USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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: C 11 SER OG : rot 180:sc= 0.31 USER MOD Set 1.2: C 21 THR OG1 : rot -73:sc= 0.318 USER MOD Set 2.1: C 13 ASN : amide:sc=-0.00371 K(o=-0.0037,f=-1.4!) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.814 K(o=0.81,f=-3.8!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.558 USER MOD Set 4.2: A 21 THR OG1 : rot -72:sc= 0.622 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0144 (180deg=-0.272) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00744 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.000271 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 18:sc= 0.0113 USER MOD Single : A 28 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.3!) USER MOD Single : A 29 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.13) USER MOD Single : A 35 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0215 (180deg=-0.215) USER MOD Single : A 43 HIS : no HE2:sc= -2.48 K(o=-2.5,f=-4.4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -115:sc= -0.0649 (180deg=-0.63) USER MOD Single : C 1 MET N :NH3+ 133:sc= 0.00741 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 28:sc= 0.929 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.0961 F(o=-0.61,f=-0.096) USER MOD Single : C 29 GLN : amide:sc= -0.213 K(o=-0.21,f=-4!) USER MOD Single : C 35 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 161:sc= -0.0313 (180deg=-0.304) USER MOD Single : C 43 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-3.4!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.975 -5.080 -11.334 1.00 0.00 N ATOM 2 CA MET A 1 -5.902 -4.213 -10.142 1.00 0.00 C ATOM 3 C MET A 1 -6.986 -4.587 -9.146 1.00 0.00 C ATOM 4 O MET A 1 -8.133 -4.792 -9.535 1.00 0.00 O ATOM 5 CB MET A 1 -6.045 -2.746 -10.545 1.00 0.00 C ATOM 6 CG MET A 1 -5.728 -1.785 -9.401 1.00 0.00 C ATOM 7 SD MET A 1 -3.964 -1.531 -9.116 1.00 0.00 S ATOM 8 CE MET A 1 -3.668 -0.432 -10.520 1.00 0.00 C ATOM 0 H1 MET A 1 -5.850 -4.504 -12.191 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.225 -5.799 -11.287 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.902 -5.550 -11.365 1.00 0.00 H new ATOM 0 HA MET A 1 -4.930 -4.356 -9.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.380 -2.538 -11.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.062 -2.567 -10.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.193 -0.822 -9.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.182 -2.165 -8.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.854 -0.828 -11.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.572 -0.364 -11.125 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.399 0.560 -10.156 1.00 0.00 H new ATOM 20 N LEU A 2 -6.625 -4.669 -7.864 1.00 0.00 N ATOM 21 CA LEU A 2 -7.563 -4.874 -6.776 1.00 0.00 C ATOM 22 C LEU A 2 -7.443 -3.639 -5.895 1.00 0.00 C ATOM 23 O LEU A 2 -6.339 -3.273 -5.500 1.00 0.00 O ATOM 24 CB LEU A 2 -7.224 -6.192 -6.066 1.00 0.00 C ATOM 25 CG LEU A 2 -8.140 -6.559 -4.891 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.751 -5.811 -3.616 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.607 -6.297 -5.207 1.00 0.00 C ATOM 0 H LEU A 2 -5.656 -4.593 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.600 -4.977 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.259 -6.999 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.198 -6.136 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.008 -7.628 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.423 -6.098 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.726 -6.064 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.826 -4.737 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.219 -6.571 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.748 -5.239 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.905 -6.893 -6.070 1.00 0.00 H new ATOM 39 N ILE A 3 -8.569 -2.992 -5.588 1.00 0.00 N ATOM 40 CA ILE A 3 -8.546 -1.667 -4.988 1.00 0.00 C ATOM 41 C ILE A 3 -9.289 -1.650 -3.669 1.00 0.00 C ATOM 42 O ILE A 3 -10.289 -2.345 -3.493 1.00 0.00 O ATOM 43 CB ILE A 3 -9.149 -0.685 -5.996 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.332 -0.797 -7.290 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.146 0.757 -5.486 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.977 -0.058 -8.446 1.00 0.00 C ATOM 0 H ILE A 3 -9.504 -3.368 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.521 -1.373 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.195 -0.942 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.332 -0.399 -7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.216 -1.848 -7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.584 1.411 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.730 0.819 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.121 1.070 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.360 -0.168 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.967 -0.473 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.069 0.999 -8.196 1.00 0.00 H new ATOM 58 N LEU A 4 -8.778 -0.837 -2.741 1.00 0.00 N ATOM 59 CA LEU A 4 -9.274 -0.748 -1.382 1.00 0.00 C ATOM 60 C LEU A 4 -9.219 0.706 -0.927 1.00 0.00 C ATOM 61 O LEU A 4 -8.445 1.496 -1.465 1.00 0.00 O ATOM 62 CB LEU A 4 -8.416 -1.647 -0.480 1.00 0.00 C ATOM 63 CG LEU A 4 -8.516 -3.122 -0.887 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.520 -3.955 -0.090 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.911 -3.679 -0.615 1.00 0.00 C ATOM 0 H LEU A 4 -7.992 -0.213 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.308 -1.087 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.376 -1.326 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.735 -1.533 0.556 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.301 -3.178 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.600 -5.001 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.509 -3.598 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.738 -3.863 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.949 -4.726 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.134 -3.597 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.647 -3.112 -1.185 1.00 0.00 H new ATOM 77 N THR A 5 -10.044 1.055 0.062 1.00 0.00 N ATOM 78 CA THR A 5 -10.131 2.419 0.561 1.00 0.00 C ATOM 79 C THR A 5 -9.896 2.428 2.061 1.00 0.00 C ATOM 80 O THR A 5 -10.356 1.538 2.778 1.00 0.00 O ATOM 81 CB THR A 5 -11.497 3.012 0.212 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.742 2.855 -1.167 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.550 4.502 0.538 1.00 0.00 C ATOM 0 H THR A 5 -10.666 0.399 0.535 1.00 0.00 H new ATOM 0 HA THR A 5 -9.364 3.034 0.090 1.00 0.00 H new ATOM 0 HB THR A 5 -12.249 2.488 0.802 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.618 3.234 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.533 4.896 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.369 4.648 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.786 5.027 -0.035 1.00 0.00 H new ATOM 91 N ARG A 6 -9.171 3.445 2.531 1.00 0.00 N ATOM 92 CA ARG A 6 -8.761 3.583 3.919 1.00 0.00 C ATOM 93 C ARG A 6 -8.799 5.050 4.320 1.00 0.00 C ATOM 94 O ARG A 6 -9.142 5.910 3.512 1.00 0.00 O ATOM 95 CB ARG A 6 -7.323 3.069 4.070 1.00 0.00 C ATOM 96 CG ARG A 6 -7.127 1.587 3.737 1.00 0.00 C ATOM 97 CD ARG A 6 -7.528 0.657 4.884 1.00 0.00 C ATOM 98 NE ARG A 6 -8.973 0.639 5.119 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.573 -0.138 6.022 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.872 -1.019 6.735 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.881 -0.036 6.218 1.00 0.00 N ATOM 0 H ARG A 6 -8.848 4.210 1.939 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.436 3.010 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.672 3.660 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.997 3.242 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.714 1.338 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.081 1.413 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.188 -0.354 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.020 0.971 5.796 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.557 1.259 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.866 -1.105 6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.342 -1.608 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.427 0.636 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.341 -0.630 6.908 1.00 0.00 H new ATOM 115 N LYS A 7 -8.440 5.326 5.572 1.00 0.00 N ATOM 116 CA LYS A 7 -8.235 6.673 6.077 1.00 0.00 C ATOM 117 C LYS A 7 -7.022 6.619 6.991 1.00 0.00 C ATOM 118 O LYS A 7 -6.710 5.557 7.533 1.00 0.00 O ATOM 119 CB LYS A 7 -9.500 7.165 6.781 1.00 0.00 C ATOM 120 CG LYS A 7 -9.358 8.594 7.309 1.00 0.00 C ATOM 121 CD LYS A 7 -10.666 9.117 7.906 1.00 0.00 C ATOM 122 CE LYS A 7 -11.749 9.196 6.831 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.980 9.820 7.350 1.00 0.00 N ATOM 0 H LYS A 7 -8.282 4.603 6.274 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.045 7.390 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.339 7.119 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.734 6.497 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.576 8.624 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.042 9.250 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.993 8.461 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.505 10.103 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.379 9.770 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.974 8.194 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.695 9.858 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.346 9.258 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.769 10.785 7.676 1.00 0.00 H new ATOM 137 N VAL A 8 -6.336 7.750 7.163 1.00 0.00 N ATOM 138 CA VAL A 8 -5.074 7.765 7.884 1.00 0.00 C ATOM 139 C VAL A 8 -5.164 7.048 9.230 1.00 0.00 C ATOM 140 O VAL A 8 -5.926 7.437 10.111 1.00 0.00 O ATOM 141 CB VAL A 8 -4.511 9.179 7.988 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.383 9.715 6.565 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.356 10.164 8.786 1.00 0.00 C ATOM 0 H VAL A 8 -6.636 8.660 6.813 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.356 7.189 7.301 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.566 9.099 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.982 10.728 6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.711 9.074 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.364 9.726 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.866 11.138 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.339 10.258 8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.469 9.802 9.808 1.00 0.00 H new ATOM 153 N GLY A 9 -4.364 5.985 9.363 1.00 0.00 N ATOM 154 CA GLY A 9 -4.293 5.165 10.568 1.00 0.00 C ATOM 155 C GLY A 9 -4.753 3.721 10.331 1.00 0.00 C ATOM 156 O GLY A 9 -4.446 2.845 11.142 1.00 0.00 O ATOM 0 H GLY A 9 -3.739 5.668 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.268 5.159 10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.910 5.615 11.346 1.00 0.00 H new ATOM 160 N GLU A 10 -5.480 3.457 9.242 1.00 0.00 N ATOM 161 CA GLU A 10 -5.995 2.126 8.925 1.00 0.00 C ATOM 162 C GLU A 10 -4.964 1.294 8.155 1.00 0.00 C ATOM 163 O GLU A 10 -3.883 1.785 7.834 1.00 0.00 O ATOM 164 CB GLU A 10 -7.298 2.247 8.137 1.00 0.00 C ATOM 165 CG GLU A 10 -8.370 2.941 8.979 1.00 0.00 C ATOM 166 CD GLU A 10 -9.720 2.953 8.261 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.730 3.204 7.036 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.735 2.710 8.952 1.00 0.00 O ATOM 0 H GLU A 10 -5.728 4.166 8.552 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.196 1.604 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.125 2.811 