USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 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 13 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.9!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.2 USER MOD Set 2.2: C 21 THR OG1 : rot -69:sc= 0.208 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.53 K(o=-0.53,f=-1.3) 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 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.0455) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0179 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0.762) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.25) USER MOD Single : A 29 GLN : amide:sc= -0.977 X(o=-0.98,f=-0.73) USER MOD Single : A 35 ASN : amide:sc= -0.227 K(o=-0.23,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 172:sc= -0.0457 (180deg=-0.125) USER MOD Single : C 1 MET N :NH3+ 140:sc= 0.0183 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= -0.114 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 5:sc= 0.201 USER MOD Single : C 28 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.66) USER MOD Single : C 29 GLN : amide:sc= -0.651 K(o=-0.65,f=-1.3) USER MOD Single : C 35 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.7!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.4) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.252 10.221 -2.186 1.00 0.00 N ATOM 2 CA MET A 1 6.780 10.209 -2.246 1.00 0.00 C ATOM 3 C MET A 1 6.315 9.810 -3.640 1.00 0.00 C ATOM 4 O MET A 1 6.875 10.283 -4.621 1.00 0.00 O ATOM 5 CB MET A 1 6.217 11.588 -1.882 1.00 0.00 C ATOM 6 CG MET A 1 4.688 11.606 -1.918 1.00 0.00 C ATOM 7 SD MET A 1 3.900 10.564 -0.665 1.00 0.00 S ATOM 8 CE MET A 1 2.184 10.825 -1.165 1.00 0.00 C ATOM 0 H1 MET A 1 8.568 10.997 -1.569 1.00 0.00 H new ATOM 0 H2 MET A 1 8.591 9.315 -1.804 1.00 0.00 H new ATOM 0 H3 MET A 1 8.637 10.360 -3.142 1.00 0.00 H new ATOM 0 HA MET A 1 6.411 9.479 -1.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.560 11.869 -0.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.606 12.334 -2.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.345 12.633 -1.788 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.356 11.282 -2.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.519 10.523 -0.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.027 11.880 -1.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.969 10.230 -2.053 1.00 0.00 H new ATOM 20 N LEU A 2 5.302 8.945 -3.735 1.00 0.00 N ATOM 21 CA LEU A 2 4.729 8.560 -5.014 1.00 0.00 C ATOM 22 C LEU A 2 3.210 8.560 -4.910 1.00 0.00 C ATOM 23 O LEU A 2 2.655 8.361 -3.828 1.00 0.00 O ATOM 24 CB LEU A 2 5.215 7.163 -5.401 1.00 0.00 C ATOM 25 CG LEU A 2 6.295 7.183 -6.480 1.00 0.00 C ATOM 26 CD1 LEU A 2 6.742 5.756 -6.760 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.787 7.782 -7.788 1.00 0.00 C ATOM 0 H LEU A 2 4.863 8.498 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 2 5.042 9.272 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.604 6.662 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.368 6.575 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 2 7.116 7.798 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.514 5.761 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.143 5.315 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.890 5.169 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.589 7.776 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.949 7.191 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.460 8.807 -7.616 1.00 0.00 H new ATOM 39 N ILE A 3 2.537 8.786 -6.038 1.00 0.00 N ATOM 40 CA ILE A 3 1.084 8.772 -6.121 1.00 0.00 C ATOM 41 C ILE A 3 0.695 7.990 -7.367 1.00 0.00 C ATOM 42 O ILE A 3 1.414 8.005 -8.365 1.00 0.00 O ATOM 43 CB ILE A 3 0.527 10.207 -6.151 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.774 10.937 -4.830 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.985 10.210 -6.363 1.00 0.00 C ATOM 46 CD1 ILE A 3 2.137 11.625 -4.784 1.00 0.00 C ATOM 0 H ILE A 3 2.994 8.986 -6.928 1.00 0.00 H new ATOM 0 HA ILE A 3 0.655 8.291 -5.242 1.00 0.00 H new ATOM 0 HB ILE A 3 1.042 10.706 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.009 11.680 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.702 10.226 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.348 11.238 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.220 9.727 -7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.467 9.668 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.259 12.127 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.924 10.881 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.202 12.358 -5.588 1.00 0.00 H new ATOM 58 N LEU A 4 -0.447 7.305 -7.304 1.00 0.00 N ATOM 59 CA LEU A 4 -0.946 6.463 -8.380 1.00 