 3.221 -5.861 4.723 1.00 0.00 C ATOM 0 H MET A 23 3.583 -0.005 1.697 1.00 0.00 H new ATOM 0 HA MET A 23 5.151 -1.975 3.381 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.429 -1.732 2.404 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.180 -3.025 1.491 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.706 -3.000 4.455 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.077 -3.413 3.957 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.482 -6.918 4.667 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.760 -5.398 5.549 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.148 -5.761 4.888 1.00 0.00 H new ATOM 357 N TYR A 24 6.150 -1.138 0.683 1.00 0.00 N ATOM 358 CA TYR A 24 7.039 -1.452 -0.480 1.00 0.00 C ATOM 359 C TYR A 24 8.516 -1.441 -0.044 1.00 0.00 C ATOM 360 O TYR A 24 9.405 -1.216 -0.845 1.00 0.00 O ATOM 361 CB TYR A 24 6.764 -0.340 -1.497 1.00 0.00 C ATOM 362 CG TYR A 24 6.860 -0.898 -2.898 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.797 -1.636 -3.433 1.00 0.00 C ATOM 364 CD2 TYR A 24 8.012 -0.676 -3.663 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.885 -2.152 -4.731 1.00 0.00 C ATOM 366 CE2 TYR A 24 8.100 -1.193 -4.960 1.00 0.00 C ATOM 367 CZ TYR A 24 7.037 -1.931 -5.495 1.00 0.00 C ATOM 368 OH TYR A 24 7.124 -2.438 -6.774 1.00 0.00 O ATOM 0 H TYR A 24 6.116 -0.154 0.948 1.00 0.00 H new ATOM 0 HA TYR A 24 6.844 -2.441 -0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.773 0.082 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.481 0.470 -1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.908 -1.807 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.832 -0.106 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.064 -2.721 -5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.989 -1.023 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 24 7.988 -2.193 -7.165 1.00 0.00 H new ATOM 378 N GLY A 25 8.781 -1.685 1.218 1.00 0.00 N ATOM 379 CA GLY A 25 10.192 -1.690 1.707 1.00 0.00 C ATOM 380 C GLY A 25 10.241 -1.134 3.133 1.00 0.00 C ATOM 381 O GLY A 25 10.856 -0.118 3.387 1.00 0.00 O ATOM 0 H GLY A 25 8.077 -1.881 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.591 -2.704 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.818 -1.088 1.049 1.00 0.00 H new ATOM 385 N LEU A 26 9.594 -1.795 4.063 1.00 0.00 N ATOM 386 CA LEU A 26 9.598 -1.310 5.480 1.00 0.00 C ATOM 387 C LEU A 26 9.390 -2.487 6.441 1.00 0.00 C ATOM 388 O LEU A 26 8.401 -2.560 7.150 1.00 0.00 O ATOM 389 CB LEU A 26 8.429 -0.323 5.566 1.00 0.00 C ATOM 390 CG LEU A 26 8.961 1.112 5.519 1.00 0.00 C ATOM 391 CD1 LEU A 26 8.050 1.971 4.639 1.00 0.00 C ATOM 392 CD2 LEU A 26 8.990 1.691 6.937 1.00 0.00 C ATOM 0 H LEU A 26 9.063 -2.651 3.902 1.00 0.00 H new ATOM 0 HA LEU A 26 10.543 -0.841 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.737 -0.492 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.871 -0.484 6.488 1.00 0.00 H new ATOM 0 HG LEU A 26 9.969 1.110 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.431 2.992 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.027 1.561 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.041 1.973 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.369 2.713 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.982 1.690 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.640 