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.644 1.257 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.470 2.431 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.061 3.964 9.194 1.00 0.00 H new ATOM 175 N SER A 11 -5.292 0.030 7.857 1.00 0.00 N ATOM 176 CA SER A 11 -4.341 -0.906 7.266 1.00 0.00 C ATOM 177 C SER A 11 -4.965 -1.817 6.210 1.00 0.00 C ATOM 178 O SER A 11 -6.184 -1.884 6.066 1.00 0.00 O ATOM 179 CB SER A 11 -3.723 -1.759 8.377 1.00 0.00 C ATOM 180 OG SER A 11 -3.011 -0.941 9.283 1.00 0.00 O ATOM 0 H SER A 11 -6.218 -0.365 8.019 1.00 0.00 H new ATOM 0 HA SER A 11 -3.581 -0.313 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.506 -2.303 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.054 -2.503 7.945 1.00 0.00 H new ATOM 0 HG SER A 11 -2.622 -1.497 9.990 1.00 0.00 H new ATOM 186 N ILE A 12 -4.089 -2.515 5.476 1.00 0.00 N ATOM 187 CA ILE A 12 -4.396 -3.414 4.367 1.00 0.00 C ATOM 188 C ILE A 12 -3.502 -4.650 4.515 1.00 0.00 C ATOM 189 O ILE A 12 -2.492 -4.590 5.216 1.00 0.00 O ATOM 190 CB ILE A 12 -4.110 -2.691 3.036 1.00 0.00 C ATOM 191 CG1 ILE A 12 -4.969 -1.430 2.861 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.301 -3.612 1.827 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.453 -1.738 2.677 1.00 0.00 C ATOM 0 H ILE A 12 -3.086 -2.460 5.655 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.444 -3.712 4.375 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.063 -2.391 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.843 -0.788 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.610 -0.870 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.089 -3.060 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.621 -4.460 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.329 -3.972 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.006 -0.806 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.589 -2.356 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.825 -2.272 3.551 1.00 0.00 H new ATOM 205 N ASN A 13 -3.843 -5.772 3.875 1.00 0.00 N ATOM 206 CA ASN A 13 -3.095 -7.010 4.040 1.00 0.00 C ATOM 207 C ASN A 13 -2.797 -7.684 2.702 1.00 0.00 C ATOM 208 O ASN A 13 -3.552 -7.539 1.738 1.00 0.00 O ATOM 209 CB ASN A 13 -3.891 -7.958 4.938 1.00 0.00 C ATOM 210 CG ASN A 13 -4.257 -7.311 6.262 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.345 -6.760 6.400 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.361 -7.372 7.242 1.00 0.00 N ATOM 0 H ASN A 13 -4.636 -5.843 3.237 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.136 -6.769 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.800 -8.269 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.306 -8.859 5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.567 -6.952 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.468 -7.839 7.088 1.00 0.00 H new ATOM 219 N ILE A 14 -1.683 -8.424 2.665 1.00 0.00 N ATOM 220 CA ILE A 14 -1.218 -9.138 1.481 1.00 0.00 C ATOM 221 C ILE A 14 -0.617 -10.471 1.918 1.00 0.00 C ATOM 222 O ILE A 14 0.178 -10.522 2.860 1.00 0.00 O ATOM 223 CB ILE A 14 -0.156 -8.305 0.748 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.734 -6.944 0.330 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.367 -9.076 -0.469 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.311 -6.057 -0.345 1.00 0.00 C ATOM 0 H ILE A 14 -1.072 -8.542 3.473 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.054 -9.311 0.804 1.00 0.00 H new ATOM 0 HB ILE A 14 0.679 -8.122 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.571 -7.100 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.129 -6.433 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.120 -8.478 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.812 -10.015 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.458 -9.284 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.144 -5.106 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.136 -5.877 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.687 -6.554 -1.239 1.00 0.00 H new ATOM 238 N GLY A 15 -0.992 -11.551 1.231 1.00 0.00 N ATOM 239 CA GLY A 15 -0.515 -12.885 1.557 1.00 0.00 C ATOM 240 C GLY A 15 -0.783 -13.209 3.025 1.00 0.00 C ATOM 241 O GLY A 15 -1.795 -12.797 3.588 1.00 0.00 O ATOM 0 H GLY A 15 -1.632 -11.521 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.010 -13.619 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.553 -12.955 1.353 1.00 0.00 H new ATOM 245 N ASP A 16 0.139 -13.952 3.637 1.00 0.00 N ATOM 246 CA ASP A 16 0.081 -14.302 5.050 1.00 0.00 C ATOM 247 C ASP A 16 1.365 -13.867 5.759 1.00 0.00 C ATOM 248 O ASP A 16 1.641 -14.308 6.874 1.00 0.00 O ATOM 249 CB ASP A 16 -0.213 -15.796 5.210 1.00 0.00 C ATOM 250 CG ASP A 16 0.920 -16.678 4.688 1.00 0.00 C ATOM 251 OD1 ASP A 16 1.131 -16.684 3.453 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.570 -17.340 5.529 1.00 0.00 O ATOM 0 H ASP A 16 0.955 -14.331 3.157 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.737 -13.764 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.385 -16.018 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.133 -16.040 4.679 1.00 0.00 H new ATOM 257 N ASP A 17 2.152 -13.001 5.110 1.00 0.00 N ATOM 258 CA ASP A 17 3.426 -12.520 5.638 1.00 0.00 C ATOM 259 C ASP A 17 3.581 -11.006 5.483 1.00 0.00 C ATOM 260 O ASP A 17 4.615 -10.476 5.881 1.00 0.00 O ATOM 261 CB ASP A 17 4.584 -13.224 4.927 1.00 0.00 C ATOM 262 CG ASP A 17 4.579 -14.732 5.176 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.877 -15.123 6.327 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.280 -15.479 4.219 1.00 0.00 O ATOM 0 H ASP A 17 1.917 -12.613 4.196 1.00 0.00 H new ATOM 0 HA ASP A 17 3.442 -12.750 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.521 -13.034 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.529 -12.803 5.270 1.00 0.00 H new ATOM 269 N ILE A 18 2.595 -10.293 4.921 1.00 0.00 N ATOM 270 CA ILE A 18 2.737 -8.859 4.702 1.00 0.00 C ATOM 271 C ILE A 18 1.486 -8.096 5.130 1.00 0.00 C ATOM 272 O ILE A 18 0.363 -8.585 5.012 1.00 0.00 O ATOM 273 CB ILE A 18 3.059 -8.566 3.226 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.298 -9.325 2.736 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.294 -7.065 3.028 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.885 -10.625 2.041 1.00 0.00 C ATOM 0 H ILE A 18 1.704 -10.685 4.616 1.00 0.00 H new ATOM 0 HA ILE A 18 3.566 -8.515 5.321 1.00 0.00 H new ATOM 0 HB ILE A 18 2.201 -8.902 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.866 -8.701 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.953 -9.547 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.521 -6.867 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.397 -6.515 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.131 -6.743 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.775 -11.153 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.337 -11.254 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.249 -10.395 1.187 1.00 0.00 H new ATOM 288 N THR A 19 1.709 -6.876 5.626 1.00 0.00 N ATOM 289 CA THR A 19 0.666 -5.941 6.007 1.00 0.00 C ATOM 290 C THR A 19 1.119 -4.542 5.594 1.00 0.00 C ATOM 291 O THR A 19 2.316 -4.283 5.475 1.00 0.00 O ATOM 292 CB THR A 19 0.423 -6.037 7.518 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.041 -7.333 7.827 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.615 -5.032 8.013 1.00 0.00 C ATOM 0 H THR A 19 2.649 -6.509 5.775 1.00 0.00 H new ATOM 0 HA THR A 19 -0.276 -6.171 5.509 1.00 0.00 H new ATOM 0 HB THR A 19 1.370 -5.816 8.011 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.197 -7.403 8.792 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.747 -5.145 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.275 -4.020 7.793 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.565 -5.213 7.510 1.00 0.00 H new ATOM 302 N ILE A 20 0.160 -3.642 5.372 1.00 0.00 N ATOM 303 CA ILE A 20 0.411 -2.283 4.907 1.00 0.00 C ATOM 304 C ILE A 20 -0.417 -1.330 5.762 1.00 0.00 C ATOM 305 O ILE A 20 -1.493 -1.700 6.231 1.00 0.00 O ATOM 306 CB ILE A 20 -0.002 -2.159 3.433 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.688 -3.194 2.532 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.261 -0.747 2.896 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.187 -2.944 2.379 1.00 0.00 C ATOM 0 H ILE A 20 -0.830 -3.844 5.514 1.00 0.00 H new ATOM 0 HA ILE A 20 1.470 -2.040 4.993 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.073 -2.359 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.531 -4.190 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.220 -3.181 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.042 -0.693 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.311 -0.024 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.324 -0.519 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.619 -3.707 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.349 -1.960 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.665 -2.986 3.358 1.00 0.00 H new ATOM 321 N THR A 21 0.070 -0.105 5.973 1.00 0.00 N ATOM 322 CA THR A 21 -0.620 0.865 6.820 1.00 0.00 C ATOM 323 C THR A 21 -0.451 2.276 6.266 1.00 0.00 C ATOM 324 O THR A 21 0.651 2.677 5.904 1.00 0.00 O ATOM 325 CB THR A 21 -0.054 0.786 8.242 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.148 -0.532 8.737 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.813 1.708 9.194 1.00 0.00 C ATOM 0 H THR A 21 0.941 0.237 5.567 1.00 0.00 H new ATOM 0 HA THR A 21 -1.684 0.631 6.837 1.00 0.00 H new ATOM 0 HB THR A 21 0.989 1.098 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.086 -0.744 8.928 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.387 1.629 10.194 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.731 2.738 8.846 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.863 1.417 9.223 1.00 0.00 H new ATOM 335 N ILE A 22 -1.551 3.027 6.199 1.00 0.00 N ATOM 336 CA ILE A 22 -1.549 4.417 5.770 1.00 0.00 C ATOM 337 C ILE A 22 -1.249 5.275 7.000 1.00 0.00 C ATOM 338 O ILE A 22 -2.159 5.668 7.725 1.00 0.00 O ATOM 339 CB ILE A 22 -2.880 4.756 5.070 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.067 6.259 4.840 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.097 4.233 5.830 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.887 6.861 4.091 1.00 0.00 C ATOM 0 H ILE A 22 -2.477 2.678 6.445 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.778 4.618 5.026 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.813 4.252 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.983 6.430 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.185 6.763 5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.006 4.501 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.033 3.148 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.122 4.676 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.054 7.928 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.975 6.712 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.785 6.374 3.121 1.00 0.00 H new ATOM 354 N LEU A 23 0.034 5.571 7.245 1.00 0.00 N ATOM 355 CA LEU A 23 0.430 6.278 8.458 1.00 0.00 C ATOM 356 C LEU A 23 -0.115 7.710 8.453 1.00 0.00 C ATOM 357 O LEU A 23 -0.342 8.290 9.513 1.00 0.00 O ATOM 358 CB LEU A 23 1.958 6.294 8.620 1.00 0.00 C ATOM 359 CG LEU A 23 2.668 5.047 8.087 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.172 5.254 8.233 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.269 3.791 8.857 1.00 0.00 C ATOM 0 H LEU A 23 0.806 5.332 6.622 1.00 0.00 H new ATOM 0 HA LEU A 23 0.003 5.743 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.356 7.170 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.197 6.408 9.677 1.00 0.00 H new ATOM 0 HG LEU A 23 2.381 4.907 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.698 4.376 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.476 6.131 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.418 