0.00 C ATOM 60 C LEU A 4 -2.466 6.532 -8.403 1.00 0.00 C ATOM 61 O LEU A 4 -3.081 7.006 -7.446 1.00 0.00 O ATOM 62 CB LEU A 4 -0.511 5.010 -8.135 1.00 0.00 C ATOM 63 CG LEU A 4 1.007 4.794 -8.195 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.304 3.351 -7.787 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.553 5.015 -9.606 1.00 0.00 C ATOM 0 H LEU A 4 -1.058 7.323 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.545 6.809 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.874 4.693 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.988 4.369 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 4 1.483 5.510 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.379 3.177 -7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.942 3.178 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.803 2.668 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.631 4.853 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.079 4.314 -10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.339 6.036 -9.923 1.00 0.00 H new ATOM 77 N THR A 5 -3.075 6.061 -9.494 1.00 0.00 N ATOM 78 CA THR A 5 -4.528 5.987 -9.590 1.00 0.00 C ATOM 79 C THR A 5 -4.914 4.656 -10.226 1.00 0.00 C ATOM 80 O THR A 5 -5.107 4.560 -11.437 1.00 0.00 O ATOM 81 CB THR A 5 -5.104 7.185 -10.357 1.00 0.00 C ATOM 82 OG1 THR A 5 -4.363 8.361 -10.109 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.532 7.430 -9.887 1.00 0.00 C ATOM 0 H THR A 5 -2.581 5.726 -10.321 1.00 0.00 H new ATOM 0 HA THR A 5 -4.960 6.036 -8.591 1.00 0.00 H new ATOM 0 HB THR A 5 -5.064 6.954 -11.422 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.753 9.106 -10.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.952 8.280 -10.426 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.136 6.543 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.532 7.642 -8.818 1.00 0.00 H new ATOM 91 N ARG A 6 -5.028 3.625 -9.391 1.00 0.00 N ATOM 92 CA ARG A 6 -5.259 2.243 -9.793 1.00 0.00 C ATOM 93 C ARG A 6 -6.744 1.914 -9.621 1.00 0.00 C ATOM 94 O ARG A 6 -7.428 2.652 -8.920 1.00 0.00 O ATOM 95 CB ARG A 6 -4.400 1.381 -8.853 1.00 0.00 C ATOM 96 CG ARG A 6 -3.982 0.019 -9.402 1.00 0.00 C ATOM 97 CD ARG A 6 -2.936 0.131 -10.517 1.00 0.00 C ATOM 98 NE ARG A 6 -3.564 0.443 -11.804 1.00 0.00 N ATOM 99 CZ ARG A 6 -2.994 1.117 -12.808 1.00 0.00 C ATOM 100 NH1 ARG A 6 -1.746 1.569 -12.709 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.686 1.338 -13.922 1.00 0.00 N ATOM 0 H ARG A 6 -4.959 3.735 -8.379 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.995 2.063 -10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.500 1.941 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.953 1.225 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.580 -0.588 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.861 -0.501 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.213 0.907 -10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.384 -0.805 -10.596 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.520 0.117 -11.946 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.209 1.403 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.326 2.081 -13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.643 0.994 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.260 1.851 -14.694 1.00 0.00 H new ATOM 115 N LYS A 7 -7.270 0.845 -10.229 1.00 0.00 N ATOM 116 CA LYS A 7 -8.664 0.463 -9.983 1.00 0.00 C ATOM 117 C LYS A 7 -8.781 -0.948 -9.426 1.00 0.00 C ATOM 118 O LYS A 7 -7.808 -1.700 -9.364 1.00 0.00 O ATOM 119 CB LYS A 7 -9.573 0.624 -11.205 1.00 0.00 C ATOM 120 CG LYS A 7 -9.147 -0.220 -12.402 1.00 0.00 C ATOM 121 CD LYS A 7 -10.370 -0.379 -13.309 1.00 0.00 C ATOM 122 CE LYS A 7 -10.022 -1.054 -14.629 1.00 0.00 C ATOM 123 NZ LYS A 7 -9.339 -2.345 -14.433 1.00 0.00 N ATOM 0 H LYS A 7 -6.766 0.242 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.016 1.168 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.592 0.355 -10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.589 1.673 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.330 0.262 -12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.783 -1.194 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.130 -0.965 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.803 0.601 -13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.934 -1.211 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.384 -0.393 -15.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.436 -2.923 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.331 -2.179 -14.