1.082 7.565 1.00 0.00 H new ATOM 404 N SER A 27 10.317 -3.411 6.463 1.00 0.00 N ATOM 405 CA SER A 27 10.188 -4.595 7.371 1.00 0.00 C ATOM 406 C SER A 27 10.314 -4.174 8.847 1.00 0.00 C ATOM 407 O SER A 27 9.452 -4.495 9.643 1.00 0.00 O ATOM 408 CB SER A 27 11.325 -5.541 6.975 1.00 0.00 C ATOM 409 OG SER A 27 10.876 -6.405 5.939 1.00 0.00 O ATOM 0 H SER A 27 11.161 -3.398 5.890 1.00 0.00 H new ATOM 0 HA SER A 27 9.213 -5.073 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.189 -4.969 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.646 -6.125 7.838 1.00 0.00 H new ATOM 0 HG SER A 27 11.602 -7.011 5.681 1.00 0.00 H new ATOM 415 N PRO A 28 11.380 -3.467 9.174 1.00 0.00 N ATOM 416 CA PRO A 28 11.585 -3.012 10.575 1.00 0.00 C ATOM 417 C PRO A 28 10.678 -1.810 10.889 1.00 0.00 C ATOM 418 O PRO A 28 11.142 -0.734 11.221 1.00 0.00 O ATOM 419 CB PRO A 28 13.057 -2.610 10.610 1.00 0.00 C ATOM 420 CG PRO A 28 13.408 -2.267 9.197 1.00 0.00 C ATOM 421 CD PRO A 28 12.476 -3.035 8.293 1.00 0.00 C ATOM 0 HA PRO A 28 11.340 -3.775 11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.216 -1.759 11.272 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.678 -3.425 10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.308 -1.195 9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.445 -2.527 8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.108 -2.410 7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.979 -3.888 7.837 1.00 0.00 H new ATOM 429 N ALA A 29 9.385 -1.992 10.782 1.00 0.00 N ATOM 430 CA ALA A 29 8.432 -0.876 11.068 1.00 0.00 C ATOM 431 C ALA A 29 7.047 -1.440 11.410 1.00 0.00 C ATOM 432 O ALA A 29 6.511 -1.181 12.471 1.00 0.00 O ATOM 433 CB ALA A 29 8.377 -0.056 9.777 1.00 0.00 C ATOM 0 H ALA A 29 8.947 -2.871 10.507 1.00 0.00 H new ATOM 0 HA ALA A 29 8.747 -0.271 11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.695 0.784 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.373 0.318 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.023 -0.686 8.961 1.00 0.00 H new ATOM 439 N ILE A 30 6.469 -2.216 10.522 1.00 0.00 N ATOM 440 CA ILE A 30 5.119 -2.806 10.798 1.00 0.00 C ATOM 441 C ILE A 30 5.213 -3.864 11.911 1.00 0.00 C ATOM 442 O ILE A 30 4.239 -4.157 12.578 1.00 0.00 O ATOM 443 CB ILE A 30 4.670 -3.438 9.471 1.00 0.00 C ATOM 444 CG1 ILE A 30 4.397 -2.331 8.445 1.00 0.00 C ATOM 445 CG2 ILE A 30 3.387 -4.249 9.690 1.00 0.00 C ATOM 446 CD1 ILE A 30 4.087 -2.954 7.080 1.00 0.00 C ATOM 0 H ILE A 30 6.873 -2.466 9.619 1.00 0.00 H new ATOM 0 HA ILE A 30 4.407 -2.056 11.143 1.00 0.00 H new ATOM 0 HB ILE A 30 5.457 -4.096 9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.559 -1.717 8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.263 -1.673 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.073 -4.695 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.575 -5.037 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.600 -3.592 10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.894 -2.164 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.938 -3.549 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.208 -3.593 7.163 1.00 0.00 H new ATOM 458 N THR A 31 6.380 -4.426 12.121 1.00 0.00 N ATOM 459 CA THR A 31 6.547 -5.456 13.198 1.00 0.00 C ATOM 460 C THR A 31 6.237 -4.844 14.571 1.00 0.00 C ATOM 461 O THR A 31 5.588 -5.456 