5.404 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.796 2.930 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.532 3.910 9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.194 3.635 8.767 1.00 0.00 H new ATOM 373 N GLY A 24 -0.330 8.278 7.261 1.00 0.00 N ATOM 374 CA GLY A 24 -0.946 9.587 7.112 1.00 0.00 C ATOM 375 C GLY A 24 -0.597 10.226 5.772 1.00 0.00 C ATOM 376 O GLY A 24 -0.012 9.577 4.911 1.00 0.00 O ATOM 0 H GLY A 24 -0.079 7.837 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.028 9.492 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.617 10.238 7.922 1.00 0.00 H new ATOM 380 N VAL A 25 -0.956 11.502 5.597 1.00 0.00 N ATOM 381 CA VAL A 25 -0.604 12.250 4.394 1.00 0.00 C ATOM 382 C VAL A 25 0.061 13.572 4.769 1.00 0.00 C ATOM 383 O VAL A 25 0.055 13.966 5.934 1.00 0.00 O ATOM 384 CB VAL A 25 -1.815 12.448 3.467 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.696 11.202 3.424 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.678 13.652 3.855 1.00 0.00 C ATOM 0 H VAL A 25 -1.493 12.037 6.279 1.00 0.00 H new ATOM 0 HA VAL A 25 0.118 11.663 3.826 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.394 12.637 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.542 11.377 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.114 10.357 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.062 10.980 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.516 13.737 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.057 13.517 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.077 14.560 3.811 1.00 0.00 H new ATOM 396 N SER A 26 0.628 14.254 3.772 1.00 0.00 N ATOM 397 CA SER A 26 1.383 15.488 3.950 1.00 0.00 C ATOM 398 C SER A 26 1.148 16.386 2.746 1.00 0.00 C ATOM 399 O SER A 26 2.089 16.911 2.153 1.00 0.00 O ATOM 400 CB SER A 26 2.867 15.154 4.072 1.00 0.00 C ATOM 401 OG SER A 26 3.166 14.746 5.390 1.00 0.00 O ATOM 0 H SER A 26 0.572 13.954 2.799 1.00 0.00 H new ATOM 0 HA SER A 26 1.058 16.003 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.128 14.362 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.467 16.025 3.808 1.00 0.00 H new ATOM 0 HG SER A 26 2.338 14.498 5.851 1.00 0.00 H new ATOM 407 N GLY A 27 -0.119 16.561 2.382 1.00 0.00 N ATOM 408 CA GLY A 27 -0.484 17.229 1.149 1.00 0.00 C ATOM 409 C GLY A 27 -0.951 16.159 0.172 1.00 0.00 C ATOM 410 O GLY A 27 -1.595 15.193 0.578 1.00 0.00 O ATOM 0 H GLY A 27 -0.915 16.243 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.275 17.958 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.367 17.775 0.742 1.00 0.00 H new ATOM 414 N GLN A 28 -0.635 16.314 -1.114 1.00 0.00 N ATOM 415 CA GLN A 28 -1.022 15.327 -2.110 1.00 0.00 C ATOM 416 C GLN A 28 -0.012 14.177 -2.171 1.00 0.00 C ATOM 417 O GLN A 28 -0.138 13.272 -3.001 1.00 0.00 O ATOM 418 CB GLN A 28 -1.254 16.031 -3.451 1.00 0.00 C ATOM 419 CG GLN A 28 -2.377 15.352 -4.235 1.00 0.00 C ATOM 420 CD GLN A 28 -3.645 15.153 -3.399 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.335 14.153 -3.558 1.00 0.00 O ATOM 422 NE2 GLN A 28 -3.963 16.084 -2.502 1.00 0.00 N ATOM 0 H GLN A 28 -0.115 17.110 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.964 14.856 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.506 17.077 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.335 16.017 -4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.616 15.952 -5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.029 14.384 -4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.371 16.907 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.798 15.974 -1.927 1.00 0.00 H new ATOM 431 N GLN A 29 0.994 14.218 -1.285 1.00 0.00 N ATOM 432 CA GLN A 29 1.851 13.073 -1.039 1.00 0.00 C ATOM 433 C GLN A 29 1.195 12.234 0.052 1.00 0.00 C ATOM 434 O GLN A 29 0.311 12.710 0.763 1.00 0.00 O ATOM 435 CB GLN A 29 3.274 13.477 -0.624 1.00 0.00 C ATOM 436 CG GLN A 29 3.373 14.051 0.787 1.00 0.00 C ATOM 437 CD GLN A 29 4.809 14.473 1.080 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.413 15.221 0.313 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.375 13.998 2.186 1.00 0.00 N ATOM 0 H GLN A 29 1.226 15.041 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 29 1.958 12.505 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.923 12.604 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.652 14.215 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.706 14.907 0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.048 13.307 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.849 13.379 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.335 14.252 2.417 1.00 0.00 H new ATOM 448 N VAL A 30 1.625 10.985 0.190 1.00 0.00 N ATOM 449 CA VAL A 30 1.046 10.049 1.135 1.00 0.00 C ATOM 450 C VAL A 30 2.185 9.281 1.791 1.00 0.00 C ATOM 451 O VAL A 30 3.200 9.013 1.152 1.00 0.00 O ATOM 452 CB VAL A 30 0.080 9.126 0.383 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.544 8.096 1.319 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.064 9.943 -0.215 1.00 0.00 C ATOM 0 H VAL A 30 2.392 10.594 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 30 0.478 10.555 1.916 1.00 0.00 H new ATOM 0 HB VAL A 30 0.656 8.623 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.224 7.457 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.242 7.486 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.097 8.608 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.745 9.279 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.603 10.452 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.660 10.681 -0.908 1.00 0.00 H new ATOM 464 N ARG A 31 2.007 8.929 3.066 1.00 0.00 N ATOM 465 CA ARG A 31 3.026 8.257 3.856 1.00 0.00 C ATOM 466 C ARG A 31 2.483 6.903 4.280 1.00 0.00 C ATOM 467 O ARG A 31 1.458 6.809 4.954 1.00 0.00 O ATOM 468 CB ARG A 31 3.384 9.136 5.050 1.00 0.00 C ATOM 469 CG ARG A 31 4.510 8.535 5.886 1.00 0.00 C ATOM 470 CD ARG A 31 4.894 9.563 6.944 1.00 0.00 C ATOM 471 NE ARG A 31 5.942 9.059 7.835 1.00 0.00 N ATOM 472 CZ ARG A 31 6.571 9.814 8.743 1.00 0.00 C ATOM 473 NH1 ARG A 31 6.311 11.118 8.848 1.00 0.00 N ATOM 474 NH2 ARG A 31 7.465 9.268 9.558 1.00 0.00 N ATOM 0 H ARG A 31 1.143 9.106 3.578 1.00 0.00 H new ATOM 0 HA ARG A 31 3.938 8.094 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.682 10.123 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.502 9.274 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.186 7.606 6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.367 8.293 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.238 10.475 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.014 9.828 7.530 1.00 0.00 H new ATOM 0 HE ARG A 31 6.207 8.077 7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.625 11.552 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.799 11.681 9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.673 8.272 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.944 9.845 10.250 1.00 0.00 H new ATOM 488 N ILE A 32 3.193 5.858 3.868 1.00 0.00 N ATOM 489 CA ILE A 32 2.721 4.488 3.981 1.00 0.00 C ATOM 490 C ILE A 32 3.815 3.631 4.595 1.00 0.00 C ATOM 491 O ILE A 32 4.997 3.827 4.312 1.00 0.00 O ATOM 492 CB ILE A 32 2.348 3.970 2.581 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.355 4.919 1.898 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.753 2.562 2.685 1.00 0.00 C ATOM 495 CD1 ILE A 32 1.036 4.491 0.462 1.00 0.00 C ATOM 0 H ILE A 32 4.117 5.941 3.444 1.00 0.00 H new ATOM 0 HA ILE A 32 1.840 4.442 4.621 1.00 0.00 H new ATOM 0 HB ILE A 32 3.252 3.929 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.433 4.955 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.766 5.928 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.492 2.203 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.485 1.890 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.858 2.590 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.329 5.194 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.953 4.481 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.599 3.493 0.469 1.00 0.00 H new ATOM 507 N GLY A 33 3.411 2.680 5.434 1.00 0.00 N ATOM 508 CA GLY A 33 4.332 1.758 6.075 1.00 0.00 C ATOM 509 C GLY A 33 4.049 0.347 5.600 1.00 0.00 C ATOM 510 O GLY A 33 2.961 0.050 5.106 1.00 0.00 O ATOM 0 H GLY A 33 2.434 2.531 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.360 2.033 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.226 1.816 7.158 1.00 0.00 H new ATOM 514 N ILE A 34 5.042 -0.525 5.754 1.00 0.00 N ATOM 515 CA ILE A 34 4.990 -1.897 5.296 1.00 0.00 C ATOM 516 C ILE A 34 5.525 -2.765 6.423 1.00 0.00 C ATOM 517 O ILE A 34 6.396 -2.340 7.183 1.00 0.00 O ATOM 518 CB ILE A 34 5.823 -2.045 4.015 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.321 -1.056 2.958 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.746 -3.476 3.478 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.145 -1.116 1.672 1.00 0.00 C ATOM 0 H ILE A 34 5.921 -0.285 6.212 1.00 0.00 H new ATOM 0 HA ILE A 34 3.973 -2.203 5.052 1.00 0.00 H new ATOM 0 HB ILE A 34 6.865 -1.826 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.277 -1.271 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.357 -0.045 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.344 -3.557 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.130 -4.167 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.709 -3.725 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.751 -0.397 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.184 -0.874 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.088 -2.119 1.250 1.00 0.00 H new ATOM 533 N ASN A 35 5.001 -3.979 6.531 1.00 0.00 N ATOM 534 CA ASN A 35 5.332 -4.872 7.619 1.00 0.00 C ATOM 535 C ASN A 35 5.482 -6.283 7.067 1.00 0.00 C ATOM 536 O ASN A 35 4.514 -7.036 6.978 1.00 0.00 O ATOM 537 CB ASN A 35 4.240 -4.782 8.687 1.00 0.00 C ATOM 538 CG ASN A 35 4.587 -5.591 9.932 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.693 -6.107 10.069 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.635 -5.707 10.853 1.00 0.00 N ATOM 0 H ASN A 35 4.335 -4.367 5.863 1.00 0.00 H new ATOM 0 HA ASN A 35 6.276 -4.592 8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.089 -3.739 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.298 -5.141 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.812 -6.238 11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.727 -5.265 10.707 1.00 0.00 H new ATOM 547 N ALA A 36 6.714 -6.626 6.692 1.00 0.00 N ATOM 548 CA ALA A 36 7.040 -7.904 6.085 1.00 0.00 C ATOM 549 C ALA A 36 8.390 -8.422 6.583 1.00 0.00 C ATOM 550 O ALA A 36 9.226 -7.638 7.035 1.00 0.00 O ATOM 551 CB ALA A 36 7.094 -7.721 4.570 1.00 0.00 C ATOM 0 H ALA A 36 7.520 -6.012 6.805 1.00 0.00 H new ATOM 0 HA ALA A 36 6.276 -8.632 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.338 -8.672 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.125 -7.375 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.858 -6.985 4.319 1.00 0.00 H new ATOM 557 N PRO A 37 8.608 -9.739 6.495 1.00 0.00 N ATOM 558 CA PRO A 37 9.887 -10.363 6.771 1.00 0.00 C ATOM 559 C PRO A 37 10.918 -10.022 5.708 1.00 0.00 C ATOM 560 O PRO A 37 10.576 -9.660 4.583 1.00 0.00 O ATOM 561 CB PRO A 37 9.600 -11.866 6.741 1.00 0.00 C ATOM 562 CG PRO A 37 8.374 -12.006 5.845 1.00 0.00 C ATOM 563 CD PRO A 37 7.607 -10.718 6.116 1.00 0.00 C ATOM 0 HA PRO A 37 10.296 -10.021 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.448 -12.424 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.406 -12.253 7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.650 -12.099 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.786 -12.888 6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.059 -10.395 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.875 -10.858 6.911 1.00 0.00 H new ATOM 571 N LYS A 38 12.203 -10.136 6.065 1.00 0.00 N