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.767 -2.846 -13.628 1.00 0.00 H new ATOM 137 N VAL A 8 -10.000 -1.300 -9.019 1.00 0.00 N ATOM 138 CA VAL A 8 -10.253 -2.551 -8.325 1.00 0.00 C ATOM 139 C VAL A 8 -9.852 -3.757 -9.164 1.00 0.00 C ATOM 140 O VAL A 8 -10.156 -3.837 -10.356 1.00 0.00 O ATOM 141 CB VAL A 8 -11.710 -2.616 -7.860 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.056 -1.341 -7.090 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.716 -2.760 -8.992 1.00 0.00 C ATOM 0 H VAL A 8 -10.831 -0.727 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.623 -2.584 -7.436 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.783 -3.508 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.093 -1.386 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.402 -1.251 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.920 -0.476 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.724 -2.799 -8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.632 -1.906 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.514 -3.678 -9.544 1.00 0.00 H new ATOM 153 N GLY A 9 -9.158 -4.700 -8.519 1.00 0.00 N ATOM 154 CA GLY A 9 -8.731 -5.940 -9.149 1.00 0.00 C ATOM 155 C GLY A 9 -7.293 -5.859 -9.657 1.00 0.00 C ATOM 156 O GLY A 9 -6.779 -6.839 -10.196 1.00 0.00 O ATOM 0 H GLY A 9 -8.879 -4.618 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.817 -6.758 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.397 -6.172 -9.980 1.00 0.00 H new ATOM 160 N GLU A 10 -6.640 -4.702 -9.489 1.00 0.00 N ATOM 161 CA GLU A 10 -5.274 -4.494 -9.949 1.00 0.00 C ATOM 162 C GLU A 10 -4.307 -4.509 -8.761 1.00 0.00 C ATOM 163 O GLU A 10 -4.733 -4.696 -7.619 1.00 0.00 O ATOM 164 CB GLU A 10 -5.213 -3.179 -10.728 1.00 0.00 C ATOM 165 CG GLU A 10 -6.154 -3.245 -11.937 1.00 0.00 C ATOM 166 CD GLU A 10 -6.222 -1.930 -12.710 1.00 0.00 C ATOM 167 OE1 GLU A 10 -5.910 -0.877 -12.113 1.00 0.00 O ATOM 168 OE2 GLU A 10 -6.590 -1.993 -13.904 1.00 0.00 O ATOM 0 H GLU A 10 -7.049 -3.888 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.969 -5.302 -10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.496 -2.349 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.192 -2.990 -11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.821 -4.038 -12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.155 -3.513 -11.598 1.00 0.00 H new ATOM 175 N SER A 11 -3.008 -4.308 -9.013 1.00 0.00 N ATOM 176 CA SER A 11 -1.992 -4.431 -7.976 1.00 0.00 C ATOM 177 C SER A 11 -0.858 -3.420 -8.138 1.00 0.00 C ATOM 178 O SER A 11 -0.734 -2.757 -9.168 1.00 0.00 O ATOM 179 CB SER A 11 -1.406 -5.845 -8.009 1.00 0.00 C ATOM 180 OG SER A 11 -2.418 -6.805 -7.769 1.00 0.00 O ATOM 0 H SER A 11 -2.641 -4.059 -9.931 1.00 0.00 H new ATOM 0 HA SER A 11 -2.478 -4.229 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.942 -6.031 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.622 -5.938 -7.257 1.00 0.00 H new ATOM 0 HG SER A 11 -2.029 -7.704 -7.795 1.00 0.00 H new ATOM 186 N ILE A 12 -0.028 -3.317 -7.093 1.00 0.00 N ATOM 187 CA ILE A 12 1.121 -2.420 -6.991 1.00 0.00 C ATOM 188 C ILE A 12 2.202 -3.165 -6.197 1.00 0.00 C ATOM 189 O ILE A 12 1.905 -4.188 -5.579 1.00 0.00 O ATOM 190 CB ILE A 12 0.691 -1.113 -6.285 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.567 -0.524 -6.947 1.00 0.00 C ATOM 192 CG2 ILE A 12 1.826 -0.081 -6.289 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.062 0.735 -6.235 1.00 0.00 C ATOM 0 H ILE A 12 -0.149 -3.887 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 12 1.511 -2.144 -7.971 1.00 0.00 H new ATOM 0 HB ILE A 12 0.458 -1.358 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.350 -0.288 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.359 -1.273 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.494 0.827 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.691 -0.490 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.101 0.154 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.951 1.113 -6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.306 0.495 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.282 1.496 -6.257 1.00 0.00 H new ATOM 205 N ASN A 13 3.450 -2.691 -6.198 1.00 0.00 N ATOM 206 CA ASN A 13 4.537 -3.390 -5.520 1.00 0.00 C ATOM 207 C ASN A 13 5.500 -2.434 -4.826 1.00 0.00 C ATOM 208 O ASN A 13 5.597 -1.259 -5.177 1.00 0.00 O ATOM 209 CB ASN A 13 5.309 -4.243 -6.531 1.00 0.00 C ATOM 210 CG ASN A 13 4.482 -5.416 -7.036 1.00 0.00 C ATOM 211 OD1 ASN A 13 3.711 -5.284 -7.981 1.00 0.00 O ATOM 212 ND2 ASN A 13 4.643 -6.572 -6.404 1.00 0.00 N ATOM 0 H ASN A 13 3.730 -1.826 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 13 4.088 -4.020 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.610 -3.622 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.222 -4.616 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.115 -7.393 -6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.295 -6.639 -5.622 1.00 0.00 H new ATOM 219 N ILE A 14 6.216 -2.962 -3.828 1.00 