15.397 1.00 0.00 O ATOM 462 CB THR A 31 8.017 -5.891 13.128 1.00 0.00 C ATOM 463 OG1 THR A 31 8.856 -4.740 13.122 1.00 0.00 O ATOM 464 CG2 THR A 31 8.257 -6.707 11.855 1.00 0.00 C ATOM 0 H THR A 31 7.226 -4.216 11.592 1.00 0.00 H new ATOM 0 HA THR A 31 5.870 -6.299 13.061 1.00 0.00 H new ATOM 0 HB THR A 31 8.250 -6.506 13.997 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.794 -5.019 13.079 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.302 -7.013 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.620 -7.591 11.864 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.020 -6.098 10.982 1.00 0.00 H new ATOM 472 N LYS A 32 6.690 -3.637 14.812 1.00 0.00 N ATOM 473 CA LYS A 32 6.420 -2.972 16.125 1.00 0.00 C ATOM 474 C LYS A 32 4.928 -2.642 16.261 1.00 0.00 C ATOM 475 O LYS A 32 4.409 -2.521 17.354 1.00 0.00 O ATOM 476 CB LYS A 32 7.256 -1.688 16.108 1.00 0.00 C ATOM 477 CG LYS A 32 7.671 -1.324 17.536 1.00 0.00 C ATOM 478 CD LYS A 32 6.698 -0.290 18.109 1.00 0.00 C ATOM 479 CE LYS A 32 6.275 -0.713 19.520 1.00 0.00 C ATOM 480 NZ LYS A 32 6.124 0.558 20.285 1.00 0.00 N ATOM 0 H LYS A 32 7.237 -3.082 14.153 1.00 0.00 H new ATOM 0 HA LYS A 32 6.680 -3.613 16.967 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.140 -1.827 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.681 -0.874 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.678 -2.217 18.162 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.685 -0.924 17.540 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.170 0.692 18.138 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.822 -0.204 17.466 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.340 -1.272 19.499 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.023 -1.360 19.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.836 0.344 21.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.031 1.066 20.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.400 1.152 19.832 1.00 0.00 H new ATOM 494 N TYR A 33 4.237 -2.503 15.159 1.00 0.00 N ATOM 495 CA TYR A 33 2.776 -2.192 15.215 1.00 0.00 C ATOM 496 C TYR A 33 1.971 -3.474 15.471 1.00 0.00 C ATOM 497 O TYR A 33 0.905 -3.436 16.055 1.00 0.00 O ATOM 498 CB TYR A 33 2.434 -1.609 13.838 1.00 0.00 C ATOM 499 CG TYR A 33 1.869 -0.217 14.001 1.00 0.00 C ATOM 500 CD1 TYR A 33 0.528 -0.043 14.369 1.00 0.00 C ATOM 501 CD2 TYR A 33 2.685 0.900 13.782 1.00 0.00 C ATOM 502 CE1 TYR A 33 0.005 1.247 14.518 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.161 2.189 13.931 1.00 0.00 C ATOM 504 CZ TYR A 33 0.821 2.362 14.299 1.00 0.00 C ATOM 505 OH TYR A 33 0.305 3.634 14.446 1.00 0.00 O ATOM 0 H TYR A 33 4.623 -2.592 14.219 1.00 0.00 H new ATOM 0 HA TYR A 33 2.535 -1.498 16.020 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.327 -1.579 13.213 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.711 -2.248 13.331 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.102 -0.904 14.538 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.718 0.767 13.498 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.028 1.381 14.802 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.790 3.050 13.762 1.00 0.00 H new ATOM 0 HH TYR A 33 1.004 4.294 14.258 1.00 0.00 H new ATOM 515 N VAL A 34 2.472 -4.606 15.032 1.00 0.00 N ATOM 516 CA VAL A 34 1.736 -5.892 15.242 1.00 0.00 C ATOM 517 C VAL