ATOM 572 CA LYS A 38 13.284 -9.979 5.103 1.00 0.00 C ATOM 573 C LYS A 38 13.258 -11.122 4.085 1.00 0.00 C ATOM 574 O LYS A 38 14.035 -11.115 3.130 1.00 0.00 O ATOM 575 CB LYS A 38 14.625 -9.934 5.832 1.00 0.00 C ATOM 576 CG LYS A 38 14.784 -8.673 6.691 1.00 0.00 C ATOM 577 CD LYS A 38 14.588 -7.404 5.865 1.00 0.00 C ATOM 578 CE LYS A 38 15.238 -6.213 6.561 1.00 0.00 C ATOM 579 NZ LYS A 38 16.712 -6.260 6.491 1.00 0.00 N ATOM 0 H LYS A 38 12.513 -10.337 7.016 1.00 0.00 H new ATOM 0 HA LYS A 38 13.149 -9.041 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.720 -10.816 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.433 -9.977 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.060 -8.693 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.775 -8.663 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.023 -7.536 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.524 -7.215 5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.884 -5.290 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.926 -6.191 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.099 -5.312 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.072 -6.926 7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.005 -6.574 5.544 1.00 0.00 H new ATOM 593 N ASP A 39 12.370 -12.096 4.286 1.00 0.00 N ATOM 594 CA ASP A 39 12.130 -13.181 3.344 1.00 0.00 C ATOM 595 C ASP A 39 11.517 -12.647 2.048 1.00 0.00 C ATOM 596 O ASP A 39 11.379 -13.389 1.077 1.00 0.00 O ATOM 597 CB ASP A 39 11.177 -14.185 3.987 1.00 0.00 C ATOM 598 CG ASP A 39 11.890 -15.024 5.048 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.521 -16.031 4.658 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.794 -14.652 6.239 1.00 0.00 O ATOM 0 H ASP A 39 11.789 -12.151 5.123 1.00 0.00 H new ATOM 0 HA ASP A 39 13.078 -13.661 3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.339 -13.656 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.763 -14.840 3.220 1.00 0.00 H new ATOM 605 N VAL A 40 11.152 -11.359 2.035 1.00 0.00 N ATOM 606 CA VAL A 40 10.573 -10.696 0.877 1.00 0.00 C ATOM 607 C VAL A 40 11.173 -9.299 0.757 1.00 0.00 C ATOM 608 O VAL A 40 11.731 -8.771 1.719 1.00 0.00 O ATOM 609 CB VAL A 40 9.041 -10.644 0.974 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.470 -12.037 1.258 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.576 -9.718 2.087 1.00 0.00 C ATOM 0 H VAL A 40 11.255 -10.746 2.844 1.00 0.00 H new ATOM 0 HA VAL A 40 10.810 -11.265 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 40 8.683 -10.269 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.384 -11.979 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.749 -12.716 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.870 -12.409 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.487 -9.710 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.967 -10.071 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.941 -8.709 1.897 1.00 0.00 H new ATOM 621 N ALA A 41 11.060 -8.695 -0.426 1.00 0.00 N ATOM 622 CA ALA A 41 11.654 -7.393 -0.681 1.00 0.00 C ATOM 623 C ALA A 41 10.566 -6.343 -0.870 1.00 0.00 C ATOM 624 O ALA A 41 9.503 -6.649 -1.403 1.00 0.00 O ATOM 625 CB ALA A 41 12.518 -7.502 -1.939 1.00 0.00 C ATOM 0 H ALA A 41 10.560 -9.092 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 41 12.267 -7.087 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.975 -6.536 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.299 -8.246 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.896 -7.802 -2.782 1.00 0.00 H new ATOM 631 N VAL A 42 10.830 -5.107 -0.436 1.00 0.00 N ATOM 632 CA VAL A 42 9.883 -4.012 -0.615 1.00 0.00 C ATOM 633 C VAL A 42 10.640 -2.716 -0.886 1.00 0.00 C ATOM 634 O VAL A 42 11.519 -2.343 -0.114 1.00 0.00 O ATOM 635 CB VAL A 42 8.970 -3.871 0.613 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.140 -5.137 0.824 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.741 -3.619 1.911 1.00 0.00 C ATOM 0 H VAL A 42 11.692 -4.844 0.041 1.00 0.00 H new ATOM 0 HA VAL A 42 9.247 -4.232 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 42 8.337 -3.009 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.502 -5.012 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.520 -5.316 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.805 -5.987 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.039 -3.529 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.419 -4.451 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.315 -2.697 1.820 1.00 0.00 H new ATOM 647 N HIS A 43 10.311 -2.029 -1.983 1.00 0.00 N ATOM 648 CA HIS A 43 10.974 -0.778 -2.331 1.00 0.00 C ATOM 649 C HIS A 43 10.094 0.067 -3.244 1.00 0.00 C ATOM 650 O HIS A 43 9.117 -0.430 -3.804 1.00 0.00 O ATOM 651 CB HIS A 43 12.294 -1.046 -3.067 1.00 0.00 C ATOM 652 CG HIS A 43 13.112 -2.203 -2.556 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.210 -2.095 -1.700 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.909 -3.518 -2.860 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.640 -3.350 -1.505 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.879 -4.221 -2.188 1.00 0.00 N ATOM 0 H HIS A 43 9.590 -2.321 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 43 11.165 -0.247 -1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.071 -1.221 -4.119 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.905 -0.145 -3.016 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.603 -1.240 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.140 -3.924 -3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.481 -3.623 -0.885 1.00 0.00 H new ATOM 664 N ARG A 44 10.444 1.348 -3.395 1.00 0.00 N ATOM 665 CA ARG A 44 9.817 2.202 -4.397 1.00 0.00 C ATOM 666 C ARG A 44 10.337 1.797 -5.771 1.00 0.00 C ATOM 667 O ARG A 44 11.375 1.143 -5.863 1.00 0.00 O ATOM 668 CB ARG A 44 10.144 3.673 -4.138 1.00 0.00 C ATOM 669 CG ARG A 44 9.663 4.131 -2.763 1.00 0.00 C ATOM 670 CD ARG A 44 9.752 5.655 -2.636 1.00 0.00 C ATOM 671 NE ARG A 44 11.083 6.168 -2.988 1.00 0.00 N ATOM 672 CZ ARG A 44 12.190 5.974 -2.269 1.00 0.00 C ATOM 673 NH1 ARG A 44 12.148 5.274 -1.139 1.00 0.00 N ATOM 674 NH2 ARG A 44 13.347 6.480 -2.677 1.00 0.00 N ATOM 0 H ARG A 44 11.158 1.812 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 44 8.735 2.080 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.221 3.824 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.680 4.289 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.634 3.808 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.266 3.661 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.005 6.115 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.512 5.947 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 44 11.167 6.713 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.264 4.880 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.999 5.131 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.391 7.019 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.192 6.330 -2.126 1.00 0.00 H new ATOM 688 N GLU A 45 9.632 2.176 -6.838 1.00 0.00 N ATOM 689 CA GLU A 45 10.057 1.844 -8.194 1.00 0.00 C ATOM 690 C GLU A 45 11.496 2.287 -8.442 1.00 0.00 C ATOM 691 O GLU A 45 12.276 1.567 -9.064 1.00 0.00 O ATOM 692 CB GLU A 45 9.147 2.541 -9.205 1.00 0.00 C ATOM 693 CG GLU A 45 7.696 2.118 -9.018 1.00 0.00 C ATOM 694 CD GLU A 45 6.819 2.709 -10.117 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.429 3.890 -9.967 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.546 1.983 -11.102 1.00 0.00 O ATOM 0 H GLU A 45 8.766 2.712 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 45 9.994 0.762 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.232 3.622 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.472 2.301 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.624 1.031 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.338 2.448 -8.043 1.00 0.00 H new ATOM 703 N GLU A 46 11.850 3.476 -7.954 1.00 0.00 N ATOM 704 CA GLU A 46 13.173 4.055 -8.151 1.00 0.00 C ATOM 705 C GLU A 46 14.289 3.289 -7.435 1.00 0.00 C ATOM 706 O GLU A 46 15.460 3.606 -7.640 1.00 0.00 O ATOM 707 CB GLU A 46 13.186 5.533 -7.751 1.00 0.00 C ATOM 708 CG GLU A 46 12.710 5.763 -6.312 1.00 0.00 C ATOM 709 CD GLU A 46 11.246 6.205 -6.267 1.00 0.00 C ATOM 710 OE1 GLU A 46 10.401 5.503 -6.869 1.00 0.00 O ATOM 711 OE2 GLU A 46 10.978 7.242 -5.628 1.00 0.00 O ATOM 0 H GLU A 46 11.221 4.065 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 46 13.383 3.971 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.197 5.926 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.549 6.095 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.831 4.845 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.334 6.521 -5.838 1.00 0.00 H new ATOM 718 N ILE A 47 13.961 2.294 -6.605 1.00 0.00 N ATOM 719 CA ILE A 47 14.955 1.399 -6.023 1.00 0.00 C ATOM 720 C ILE A 47 14.787 0.023 -6.661 1.00 0.00 C ATOM 721 O ILE A 47 15.769 -0.666 -6.931 1.00 0.00 O ATOM 722 CB ILE A 47 14.785 1.296 -4.498 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.433 2.449 -3.731 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.455 0.027 -3.969 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.807 3.801 -4.048 1.00 0.00 C ATOM 0 H ILE A 47 13.003 2.090 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 47 15.953 1.792 -6.216 1.00 0.00 H new ATOM 0 HB ILE A 47 13.707 1.306 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.350 2.258 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.497 2.483 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.325 -0.030 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.000 -0.846 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.519 0.051 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.310 4.579 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.913 4.011 -5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.749 3.783 -3.786 1.00 0.00 H new ATOM 737 N TYR A 48 13.536 -0.372 -6.896 1.00 0.00 N ATOM 738 CA TYR A 48 13.191 -1.672 -7.441 1.00 0.00 C ATOM 739 C TYR A 48 13.821 -1.901 -8.816 1.00 0.00 C ATOM 740 O TYR A 48 14.146 -3.033 -9.170 1.00 0.00 O ATOM 741 CB TYR A 48 11.672 -1.735 -7.546 1.00 0.00 C ATOM 742 CG TYR A 48 11.162 -3.025 -8.127 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.968 -4.147 -7.309 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.883 -3.088 -9.498 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.498 -5.343 -7.865 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.422 -4.279 -10.062 1.00 0.00 C ATOM 747 CZ TYR A 48 10.220 -5.413 -9.248 1.00 0.00 C ATOM 748 OH TYR A 48 9.760 -6.576 -9.792 1.00 0.00 O ATOM 0 H TYR A 48 12.725 0.217 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 48 13.576 -2.453 -6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.242 -1.598 -6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.324 -0.906 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.181 -4.089 -6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.024 -2.216 -10.119 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.348 -6.210 -7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.220 -4.332 -11.122 1.00 0.00 H new ATOM 0 HH TYR A 48 9.618 -6.454 -10.754 1.00 0.00 H new ATOM 1605 N MET C 1 8.759 -2.087 10.663 1.00 0.00 N ATOM 1606 CA MET C 1 8.044 -1.312 9.636 1.00 0.00 C ATOM 1607 C MET C 1 9.028 -0.702 8.649 1.00 0.00 C ATOM 1608 O MET C 1 10.057 -0.175 9.055 1.00 0.00 O ATOM 1609 CB MET C 1 7.241 -0.195 10.300 1.00 0.00 C ATOM 1610 CG MET C 1 6.292 0.507 9.332 1.00 0.00 C ATOM 1611 SD MET C 1 4.708 -0.327 9.127 1.00 0.00 S ATOM 1612 CE MET C 1 4.037 0.149 10.737 1.00 0.00 C ATOM 0 H1 MET C 1 8.392 -1.838 11.604 1.00 0.00 H new ATOM 0 H2 MET C 1 8.616 -3.103 10.493 1.00 0.00 H new ATOM 0 H3 MET C 1 9.775 -1.868 10.618 1.00 0.00 H new ATOM 0 HA MET C 1 7.372 -1.983 9.100 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.667 -0.610 11.128 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.928 0.538 10.724 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.114 1.522 9.686 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.777 0.589 8.359 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.893 -0.742 11.349 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.733 0.823 11.236 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.080 0.652 10.598 1.00 0.00 H new ATOM 1624 N LEU C 2 8.711 -0.769 7.357 1.00 0.00 N ATOM 1625 CA LEU C 2 9.483 -0.117 6.319 1.00 0.00 C ATOM 1626 C LEU C 2 8.560 0.942 5.724 1.00 0.00 C ATOM 1627 O LEU C 2 7.449 0.628 5.311 1.00 0.00 O ATOM 1628 CB LEU C 2 9.963 -1.176 5.319 1.00 0.00 C ATOM 1629 CG LEU C 2 10.828 -0.642 4.172 1.00 0.00 C ATOM 1630 CD1 LEU C 2 9.967 -0.087 3.044 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.780 0.453 4.638 1.00 0.00 C ATOM 0 H LEU C 2 7.903 -1.283 7.006 1.00 0.00 H new ATOM 0 HA LEU C 2 10.389 0.373 6.676 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.531 -1.933 5.860 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.091 -1.674 4.895 1.00 0.00 H new ATOM 0 HG LEU C 2 11.410 -1.489 3.810 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.609 0.284 2.245 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.324 -0.876 2.655 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.352 0.729 3.424 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.374 0.803 3.793 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.206 1.284 5.047 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.442 0.056 5.407 1.00 0.00 H new ATOM 1643 N ILE C 3 9.009 2.196 5.682 1.00 0.00 N ATOM 1644 CA ILE C 3 8.131 3.323 5.396 1.00 0.00 C ATOM 1645 C ILE C 3 8.683 4.171 4.265 1.00 0.00 C ATOM 1646 O ILE C 3 9.888 4.384 4.173 1.00 0.00 O ATOM 1647 CB ILE C 3 8.019 4.163 6.665 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.522 3.284 7.813 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.077 5.353 6.470 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.705 3.990 9.144 1.00 0.00 C ATOM 0 H ILE C 3 9.982 2.455 5.844 1.00 0.00 H new ATOM 0 HA ILE C 3 7.153 2.955 5.086 1.00 0.00 H new ATOM 0 HB ILE C 3 9.007 4.559 6.902 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.469 3.043 7.665 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.067 2.340 7.818 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.022 5.929 7.394 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.454 5.988 5.669 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.083 4.991 6.208 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.345 3.349 9.949 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.762 4.208 9.298 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.139 4.922 9.142 1.00 0.00 H new ATOM 1662 N LEU C 4 7.781 4.651 3.406 1.00 0.00 N ATOM 1663 CA LEU C 4 8.145 5.420 2.231 1.00 0.00 C ATOM 1664 C LEU C 4 7.040 6.417 1.903 1.00 0.00 C ATOM 1665 O LEU C 4 5.908 6.267 2.363 1.00 0.00 O ATOM 1666 CB LEU C 4 8.408 4.495 1.023 1.00 0.00 C ATOM 1667 CG LEU C 4 8.846 3.062 1.377 1.00 0.00 C ATOM 1668 CD1 LEU C 4 7.630 2.166 1.624 1.00 0.00 C ATOM 1669 CD2 LEU C 4 9.651 2.452 0.234 1.00 0.00 C ATOM 0 H LEU C 4 6.776 4.513 3.513 1.00 0.00 H new ATOM 0 HA LEU C 4 9.066 5.963 2.445 1.00 0.00 H new ATOM 0 HB2 LEU C 4 7.500 4.442 0.422 1.00 0.00 H new ATOM 0 HB3 LEU C 4 9.178 4.949 0.399 1.00 0.00 H new ATOM 0 HG LEU C 4 9.454 3.122 2.280 1.00 0.00 H new ATOM 0 HD11 LEU C 4 7.965 1.159 1.872 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.044 2.568 2.451 1.00 0.00 H new ATOM 0 HD13 LEU C 4 7.014 2.132 0.725 1.00 0.00 H new ATOM 0 HD21 LEU C 4 9.952 1.439 0.501 1.00 0.00 H new ATOM 0 HD22 LEU C 4 9.038 2.422 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.538 3.058 0.050 1.00 0.00 H new ATOM 1681 N THR C 5 7.367 7.438 1.106 1.00 0.00 N ATOM 1682 CA THR C 5 6.376 8.402 0.644 1.00 0.00 C ATOM 1683 C THR C 5 6.178 8.279 -0.858 1.00 0.00 C ATOM 1684 O THR C 5 7.093 7.914 -1.598 1.00 0.00 O ATOM 1685 CB THR C 5 6.773 9.847 0.965 1.00 0.00 C ATOM 1686 OG1 THR C 5 8.174 9.977 0.990 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.197 10.331 2.296 1.00 0.00 C ATOM 0 H THR C 5 8.313 7.615 0.769 1.00 0.00 H new ATOM 0 HA THR C 5 5.451 8.172 1.172 1.00 0.00 H new ATOM 0 HB THR C 5 6.354 10.469 0.174 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.413 10.905 1.194 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.509 11.360 2.475 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.109 10.282 2.261 1.00 0.00 H new ATOM 0 HG23 THR C 5 6.562 9.696 3.103 1.00 0.00 H new ATOM 1695 N ARG C 6 4.955 8.598 -1.283 1.00 0.00 N ATOM 1696 CA ARG C 6 4.522 8.606 -2.669 1.00 0.00 C ATOM 1697 C ARG C 6 3.545 9.747 -2.845 1.00 0.00 C ATOM 1698 O ARG C 6 3.258 10.472 -1.897 1.00 0.00 O ATOM 1699 CB ARG C 6 3.837 7.279 -3.018 1.00 0.00 C ATOM 1700 CG ARG C 6 4.776 6.078 -3.111 1.00 0.00 C ATOM 1701 CD ARG C 6 5.360 5.875 -4.508 1.00 0.00 C ATOM 1702 NE ARG C 6 6.231 6.977 -4.937 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.403 6.815 -5.552 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.813 5.610 -5.934 1.00 0.00 N ATOM 1705 NH2 ARG C 6 8.172 7.867 -5.796 1.00 0.00 N ATOM 0 H ARG C 6 4.212 8.868 -0.638 1.00 0.00 H new ATOM 0 HA ARG C 6 5.380 8.732 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.076 7.070 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.320 7.393 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG C 6 5.591 6.207 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.235 5.179 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.927 4.944 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG C 6 4.545 5.765 -5.223 1.00 0.00 H new ATOM 0 HE ARG C 6 5.918 7.930 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG C 6 7.229 4.793 -5.758 1.00 0.00 H new ATOM 0 HH12 ARG C 6 8.712 5.502 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG C 6 7.867 8.798 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG C 6 9.069 7.745 -6.266 1.00 0.00 H new ATOM 1719 N LYS C 7 3.034 9.902 -4.060 1.00 0.00 N ATOM 1720 CA LYS C 7 2.067 10.931 -4.384 1.00 0.00 C ATOM 1721 C LYS C 7 0.991 10.303 -5.245 1.00 0.00 C ATOM 1722 O LYS C 7 1.219 9.244 -5.821 1.00 0.00 O ATOM 1723 CB LYS C 7 2.751 12.070 -5.127 1.00 0.00 C ATOM 1724 CG LYS C 7 3.906 12.661 -4.324 1.00 0.00 C ATOM 1725 CD LYS C 7 4.379 13.938 -5.009 1.00 0.00 C ATOM 1726 CE LYS C 7 3.469 15.113 -4.656 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.001 16.369 -5.205 1.00 0.00 N ATOM 0 H LYS C 7 3.284 9.309 -4.852 1.00 0.00 H new ATOM 0 HA LYS C 7 1.624 11.341 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.123 11.707 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.022 12.851 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.586 12.876 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.724 11.944 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.402 14.161 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS C 7 4.391 13.793 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS C 7 2.468 14.934 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.377 15.195 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 3.367 17.154 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.947 16.547 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.066 16.295 -6.240 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.174 10.941 -5.342 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.250 10.286 -6.080 1.00 0.00 C ATOM 1743 C VAL C 8 -0.841 10.009 -7.524 1.00 0.00 C ATOM 1744 O VAL C 8 -0.499 10.917 -8.280 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.582 11.023 -5.970 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.916 11.170 -4.487 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.618 12.393 -6.633 1.00 0.00 C ATOM 0 H VAL C 8 -0.391 11.855 -4.945 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.420 9.320 -5.605 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.316 10.425 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.865 11.694 -4.378 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.993 10.183 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.129 11.738 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.605 12.836 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.867 13.038 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.408 12.288 -7.697 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.880 8.725 -7.887 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.525 8.249 -9.215 1.00 0.00 C ATOM 1759 C GLY C 9 0.785 7.453 -9.234 1.00 0.00 C ATOM 1760 O GLY C 9 1.076 6.776 -10.221 1.00 0.00 O ATOM 0 H GLY C 9 -1.164 7.979 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.330 7.622 -9.598 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.436 9.101 -9.889 1.00 0.00 H new ATOM 1764 N GLU C 10 1.577 7.517 -8.157 1.00 0.00 N ATOM 1765 CA GLU C 10 2.844 6.801 -8.074 1.00 0.00 C ATOM 1766 C GLU C 10 2.640 5.374 -7.549 1.00 0.00 C ATOM 1767 O GLU C 10 1.524 4.999 -7.184 1.00 0.00 O ATOM 1768 CB GLU C 10 3.821 7.571 -7.182 1.00 0.00 C ATOM 1769 CG GLU C 10 4.072 8.989 -7.701 1.00 0.00 C ATOM 1770 CD GLU C 10 5.225 9.658 -6.956 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.307 9.468 -5.722 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.023 10.352 -7.623 1.00 0.00 O ATOM 0 H GLU C 10 1.354 8.065 -7.326 1.00 0.00 H new ATOM 0 HA GLU C 10 3.264 6.727 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.425 7.621 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.766 7.031 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.297 8.954 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.167 9.586 -7.586 1.00 0.00 H new ATOM 1779 N SER C 11 3.715 4.577 -7.508 1.00 0.00 N ATOM 1780 CA SER C 11 3.629 3.168 -7.133 1.00 0.00 C ATOM 1781 C SER C 11 4.818 2.691 -6.300 1.00 0.00 C ATOM 1782 O SER C 11 5.826 3.381 -6.158 1.00 0.00 O ATOM 1783 CB SER C 11 3.539 2.321 -8.402 1.00 0.00 C ATOM 1784 OG SER C 11 2.364 2.628 -9.124 1.00 0.00 O ATOM 0 H SER C 11 4.659 4.891 -7.732 1.00 0.00 H new ATOM 0 HA SER C 11 2.739 3.056 -6.513 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.414 2.500 -9.028 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.545 1.263 -8.140 1.00 0.00 H new ATOM 0 HG SER C 11 2.324 2.077 -9.934 1.00 0.00 H new ATOM 1790 N ILE C 12 4.668 1.482 -5.743 1.00 0.00 N ATOM 1791 CA ILE C 12 5.623 0.809 -4.868 1.00 0.00 C ATOM 1792 C ILE C 12 5.618 -0.677 -5.238 1.00 0.00 C ATOM 1793 O ILE C 12 4.691 -1.142 -5.896 1.00 0.00 O ATOM 1794 CB ILE C 12 5.224 1.034 -3.400 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.227 2.540 -3.105 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.153 0.290 -2.431 1.00 0.00 C ATOM 1797 CD1 ILE C 12 5.104 2.844 -1.614 1.00 0.00 C ATOM 0 H ILE C 12 3.831 0.922 -5.902 1.00 0.00 H new ATOM 0 HA ILE C 12 6.630 1.208 -4.993 1.00 0.00 H new ATOM 0 HB ILE C 12 4.223 0.630 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE C 12 6.148 2.980 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.402 3.013 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.834 0.477 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.110 -0.780 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.175 0.644 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE C 12 5.111 3.923 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE C 12 4.170 2.430 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE C 12 5.943 2.396 -1.081 1.00 0.00 H new ATOM 1809 N ASN C 13 6.638 -1.434 -4.824 1.00 0.00 N ATOM 1810 CA ASN C 13 6.762 -2.831 -5.218 1.00 0.00 C ATOM 1811 C ASN C 13 6.980 -3.741 -4.011 1.00 0.00 C ATOM 1812 O ASN C 13 7.509 -3.312 -2.983 1.00 0.00 O ATOM 1813 CB ASN C 13 7.919 -2.971 -6.204 1.00 0.00 C ATOM 1814 CG ASN C 13 7.687 -2.155 -7.469 