0.00 N ATOM 220 CA ILE A 14 7.202 -2.230 -3.044 1.00 0.00 C ATOM 221 C ILE A 14 8.385 -3.155 -2.748 1.00 0.00 C ATOM 222 O ILE A 14 8.220 -4.372 -2.654 1.00 0.00 O ATOM 223 CB ILE A 14 6.571 -1.723 -1.734 1.00 0.00 C ATOM 224 CG1 ILE A 14 5.306 -0.907 -2.037 1.00 0.00 C ATOM 225 CG2 ILE A 14 7.575 -0.867 -0.952 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.632 -0.375 -0.769 1.00 0.00 C ATOM 0 H ILE A 14 6.119 -3.936 -3.540 1.00 0.00 H new ATOM 0 HA ILE A 14 7.551 -1.365 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 14 6.298 -2.584 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.565 -0.070 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.599 -1.529 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.113 -0.517 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.455 -1.465 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.872 -0.010 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.743 0.194 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.346 -1.211 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.326 0.271 -0.232 1.00 0.00 H new ATOM 238 N GLY A 15 9.582 -2.580 -2.596 1.00 0.00 N ATOM 239 CA GLY A 15 10.795 -3.336 -2.334 1.00 0.00 C ATOM 240 C GLY A 15 10.992 -4.431 -3.377 1.00 0.00 C ATOM 241 O GLY A 15 10.708 -4.237 -4.557 1.00 0.00 O ATOM 0 H GLY A 15 9.730 -1.572 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.654 -2.665 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.743 -3.780 -1.340 1.00 0.00 H new ATOM 245 N ASP A 16 11.481 -5.587 -2.926 1.00 0.00 N ATOM 246 CA ASP A 16 11.651 -6.769 -3.758 1.00 0.00 C ATOM 247 C ASP A 16 10.997 -7.977 -3.080 1.00 0.00 C ATOM 248 O ASP A 16 11.192 -9.114 -3.507 1.00 0.00 O ATOM 249 CB ASP A 16 13.135 -6.990 -4.079 1.00 0.00 C ATOM 250 CG ASP A 16 13.975 -7.322 -2.845 1.00 0.00 C ATOM 251 OD1 ASP A 16 13.997 -6.486 -1.912 1.00 0.00 O ATOM 252 OD2 ASP A 16 14.590 -8.409 -2.845 1.00 0.00 O ATOM 0 H ASP A 16 11.773 -5.726 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 16 11.148 -6.626 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.227 -7.801 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.535 -6.093 -4.553 1.00 0.00 H new ATOM 257 N ASP A 17 10.220 -7.724 -2.018 1.00 0.00 N ATOM 258 CA ASP A 17 9.531 -8.758 -1.252 1.00 0.00 C ATOM 259 C ASP A 17 8.137 -8.307 -0.811 1.00 0.00 C ATOM 260 O ASP A 17 7.532 -8.970 0.034 1.00 0.00 O ATOM 261 CB ASP A 17 10.359 -9.138 -0.019 1.00 0.00 C ATOM 262 CG ASP A 17 11.678 -9.811 -0.389 1.00 0.00 C ATOM 263 OD1 ASP A 17 11.622 -10.952 -0.903 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.733 -9.180 -0.153 1.00 0.00 O ATOM 0 H ASP A 17 10.054 -6.781 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 17 9.415 -9.624 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.563 -8.243 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.777 -9.808 0.614 1.00 0.00 H new ATOM 269 N ILE A 18 7.607 -7.201 -1.353 1.00 0.00 N ATOM 270 CA ILE A 18 6.296 -6.719 -0.941 1.00 0.00 C ATOM 271 C ILE A 18 5.398 -6.479 -2.155 1.00 0.00 C ATOM 272 O ILE A 18 5.866 -6.092 -3.228 1.00 0.00 O ATOM 273 CB ILE A 18 6.414 -5.445 -0.089 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.340 -5.621 1.121 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.033 -5.039 0.423 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.779 -5.242 0.774 1.00 0.00 C ATOM 0 H ILE A 18 8.065 -6.635 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 18 5.836 -7.491 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 18 6.841 -4.677 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.987 -5.002 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.306 -6.656 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.120 -4.136 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.373 -4.848 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.620 -5.843 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.412 -5.377 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.138 -5.879 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.814 -4.200 0.458 1.00 0.00 H new ATOM 288 N THR A 19 4.097 -6.712 -1.973 1.00 0.00 N ATOM 289 CA THR A 19 3.078 -6.507 -2.993 1.00 0.00 C ATOM 290 C THR A 19 1.838 -5.914 -2.338 1.00 0.00 C ATOM 291 O THR A 19 1.617 -6.087 -1.139 1.00 0.00 O ATOM 292 CB THR A 19 2.747 -7.849 -3.657 1.00 0.00 C ATOM 293 OG1 THR A 19 3.925 -8.438 -4.170 1.00 0.00 O ATOM 294 CG2 THR A 19 1.754 -7.686 -4.809 1.00 0.00 C ATOM 0 H THR A 19 3.718 -7.056 -1.091 1.00 0.00 H new ATOM 0 HA THR A 19 3.440 -5.820 -3.758 1.00 0.00 H new ATOM 0 HB THR A 19 2.299 -8.482 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.705 -9.295 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.547 -8.660 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.827 -7.254 -4.432 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.180 -7.027 -5.566 1.00 0.00 H new ATOM 302 N ILE A 20 1.029 -5.209 -3.133 1.00 0.00 N ATOM 303 CA ILE A 20 -0.190 -4.550 -2.686 1.00 0.00 C ATOM 304 C ILE A 20 -1.281 -4.840 -3.710 1.00 0.00 C ATOM 305 O ILE A 20 -0.994 -4.979 -4.896 1.00 0.00 O ATOM 306 CB ILE A 20 0.058 -3.038 -2.585 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.184 -2.693 -1.601 1.00 0.00 C ATOM 308 CG2 ILE A 20 -1.222 -2.292 -2.194 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.820 -2.999 -0.149 1.00 0.00 C ATOM 0 H ILE A 20 1.212 -5.081 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.494 -4.917 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 20 0.372 -2.712 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.080 -3.252 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.429 -1.635 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.015 -1.224 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.990 -2.469 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.572 -2.652 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.655 -2.734 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.058 -2.420 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.603 -4.062 -0.045 1.00 0.00 H new ATOM 321 N THR A 21 -2.532 -4.928 -3.253 1.00 0.00 N ATOM 322 CA THR A 21 -3.660 -5.209 -4.126 1.00 0.00 C ATOM 323 C THR A 21 -4.867 -4.388 -3.689 1.00 0.00 C ATOM 324 O THR A 21 -4.975 -4.010 -2.526 1.00 0.00 O ATOM 325 CB THR A 21 -3.970 -6.707 -4.071 1.00 0.00 C ATOM 326 OG1 THR A 21 -2.782 -7.447 -4.272 1.00 0.00 O ATOM 327 CG2 THR A 21 -4.972 -7.123 -5.146 1.00 0.00 C ATOM 0 H THR A 21 -2.785 -4.806 -2.272 1.00 0.00 H new ATOM 0 HA THR A 21 -3.417 -4.935 -5.153 1.00 0.00 H new ATOM 0 HB THR A 21 -4.400 -6.910 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.983 -8.405 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.163 -8.193 -5.071 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.905 -6.577 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.564 -6.896 -6.131 1.00 0.00 H new ATOM 335 N ILE A 22 -5.777 -4.112 -4.621 1.00 0.00 N ATOM 336 CA ILE A 22 -6.982 -3.332 -4.373 1.00 0.00 C ATOM 337 C ILE A 22 -8.193 -4.207 -4.683 1.00 0.00 C ATOM 338 O ILE A 22 -8.676 -4.236 -5.814 1.00 0.00 O ATOM 339 CB ILE A 22 -6.908 -2.018 -5.172 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.217 -1.225 -5.218 1.00 0.00 C ATOM 341 CG2 ILE A 22 -6.450 -2.238 -6.612 1.00 0.00 C ATOM 342 CD1 ILE A 22 -8.837 -1.063 -3.839 1.00 0.00 C ATOM 0 H ILE A 22 -5.694 -4.431 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.077 -3.033 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.173 -1.433 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.029 -0.241 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.924 -1.731 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.414 -1.281 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.458 -2.689 -6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.151 -2.901 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.763 -0.494 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.051 -2.046 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.142 -0.533 -3.188 1.00 0.00 H new ATOM 354 N LEU A 23 -8.696 -4.934 -3.679 1.00 0.00 N ATOM 355 CA LEU A 23 -9.750 -5.919 -3.899 1.00 0.00 C ATOM 356 C LEU A 23 -11.060 -5.263 -4.335 1.00 0.00 C ATOM 357 O LEU A 23 -11.853 -5.894 -5.029 1.00 0.00 O ATOM 358 CB LEU A 23 -10.003 -6.765 -2.642 1.00 0.00 C ATOM 359 CG LEU A 23 -8.756 -7.198 -1.868 1.00 0.00 C ATOM 360 CD1 LEU A 23 -9.167 -8.233 -0.822 1.00 0.00 C ATOM 361 CD2 LEU A 23 -7.671 -7.833 -2.736 1.00 0.00 C ATOM 0 H LEU A 23 -8.388 -4.856 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.399 -6.568 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.646 -6.198 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.555 -7.659 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.338 -6.291 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.289 -8.552 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.893 -7.792 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.613 -9.095 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.822 -8.111 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.070 -8.722 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.346 -7.119 -3.493 1.00 0.00 H new ATOM 373 N GLY A 24 -11.299 -4.005 -3.941 1.00 0.00 N ATOM 374 CA GLY A 24 -12.510 -3.303 -4.353 1.00 0.00 C ATOM 375 C GLY A 24 -12.848 -2.104 -3.469 1.00 0.00 C ATOM 376 O GLY A 24 -12.080 -1.752 -2.580 1.00 0.00 O ATOM 0 H GLY A 24 -10.675 -3.462 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.392 -2.964 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.347 -4.001 -4.341 