A 34 2.209 -6.579 16.534 1.00 0.00 C ATOM 518 O VAL A 34 1.420 -7.159 17.258 1.00 0.00 O ATOM 519 CB VAL A 34 2.075 -6.754 14.018 1.00 0.00 C ATOM 520 CG1 VAL A 34 1.413 -8.129 14.154 1.00 0.00 C ATOM 521 CG2 VAL A 34 1.560 -6.070 12.746 1.00 0.00 C ATOM 0 H VAL A 34 3.360 -4.693 14.537 1.00 0.00 H new ATOM 0 HA VAL A 34 0.662 -5.735 15.345 1.00 0.00 H new ATOM 0 HB VAL A 34 3.157 -6.875 13.956 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.656 -8.738 13.283 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.779 -8.622 15.055 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.332 -8.007 14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.802 -6.684 11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.479 -5.946 12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.032 -5.093 12.642 1.00 0.00 H new ATOM 531 N VAL A 35 3.488 -6.526 16.823 1.00 0.00 N ATOM 532 CA VAL A 35 4.011 -7.185 18.063 1.00 0.00 C ATOM 533 C VAL A 35 4.276 -6.148 19.171 1.00 0.00 C ATOM 534 O VAL A 35 4.894 -6.457 20.173 1.00 0.00 O ATOM 535 CB VAL A 35 5.321 -7.869 17.634 1.00 0.00 C ATOM 536 CG1 VAL A 35 5.794 -8.816 18.740 1.00 0.00 C ATOM 537 CG2 VAL A 35 5.092 -8.677 16.351 1.00 0.00 C ATOM 0 H VAL A 35 4.192 -6.055 16.254 1.00 0.00 H new ATOM 0 HA VAL A 35 3.294 -7.896 18.474 1.00 0.00 H new ATOM 0 HB VAL A 35 6.076 -7.104 17.454 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.722 -9.299 18.433 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.965 -8.250 19.655 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.032 -9.575 18.920 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.023 -9.158 16.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.332 -9.437 16.531 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.758 -8.010 15.556 1.00 0.00 H new ATOM 547 N ARG A 36 3.806 -4.928 19.005 1.00 0.00 N ATOM 548 CA ARG A 36 4.020 -3.863 20.046 1.00 0.00 C ATOM 549 C ARG A 36 5.523 -3.633 20.308 1.00 0.00 C ATOM 550 O ARG A 36 6.317 -3.910 19.419 1.00 0.00 O ATOM 551 CB ARG A 36 3.307 -4.380 21.307 1.00 0.00 C ATOM 552 CG ARG A 36 1.810 -4.069 21.219 1.00 0.00 C ATOM 553 CD ARG A 36 1.055 -5.301 20.704 1.00 0.00 C ATOM 554 NE ARG A 36 0.866 -6.176 21.898 1.00 0.00 N ATOM 555 CZ ARG A 36 0.825 -7.474 21.758 1.00 0.00 C ATOM 556 NH1 ARG A 36 1.931 -8.146 21.566 1.00 0.00 N ATOM 557 NH2 ARG A 36 -0.322 -8.100 21.809 1.00 0.00 N ATOM 558 OXT ARG A 36 5.855 -3.163 21.386 1.00 0.00 O ATOM 0 H ARG A 36 3.279 -4.623 18.186 1.00 0.00 H new ATOM 0 HA ARG A 36 3.623 -2.900 19.725 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.459 -5.455 21.408 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.734 -3.913 22.195 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.430 -3.782 22.199 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.643 -3.223 20.552 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.097 -5.020 20.267 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.622 -5.813 19.927 1.00 0.00 H new ATOM 0 HE ARG A 36 0.769 -5.760 22.824 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.825 -7.656 21.526 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.899 -9.160 21.457 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.184 -7.575 21.958 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.355 -9.114 21.700 1.00 0.00 H new TER 572 ARG A 36