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.223 -1.059 -7.610 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.887 -2.679 -8.392 1.00 0.00 N ATOM 0 H ASN C 13 7.386 -1.099 -4.217 1.00 0.00 H new ATOM 0 HA ASN C 13 5.831 -3.141 -5.692 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.844 -2.647 -5.727 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.047 -4.021 -6.467 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.700 -2.168 -9.254 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.460 -3.593 -8.238 1.00 0.00 H new ATOM 1823 N ILE C 14 6.569 -5.009 -4.156 1.00 0.00 N ATOM 1824 CA ILE C 14 6.691 -6.033 -3.126 1.00 0.00 C ATOM 1825 C ILE C 14 7.014 -7.372 -3.786 1.00 0.00 C ATOM 1826 O ILE C 14 6.400 -7.737 -4.790 1.00 0.00 O ATOM 1827 CB ILE C 14 5.372 -6.156 -2.340 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.990 -4.811 -1.706 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.505 -7.245 -1.268 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.691 -4.894 -0.901 1.00 0.00 C ATOM 0 H ILE C 14 6.134 -5.351 -5.013 1.00 0.00 H new ATOM 0 HA ILE C 14 7.489 -5.755 -2.438 1.00 0.00 H new ATOM 0 HB ILE C 14 4.576 -6.438 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.797 -4.477 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.882 -4.061 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.569 -7.328 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.730 -8.199 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.310 -6.983 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.465 -3.917 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.876 -5.201 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.806 -5.623 -0.099 1.00 0.00 H new ATOM 1842 N GLY C 15 7.981 -8.101 -3.226 1.00 0.00 N ATOM 1843 CA GLY C 15 8.404 -9.386 -3.761 1.00 0.00 C ATOM 1844 C GLY C 15 8.750 -9.264 -5.243 1.00 0.00 C ATOM 1845 O GLY C 15 9.291 -8.249 -5.683 1.00 0.00 O ATOM 0 H GLY C 15 8.489 -7.813 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.271 -9.748 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.610 -10.121 -3.627 1.00 0.00 H new ATOM 1849 N ASP C 16 8.440 -10.309 -6.011 1.00 0.00 N ATOM 1850 CA ASP C 16 8.657 -10.340 -7.447 1.00 0.00 C ATOM 1851 C ASP C 16 7.357 -10.655 -8.185 1.00 0.00 C ATOM 1852 O ASP C 16 7.378 -11.005 -9.365 1.00 0.00 O ATOM 1853 CB ASP C 16 9.784 -11.318 -7.786 1.00 0.00 C ATOM 1854 CG ASP C 16 9.438 -12.765 -7.433 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.314 -13.054 -6.223 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.304 -13.570 -8.382 1.00 0.00 O ATOM 0 H ASP C 16 8.026 -11.166 -5.643 1.00 0.00 H new ATOM 0 HA ASP C 16 8.973 -9.354 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP C 16 10.008 -11.252 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.687 -11.024 -7.251 1.00 0.00 H new ATOM 1861 N ASP C 17 6.219 -10.531 -7.492 1.00 0.00 N ATOM 1862 CA ASP C 17 4.905 -10.829 -8.046 1.00 0.00 C ATOM 1863 C ASP C 17 3.859 -9.782 -7.659 1.00 0.00 C ATOM 1864 O ASP C 17 2.701 -9.932 -8.040 1.00 0.00 O ATOM 1865 CB ASP C 17 4.435 -12.207 -7.570 1.00 0.00 C ATOM 1866 CG ASP C 17 5.355 -13.329 -8.031 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.340 -13.624 -9.249 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.066 -13.884 -7.161 1.00 0.00 O ATOM 0 H ASP C 17 6.191 -10.217 -6.522 1.00 0.00 H new ATOM 0 HA ASP C 17 5.007 -10.817 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.379 -12.212 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.427 -12.392 -7.942 1.00 0.00 H new ATOM 1873 N ILE C 18 4.224 -8.724 -6.919 1.00 0.00 N ATOM 1874 CA ILE C 18 3.235 -7.751 -6.472 1.00 0.00 C ATOM 1875 C ILE C 18 3.716 -6.319 -6.686 1.00 0.00 C ATOM 1876 O ILE C 18 4.908 -6.025 -6.614 1.00 0.00 O ATOM 1877 CB ILE C 18 2.897 -7.969 -4.987 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.431 -9.404 -4.702 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.795 -7.008 -4.535 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.604 -10.249 -4.194 1.00 0.00 C ATOM 0 H ILE C 18 5.181 -8.528 -6.625 1.00 0.00 H new ATOM 0 HA ILE C 18 2.338 -7.901 -7.073 1.00 0.00 H new ATOM 0 HB ILE C 18 3.817 -7.780 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.632 -9.394 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.019 -9.847 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.572 -7.180 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.130 -5.980 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.897 -7.179 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.262 -11.265 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.390 -10.272 -4.949 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.996 -9.812 -3.276 1.00 0.00 H new ATOM 1892 N THR C 19 2.761 -5.427 -6.950 1.00 0.00 N ATOM 1893 CA THR C 19 2.986 -3.995 -7.083 1.00 0.00 C ATOM 1894 C THR C 19 1.819 -3.277 -6.406 1.00 0.00 C ATOM 1895 O THR C 19 0.727 -3.830 -6.299 1.00 0.00 O ATOM 1896 CB THR C 19 3.105 -3.634 -8.567 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.230 -4.292 -9.113 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.275 -2.136 -8.800 1.00 0.00 C ATOM 0 H THR C 19 1.785 -5.692 -7.080 1.00 0.00 H new ATOM 0 HA THR C 19 3.915 -3.687 -6.603 1.00 0.00 H new ATOM 0 HB THR C 19 2.178 -3.948 -9.047 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.312 -4.067 -10.063 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.354 -1.941 -9.869 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.413 -1.605 -8.397 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.180 -1.790 -8.300 1.00 0.00 H new ATOM 1906 N ILE C 20 2.060 -2.044 -5.955 1.00 0.00 N ATOM 1907 CA ILE C 20 1.094 -1.264 -5.198 1.00 0.00 C ATOM 1908 C ILE C 20 1.037 0.131 -5.800 1.00 0.00 C ATOM 1909 O ILE C 20 2.039 0.617 -6.323 1.00 0.00 O ATOM 1910 CB ILE C 20 1.535 -1.195 -3.727 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.708 -2.586 -3.104 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.534 -0.383 -2.901 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.390 -3.350 -2.978 1.00 0.00 C ATOM 0 H ILE C 20 2.944 -1.559 -6.110 1.00 0.00 H new ATOM 0 HA ILE C 20 0.107 -1.724 -5.242 1.00 0.00 H new ATOM 0 HB ILE C 20 2.506 -0.701 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.402 -3.167 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.158 -2.483 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.864 -0.346 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.472 0.630 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.448 -0.854 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.577 -4.326 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.298 -2.787 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.050 -3.482 -3.966 1.00 0.00 H new ATOM 1925 N THR C 21 -0.126 0.778 -5.733 1.00 0.00 N ATOM 1926 CA THR C 21 -0.313 2.098 -6.319 1.00 0.00 C ATOM 1927 C THR C 21 -1.237 2.930 -5.437 1.00 0.00 C ATOM 1928 O THR C 21 -2.124 2.395 -4.777 1.00 0.00 O ATOM 1929 CB THR C 21 -0.916 1.939 -7.721 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.155 1.024 -8.480 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.961 3.259 -8.485 1.00 0.00 C ATOM 0 H THR C 21 -0.956 0.403 -5.274 1.00 0.00 H new ATOM 0 HA THR C 21 0.647 2.610 -6.393 1.00 0.00 H new ATOM 0 HB THR C 21 -1.935 1.577 -7.580 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.690 1.443 -8.746 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.396 3.094 -9.471 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.570 3.977 -7.935 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.050 3.650 -8.595 1.00 0.00 H new ATOM 1939 N ILE C 22 -1.030 4.249 -5.431 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.839 5.203 -4.688 1.00 0.00 C ATOM 1941 C ILE C 22 -2.685 5.952 -5.707 1.00 0.00 C ATOM 1942 O ILE C 22 -2.275 6.983 -6.237 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.923 6.093 -3.826 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.614 7.350 -3.289 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.317 6.548 -4.593 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.921 7.023 -2.578 1.00 0.00 C ATOM 0 H ILE C 22 -0.275 4.688 -5.958 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.518 4.730 -3.979 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.647 5.454 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.945 7.865 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.811 8.035 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.935 7.173 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.889 5.676 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.013 7.120 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.377 7.943 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.601 6.532 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.721 6.359 -1.737 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.884 5.428 -5.989 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.693 5.938 -7.087 1.00 0.00 C ATOM 1960 C LEU C 23 -5.171 7.360 -6.794 1.00 0.00 C ATOM 1961 O LEU C 23 -5.451 8.117 -7.724 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.890 5.025 -7.384 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.636 3.534 -7.153 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.918 2.766 -7.448 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.543 2.985 -8.060 1.00 0.00 C ATOM 0 H LEU C 23 -4.307 4.657 -5.473 1.00 0.00 H new ATOM 0 HA LEU C 23 -4.060 5.956 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.729 5.336 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.191 5.171 -8.421 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.317 3.413 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.750 1.701 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.711 3.112 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.213 2.934 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.401 1.924 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.833 3.120 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.611 3.518 -7.871 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.270 7.731 -5.511 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.639 9.091 -5.140 1.00 0.00 C ATOM 1979 C GLY C 24 -6.151 9.191 -3.710 1.00 0.00 C ATOM 1980 O GLY C 24 -6.115 8.217 -2.961 1.00 0.00 O ATOM 0 H GLY C 24 -5.100 7.108 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.774 9.743 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.407 9.454 -5.823 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.636 10.377 -3.333 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.232 10.593 -2.020 1.00 0.00 C ATOM 1986 C VAL C 25 -8.574 11.308 -2.178 1.00 0.00 C ATOM 1987 O VAL C 25 -8.910 11.783 -3.263 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.278 11.350 -1.073 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.816 10.946 -1.270 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.371 12.866 -1.225 1.00 0.00 C ATOM 0 H VAL C 25 -6.625 11.206 -3.927 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.411 9.624 -1.554 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.606 11.067 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.187 11.508 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.704 9.879 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.514 11.163 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.677 13.344 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.115 13.146 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.387 13.192 -1.003 1.00 0.00 H new ATOM 2000 N SER C 26 -9.340 11.381 -1.089 1.00 0.00 N ATOM 2001 CA SER C 26 -10.663 11.994 -1.062 1.00 0.00 C ATOM 2002 C SER C 26 -10.853 12.643 0.302 1.00 0.00 C ATOM 2003 O SER C 26 -11.869 12.451 0.965 1.00 0.00 O ATOM 2004 CB SER C 26 -11.729 10.930 -1.323 1.00 0.00 C ATOM 2005 OG SER C 26 -11.994 10.830 -2.707 1.00 0.00 