1.00 0.00 H new ATOM 380 N VAL A 25 -14.004 -1.478 -3.718 1.00 0.00 N ATOM 381 CA VAL A 25 -14.460 -0.341 -2.918 1.00 0.00 C ATOM 382 C VAL A 25 -15.950 -0.447 -2.600 1.00 0.00 C ATOM 383 O VAL A 25 -16.681 -1.204 -3.237 1.00 0.00 O ATOM 384 CB VAL A 25 -14.182 0.997 -3.634 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.799 1.019 -4.282 1.00 0.00 C ATOM 386 CG2 VAL A 25 -15.245 1.308 -4.689 1.00 0.00 C ATOM 0 H VAL A 25 -14.641 -1.742 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.897 -0.365 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.218 1.767 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.644 1.979 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.036 0.877 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.729 0.217 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.013 2.258 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.258 0.516 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.223 1.372 -4.212 1.00 0.00 H new ATOM 396 N SER A 26 -16.396 0.325 -1.606 1.00 0.00 N ATOM 397 CA SER A 26 -17.800 0.465 -1.261 1.00 0.00 C ATOM 398 C SER A 26 -18.007 1.813 -0.579 1.00 0.00 C ATOM 399 O SER A 26 -17.535 2.020 0.540 1.00 0.00 O ATOM 400 CB SER A 26 -18.219 -0.670 -0.330 1.00 0.00 C ATOM 401 OG SER A 26 -19.602 -0.573 -0.050 1.00 0.00 O ATOM 0 H SER A 26 -15.776 0.877 -1.013 1.00 0.00 H new ATOM 0 HA SER A 26 -18.412 0.416 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.999 -1.632 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.647 -0.623 0.596 1.00 0.00 H new ATOM 0 HG SER A 26 -19.867 -1.304 0.546 1.00 0.00 H new ATOM 407 N GLY A 27 -18.707 2.735 -1.247 1.00 0.00 N ATOM 408 CA GLY A 27 -18.935 4.060 -0.692 1.00 0.00 C ATOM 409 C GLY A 27 -17.632 4.850 -0.649 1.00 0.00 C ATOM 410 O GLY A 27 -17.204 5.386 -1.669 1.00 0.00 O ATOM 0 H GLY A 27 -19.121 2.584 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.671 4.592 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.349 3.974 0.313 1.00 0.00 H new ATOM 414 N GLN A 28 -17.005 4.919 0.528 1.00 0.00 N ATOM 415 CA GLN A 28 -15.698 5.544 0.685 1.00 0.00 C ATOM 416 C GLN A 28 -14.681 4.514 1.158 1.00 0.00 C ATOM 417 O GLN A 28 -13.482 4.761 1.053 1.00 0.00 O ATOM 418 CB GLN A 28 -15.741 6.671 1.717 1.00 0.00 C ATOM 419 CG GLN A 28 -16.633 7.846 1.343 1.00 0.00 C ATOM 420 CD GLN A 28 -16.130 8.607 0.118 1.00 0.00 C ATOM 421 OE1 GLN A 28 -15.588 9.701 0.247 1.00 0.00 O ATOM 422 NE2 GLN A 28 -16.302 8.051 -1.081 1.00 0.00 N ATOM 0 H GLN A 28 -17.391 4.543 1.394 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.414 5.951 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.083 6.261 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.727 7.039 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.642 7.482 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.697 8.531 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.755 7.141 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.980 8.536 -1.919 1.00 0.00 H new ATOM 431 N GLN A 29 -15.141 3.373 1.675 1.00 0.00 N ATOM 432 CA GLN A 29 -14.218 2.342 2.104 1.00 0.00 C ATOM 433 C GLN A 29 -13.593 1.711 0.873 1.00 0.00 C ATOM 434 O GLN A 29 -14.215 1.621 -0.187 1.00 0.00 O ATOM 435 CB GLN A 29 -14.889 1.281 2.978 1.00 0.00 C ATOM 436 CG GLN A 29 -15.292 1.812 4.351 1.00 0.00 C ATOM 437 CD GLN A 29 -16.521 2.693 4.256 1.00 0.00 C ATOM 438 OE1 GLN A 29 -17.639 2.217 4.077 1.00 0.00 O ATOM 439 NE2 GLN A 29 -16.321 3.999 4.376 1.00 0.00 N ATOM 0 H GLN A 29 -16.128 3.150 1.802 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.449 2.802 2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.774 0.902 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.209 0.439 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.490 0.977 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.467 2.379 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.378 4.359 4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.110 4.643 4.320 1.00 0.00 H new ATOM 448 N VAL A 30 -12.348 1.277 1.034 1.00 0.00 N ATOM 449 CA VAL A 30 -11.536 0.697 -0.008 1.00 0.00 C ATOM 450 C VAL A 30 -10.895 -0.546 0.588 1.00 0.00 C ATOM 451 O VAL A 30 -10.116 -0.456 1.532 1.00 0.00 O ATOM 452 CB VAL A 30 -10.492 1.737 -0.432 1.00 0.00 C ATOM 453 CG1 VAL A 30 -9.559 1.197 -1.506 1.00 0.00 C ATOM 454 CG2 VAL A 30 -11.173 2.978 -1.000 1.00 0.00 C ATOM 0 H VAL A 30 -11.866 1.325 1.932 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.107 0.419 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.919 1.982 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.835 1.965 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.034 0.321 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.139 0.918 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.417 3.705 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.769 2.700 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.821 3.417 -0.241 1.00 0.00 H new ATOM 464 N ARG A 31 -11.230 -1.716 0.032 1.00 0.00 N ATOM 465 CA ARG A 31 -10.691 -2.986 0.485 1.00 0.00 C ATOM 466 C ARG A 31 -9.359 -3.218 -0.209 1.00 0.00 C ATOM 467 O ARG A 31 -9.290 -3.247 -1.436 1.00 0.00 O ATOM 468 CB ARG A 31 -11.675 -4.106 0.150 1.00 0.00 C ATOM 469 CG ARG A 31 -12.486 -4.496 1.385 1.00 0.00 C ATOM 470 CD ARG A 31 -11.601 -5.259 2.368 1.00 0.00 C ATOM 471 NE ARG A 31 -12.395 -5.937 3.395 1.00 0.00 N ATOM 472 CZ ARG A 31 -11.898 -6.431 4.531 1.00 0.00 C ATOM 473 NH1 ARG A 31 -10.600 -6.321 4.812 1.00 0.00 N ATOM 474 NH2 ARG A 31 -12.703 -7.037 5.396 1.00 0.00 N ATOM 0 H ARG A 31 -11.884 -1.800 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.539 -2.974 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.346 -3.782 -0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.133 -4.974 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.889 -3.603 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.336 -5.113 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.003 -5.992 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.904 -4.568 2.843 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.397 -6.039 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.974 -5.855 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.233 -6.703 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.698 -7.124 5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.326 -7.415 6.265 1.00 0.00 H new ATOM 488 N ILE A 32 -8.314 -3.383 0.599 1.00 0.00 N ATOM 489 CA ILE A 32 -6.941 -3.455 0.126 1.00 0.00 C ATOM 490 C ILE A 32 -6.292 -4.726 0.658 1.00 0.00 C ATOM 491 O ILE A 32 -6.710 -5.262 1.684 1.00 0.00 O ATOM 492 CB ILE A 32 -6.168 -2.203 0.586 1.00 0.00 C ATOM 493 CG1 ILE A 32 -7.043 -0.951 0.439 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.866 -2.048 -0.209 1.00 0.00 C ATOM 495 CD1 ILE A 32 -6.262 0.353 0.605 1.00 0.00 C ATOM 0 H ILE A 32 -8.402 -3.471 1.611 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.922 -3.485 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.911 -2.324 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.517 -0.960 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.842 -0.985 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.336 -1.158 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.239 -2.926 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.097 -1.949 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.939 1.200 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.810 0.383 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.480 0.408 -0.152 1.00 0.00 H new ATOM 507 N GLY A 33 -5.269 -5.207 -0.046 1.00 0.00 N ATOM 508 CA GLY A 33 -4.509 -6.368 0.362 1.00 0.00 C ATOM 509 C GLY A 33 -3.032 -6.021 0.415 1.00 0.00 C ATOM 510 O GLY A 33 -2.566 -5.127 -0.288 1.00 0.00 O ATOM 0 H GLY A 33 -4.948 -4.793 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.847 -6.710 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.675 -7.187 -0.338 1.00 0.00 H new ATOM 514 N ILE A 34 -2.296 -6.739 1.262 1.00 0.00 N ATOM 515 CA ILE A 34 -0.876 -6.509 1.483 1.00 0.00 C ATOM 516 C ILE A 34 -0.185 -7.853 1.622 1.00 0.00 C ATOM 517 O ILE A 34 -0.715 -8.764 2.254 1.00 0.00 O ATOM 518 CB ILE A 34 -0.665 -5.676 2.756 1.00 0.00 C ATOM 519 CG1 ILE A 34 -1.498 -4.386 2.720 1.00 0.00 C ATOM 520 CG2 ILE A 34 0.826 -5.350 2.899 1.00 0.00 C ATOM 521 CD1 ILE A 34 -1.420 -3.630 4.045 1.00 0.00 C ATOM 0 H ILE A 34 -2.677 -7.504 1.818 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.456 -5.959 0.640 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.998 -6.255 3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.143 -3.745 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.537 -4.629 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.984 -4.758 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.396 -6.277 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.159 -4.783 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.021 -2.723 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.800 -4.262 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.383 -3.364 4.252 1.00 0.00 H new ATOM 533 N ASN A 35 1.001 -7.983 1.038 1.00 0.00 N ATOM 534 CA ASN A 35 1.714 -9.244 1.037 1.00 0.00 C ATOM 535 C ASN A 35 3.202 -8.993 1.250 1.00 0.00 C ATOM 536 O ASN A 35 3.893 -8.522 0.350 1.00 0.00 O ATOM 537 CB ASN A 35 1.421 -9.951 -0.284 1.00 0.00 C ATOM 538 CG ASN A 35 1.874 -11.402 -0.274 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.835 -11.760 0.398 1.00 0.00 O ATOM 540 ND2 ASN A 35 1.178 -12.247 -1.028 1.00 0.00 N ATOM 0 H ASN A 35 1.486 -7.224 0.559 1.00 0.00 H new ATOM 