O ATOM 0 H SER C 26 -9.050 11.008 -0.185 1.00 0.00 H new ATOM 0 HA SER C 26 -10.756 12.753 -1.839 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.392 9.967 -0.940 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.644 11.184 -0.788 1.00 0.00 H new ATOM 0 HG SER C 26 -11.196 11.091 -3.213 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.856 13.420 0.719 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.786 13.974 2.052 1.00 0.00 C ATOM 2013 C GLY C 27 -8.724 13.206 2.823 1.00 0.00 C ATOM 2014 O GLY C 27 -7.702 12.815 2.257 1.00 0.00 O ATOM 0 H GLY C 27 -9.068 13.681 0.126 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.536 15.034 2.012 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.752 13.893 2.550 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.959 12.976 4.112 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.070 12.135 4.896 1.00 0.00 C ATOM 2020 C GLN C 28 -8.251 10.661 4.528 1.00 0.00 C ATOM 2021 O GLN C 28 -7.427 9.831 4.917 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.312 12.378 6.385 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.222 13.290 6.955 1.00 0.00 C ATOM 2024 CD GLN C 28 -7.148 14.618 6.211 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -6.279 14.700 5.204 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.866 15.557 6.541 1.00 0.00 N flip ATOM 0 H GLN C 28 -9.751 13.358 4.629 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.037 12.398 4.670 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.291 12.833 6.532 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.318 11.428 6.920 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.419 13.476 8.011 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.258 12.785 6.895 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -8.518 15.452 7.318 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -7.811 16.443 6.038 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.312 10.318 3.784 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.440 8.978 3.238 1.00 0.00 C ATOM 2037 C GLN C 29 -8.571 8.872 1.985 1.00 0.00 C ATOM 2038 O GLN C 29 -8.272 9.875 1.342 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.897 8.599 2.963 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.577 9.485 1.927 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.878 8.848 1.443 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.089 8.702 0.246 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.762 8.465 2.359 1.00 0.00 N ATOM 0 H GLN C 29 -10.080 10.948 3.554 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.089 8.259 3.978 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.936 7.564 2.624 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.458 8.650 3.896 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.784 10.464 2.358 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.908 9.644 1.082 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.560 8.599 3.350 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.642 8.037 2.071 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.166 7.649 1.647 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.196 7.388 0.597 1.00 0.00 C ATOM 2054 C VAL C 30 -7.607 6.146 -0.181 1.00 0.00 C ATOM 2055 O VAL C 30 -8.223 5.239 0.379 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.816 7.186 1.248 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.744 6.913 0.199 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.395 8.420 2.042 1.00 0.00 C ATOM 0 H VAL C 30 -8.510 6.804 2.103 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.151 8.227 -0.097 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.909 6.328 1.914 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.781 6.775 0.690 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -5.000 6.011 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.683 7.758 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.417 8.248 2.490 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.342 9.281 1.376 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.125 8.614 2.828 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.267 6.103 -1.472 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.561 4.968 -2.330 1.00 0.00 C ATOM 2070 C ARG C 31 -6.282 4.423 -2.937 1.00 0.00 C ATOM 2071 O ARG C 31 -5.452 5.152 -3.482 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.558 5.354 -3.414 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.945 5.432 -2.782 1.00 0.00 C ATOM 2074 CD ARG C 31 -11.019 5.451 -3.864 1.00 0.00 C ATOM 2075 NE ARG C 31 -12.294 5.905 -3.300 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.582 7.193 -3.082 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.727 8.146 -3.438 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.726 7.539 -2.505 1.00 0.00 N ATOM 0 H ARG C 31 -6.778 6.862 -1.947 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.015 4.184 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -8.287 6.313 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.548 4.619 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -10.100 4.579 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -10.022 6.329 -2.168 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.716 6.111 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.135 4.454 -4.290 1.00 0.00 H new ATOM 0 HE ARG C 31 -12.996 5.204 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.843 7.898 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.955 9.125 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -14.393 6.821 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.938 8.523 -2.342 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.160 3.102 -2.818 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.936 2.372 -3.084 1.00 0.00 C ATOM 2094 C ILE C 32 -5.281 1.153 -3.919 1.00 0.00 C ATOM 2095 O ILE C 32 -6.334 0.546 -3.733 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.324 1.953 -1.734 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.094 3.184 -0.844 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.009 1.196 -1.943 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.634 2.801 0.562 1.00 0.00 C ATOM 0 H ILE C 32 -6.931 2.502 -2.527 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.216 2.983 -3.628 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.027 1.286 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.347 3.830 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.017 3.760 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.596 0.911 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.195 0.301 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.299 1.837 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.484 3.704 1.154 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.392 2.178 1.036 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.697 2.248 0.500 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.390 0.797 -4.844 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.594 -0.337 -5.720 1.00 0.00 C ATOM 2113 C GLY C 33 -3.460 -1.331 -5.543 1.00 0.00 C ATOM 2114 O GLY C 33 -2.377 -0.989 -5.064 1.00 0.00 O ATOM 0 H GLY C 33 -3.511 1.291 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.548 -0.815 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.640 -0.004 -6.757 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.724 -2.574 -5.933 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.801 -3.679 -5.790 1.00 0.00 C ATOM 2120 C ILE C 34 -2.800 -4.443 -7.099 1.00 0.00 C ATOM 2121 O ILE C 34 -3.816 -4.513 -7.787 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.238 -4.563 -4.614 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.346 -3.723 -3.334 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.234 -5.701 -4.415 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -3.951 -4.522 -2.176 1.00 0.00 C ATOM 0 H ILE C 34 -4.608 -2.840 -6.367 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.790 -3.332 -5.575 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.216 -4.990 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.356 -3.365 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -3.960 -2.843 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.551 -6.324 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.186 -6.306 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.249 -5.284 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.010 -3.890 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -4.951 -4.858 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.323 -5.387 -1.964 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.654 -5.019 -7.440 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.467 -5.699 -8.705 1.00 0.00 C ATOM 2139 C ASN C 35 -0.686 -6.982 -8.452 1.00 0.00 C ATOM 2140 O ASN C 35 0.543 -6.980 -8.460 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.748 -4.765 -9.675 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.625 -5.368 -11.069 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.197 -6.417 -11.361 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.125 -4.703 -11.941 1.00 0.00 N ATOM 0 H ASN C 35 -0.828 -5.025 -6.841 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.422 -5.966 -9.157 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.289 -3.821 -9.736 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.246 -4.539 -9.290 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.242 -5.060 -12.889 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.584 -3.836 -11.662 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.419 -8.072 -8.230 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.843 -9.365 -7.906 1.00 0.00 C ATOM 2153 C ALA C 36 -1.628 -10.492 -8.577 1.00 0.00 C ATOM 2154 O ALA C 36 -2.798 -10.318 -8.916 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.890 -9.546 -6.389 1.00 0.00 C ATOM 0 H ALA C 36 -2.438 -8.077 -8.272 1.00 0.00 H new ATOM 0 HA ALA C 36 0.185 -9.403 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.461 -10.513 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.317 -8.752 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.925 -9.503 -6.049 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.986 -11.650 -8.768 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.630 -12.861 -9.243 1.00 0.00 C ATOM 2163 C PRO C 37 -2.594 -13.414 -8.206 1.00 0.00 C ATOM 2164 O PRO C 37 -2.512 -13.084 -7.024 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.486 -13.853 -9.467 1.00 0.00 C ATOM 2166 CG PRO C 37 0.637 -13.365 -8.552 1.00 0.00 C ATOM 2167 CD PRO C 37 0.431 -11.861 -8.533 1.00 0.00 C ATOM 0 HA PRO C 37 -2.212 -12.675 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.788 -14.869 -9.215 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.170 -13.864 -10.510 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.560 -13.796 -7.554 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.620 -13.633 -8.940 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.735 -11.437 -7.576 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.031 -11.375 -9.302 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.521 -14.266 -8.653 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.407 -14.983 -7.749 1.00 0.00 C ATOM 2177 C LYS C 38 -3.618 -15.995 -6.921 1.00 0.00 C ATOM 2178 O LYS C 38 -4.185 -16.690 -6.081 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.522 -15.666 -8.541 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.419 -14.653 -9.262 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.009 -13.641 -8.284 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.141 -12.867 -8.950 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.331 -13.708 -9.148 1.00 0.00 N ATOM 0 H LYS C 38 -3.673 -14.472 -9.640 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.864 -14.272 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.083 -16.346 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.128 -16.271 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.842 -14.131 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.224 -15.178 -9.776 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.382 -14.155 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.234 -12.951 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.403 -12.005 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.802 -12.483 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.164 -13.102 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.193 -14.314 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.479 -14.303 -8.308 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.307 -16.066 -7.167 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.371 -16.869 -6.411 1.00 0.00 C ATOM 2199 C ASP C 39 -1.230 -16.341 -4.985 1.00 0.00 C ATOM 2200 O ASP C 39 -0.634 -17.001 -4.134 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.020 -16.800 -7.120 1.00 0.00 C ATOM 2202 CG ASP C 39 0.888 -17.966 -6.726 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.460 -19.123 -6.936 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.998 -17.695 -6.218 1.00 0.00 O ATOM 0 H ASP C 39 -1.864 -15.546 -7.924 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.729 -17.897 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.175 -16.808 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.471 -15.858 -6.876 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.789 -15.151 -4.721 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.719 -14.506 -3.420 1.00 0.00 C ATOM 2211 C VAL C 40 -3.060 -13.860 -3.075 1.00 0.00 C ATOM 2212 O VAL C 40 -3.880 -13.604 -3.954 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.592 -13.457 -3.396 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.706 -14.024 -3.983 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.959 -12.207 -4.196 1.00 0.00 C ATOM 0 H VAL C 40 -2.305 -14.612 -5.417 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.496 -15.264 -2.669 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.449 -13.192 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.483 -13.260 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.023 -14.888 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.536 -14.328 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.137 -11.493 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.147 -12.482 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.855 -11.754 -3.772 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.277 -13.601 -1.782 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.509 -13.007 -1.299 1.00 0.00 C ATOM 2227 C ALA C 41 -4.269 -11.543 -0.950 1.00 0.00 C ATOM 2228 O ALA C 41 -3.216 -11.205 -0.415 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.959 -13.782 -0.061 1.00 0.00 C ATOM 0 H ALA C 41 -2.598 -13.800 -1.047 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.282 -13.055 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.885 -13.352 0.320 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.125 -14.826 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.188 -13.721 0.707 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.240 -10.672 -1.247 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.135 -9.259 -0.895 1.00 0.00 C ATOM 2237 C VAL C 42 -6.506 -8.728 -0.484 1.00 0.00 C ATOM 2238 O VAL C 42 -7.479 -8.849 -1.225 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.543 -8.442 -2.056 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.112 -8.887 -2.357 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.343 -8.569 -3.351 1.00 0.00 C ATOM 0 H VAL C 42 -6.103 -10.924 -1.729 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.454 -9.156 -0.050 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.575 -7.404 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.713 -8.296 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.492 -8.741 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.109 -9.942 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -4.872 -7.969 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.367 -9.613 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.361 -8.216 -3.186 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.579 -8.135 0.712 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.821 -7.584 1.231 1.00 0.00 C ATOM 2253 C HIS C 43 -7.520 -6.506 2.262 1.00 0.00 C ATOM 2254 O HIS C 43 -6.382 -6.377 2.706 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.658 -8.675 1.918 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.627 -10.033 1.264 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.586 -10.512 0.372 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.667 -10.987 1.451 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.175 -11.747 0.031 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.031 -12.057 0.666 1.00 0.00 N ATOM 0 H HIS C 43 -5.781 -8.027 1.339 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.376 -7.168 0.391 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.311 -8.779 2.946 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.694 -8.338 1.964 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.423 -10.028 0.047 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.797 -10.916 2.087 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.692 -12.399 -0.657 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.536 -5.730 2.650 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.391 -4.806 3.766 1.00 0.00 C ATOM 2270 C ARG C 44 -8.581 -5.579 5.066 1.00 0.00 C ATOM 2271 O ARG C 44 -9.144 -6.672 5.058 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.371 -3.634 3.643 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.836 -4.073 3.709 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.733 -2.838 3.611 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.149 -3.182 3.782 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.925 -3.695 2.826 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.445 -3.950 1.612 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.199 -3.955 3.095 1.00 0.00 N ATOM 0 H ARG C 44 -9.456 -5.726 2.210 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.392 -4.370 3.759 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.175 -2.918 4.441 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.194 -3.117 2.700 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.058 -4.765 2.896 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.028 -4.604 4.641 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.440 -2.114 4.371 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.589 -2.359 2.642 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.570 -3.017 4.696 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -12.467 -3.753 1.398 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.055 -4.342 0.895 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.574 -3.762 4.024 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.803 -4.347 2.373 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.111 -5.016 6.183 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.205 -5.660 7.488 1.00 0.00 C ATOM 2294 C GLU C 45 -9.614 -6.184 7.772 1.00 0.00 C ATOM 2295 O GLU C 45 -9.765 -7.219 8.418 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.803 -4.656 8.570 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.285 -4.631 8.755 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.772 -5.878 9.488 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.609 -6.598 10.081 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.539 -6.098 9.447 1.00 0.00 O ATOM 0 H GLU C 45 -7.656 -4.103 6.204 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.531 -6.517 7.490 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.157 -3.661 8.298 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.284 -4.919 9.512 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -5.803 -4.560 7.780 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.003 -3.740 9.316 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.650 -5.491 7.300 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.014 -5.891 7.600 1.00 0.00 C ATOM 2309 C GLU C 46 -12.369 -7.246 6.981 1.00 0.00 C ATOM 2310 O GLU C 46 -13.171 -7.977 7.560 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.963 -4.796 7.106 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.416 -5.081 7.488 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.323 -3.938 7.052 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -15.259 -3.574 5.856 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -16.072 -3.431 7.914 1.00 0.00 O ATOM 0 H GLU C 46 -10.567 -4.659 6.715 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.115 -6.013 8.678 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.659 -3.837 7.526 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -12.883 -4.709 6.022 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -14.744 -6.010 7.022 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.493 -5.221 8.566 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.794 -7.592 5.823 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.038 -8.890 5.201 1.00 0.00 C ATOM 2324 C ILE C 47 -10.994 -9.882 5.701 1.00 0.00 C ATOM 2325 O ILE C 47 -11.306 -11.048 5.938 1.00 0.00 O ATOM 2326 CB ILE C 47 -11.954 -8.772 3.673 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.248 -8.243 3.056 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.695 -10.140 3.035 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.644 -6.879 3.608 1.00 0.00 C ATOM 0 H ILE C 47 -11.158 -6.989 5.302 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.036 -9.237 5.467 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.138 -8.077 3.478 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.129 -8.173 1.975 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.053 -8.954 3.243 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.639 -10.032 1.952 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.754 -10.543 3.408 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.508 -10.820 3.290 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.570 -6.550 3.136 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.792 -6.952 4.685 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.854 -6.158 3.398 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.753 -9.416 5.858 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.634 -10.258 6.238 1.00 0.00 C ATOM 2343 C TYR C 48 -8.877 -10.965 7.567 1.00 0.00 C ATOM 2344 O TYR C 48 -8.412 -12.087 7.778 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.394 -9.375 6.335 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.160 -10.143 6.731 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.416 -10.836 5.764 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.767 -10.163 8.078 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.269 -11.550 6.143 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.630 -10.879 8.467 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.867 -11.567 7.496 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.748 -12.255 7.864 1.00 0.00 O ATOM 0 H TYR C 48 -9.502 -8.437 5.722 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.503 -11.035 5.485 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.222 -8.891 5.374 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.573 -8.584 7.063 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.726 -10.820 4.729 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.343 -9.625 8.816 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.695 -12.085 5.401 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.336 -10.906 9.506 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.611 -12.164 8.830 1.00 0.00 H new