0 HA ASN A 35 1.385 -9.888 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.351 -9.908 -0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.921 -9.422 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.437 -13.233 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.384 -11.910 -1.573 1.00 0.00 H new ATOM 547 N ALA A 36 3.681 -9.317 2.453 1.00 0.00 N ATOM 548 CA ALA A 36 5.078 -9.183 2.821 1.00 0.00 C ATOM 549 C ALA A 36 5.453 -10.283 3.811 1.00 0.00 C ATOM 550 O ALA A 36 4.578 -10.827 4.484 1.00 0.00 O ATOM 551 CB ALA A 36 5.299 -7.820 3.482 1.00 0.00 C ATOM 0 H ALA A 36 3.096 -9.684 3.203 1.00 0.00 H new ATOM 0 HA ALA A 36 5.697 -9.267 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.348 -7.716 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.029 -7.029 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.678 -7.744 4.375 1.00 0.00 H new ATOM 557 N PRO A 37 6.747 -10.604 3.900 1.00 0.00 N ATOM 558 CA PRO A 37 7.262 -11.565 4.854 1.00 0.00 C ATOM 559 C PRO A 37 7.066 -11.069 6.283 1.00 0.00 C ATOM 560 O PRO A 37 6.900 -9.874 6.519 1.00 0.00 O ATOM 561 CB PRO A 37 8.750 -11.689 4.526 1.00 0.00 C ATOM 562 CG PRO A 37 9.098 -10.385 3.816 1.00 0.00 C ATOM 563 CD PRO A 37 7.810 -10.061 3.078 1.00 0.00 C ATOM 0 HA PRO A 37 6.746 -12.523 4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.345 -11.819 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.945 -12.552 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.371 -9.599 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.938 -10.506 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.693 -8.985 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.804 -10.507 2.084 1.00 0.00 H new ATOM 571 N LYS A 38 7.087 -11.991 7.248 1.00 0.00 N ATOM 572 CA LYS A 38 7.056 -11.634 8.665 1.00 0.00 C ATOM 573 C LYS A 38 8.375 -10.978 9.071 1.00 0.00 C ATOM 574 O LYS A 38 8.565 -10.589 10.221 1.00 0.00 O ATOM 575 CB LYS A 38 6.758 -12.884 9.497 1.00 0.00 C ATOM 576 CG LYS A 38 5.376 -13.433 9.141 1.00 0.00 C ATOM 577 CD LYS A 38 4.261 -12.525 9.658 1.00 0.00 C ATOM 578 CE LYS A 38 3.959 -12.861 11.117 1.00 0.00 C ATOM 579 NZ LYS A 38 2.858 -12.032 11.642 1.00 0.00 N ATOM 0 H LYS A 38 7.126 -12.995 7.071 1.00 0.00 H new ATOM 0 HA LYS A 38 6.264 -10.909 8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.518 -13.643 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.800 -12.642 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.292 -13.534 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.260 -14.431 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.559 -11.480 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.364 -12.653 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.696 -13.915 11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.853 -12.706 11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.677 -12.284 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.121 -11.028 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.999 -12.199 11.080 1.00 0.00 H new ATOM 593 N ASP A 39 9.282 -10.867 8.098 1.00 0.00 N ATOM 594 CA ASP A 39 10.552 -10.177 8.217 1.00 0.00 C ATOM 595 C ASP A 39 10.347 -8.668 8.347 1.00 0.00 C ATOM 596 O ASP A 39 11.293 -7.941 8.654 1.00 0.00 O ATOM 597 CB ASP A 39 11.365 -10.478 6.959 1.00 0.00 C ATOM 598 CG ASP A 39 12.853 -10.190 7.162 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.439 -10.811 8.076 1.00 0.00 O ATOM 600 OD2 ASP A 39 13.389 -9.353 6.402 1.00 0.00 O ATOM 0 H ASP A 39 9.139 -11.274 7.174 1.00 0.00 H new ATOM 0 HA ASP A 39 11.073 -10.520 9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.232 -11.524 6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.988 -9.878 6.131 1.00 0.00 H new ATOM 605 N VAL A 40 9.114 -8.200 8.120 1.00 0.00 N ATOM 606 CA VAL A 40 8.768 -6.788 8.171 1.00 0.00 C ATOM 607 C VAL A 40 7.416 -6.614 8.857 1.00 0.00 C ATOM 608 O VAL A 40 6.696 -7.587 9.083 1.00 0.00 O ATOM 609 CB VAL A 40 8.733 -6.187 6.758 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.035 -6.464 6.004 1.00 0.00 C ATOM 611 CG2 VAL A 40 7.574 -6.743 5.932 1.00 0.00 C ATOM 0 H VAL A 40 8.324 -8.804 7.894 1.00 0.00 H new ATOM 0 HA VAL A 40 9.530 -6.260 8.745 1.00 0.00 H new ATOM 0 HB VAL A 40 8.601 -5.113 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.979 -6.026 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.871 -6.023 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.184 -7.540 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.585 -6.292 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.678 -7.824 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.631 -6.510 6.426 1.00 0.00 H new ATOM 621 N ALA A 41 7.067 -5.369 9.190 1.00 0.00 N ATOM 622 CA ALA A 41 5.839 -5.077 9.907 1.00 0.00 C ATOM 623 C ALA A 41 4.804 -4.423 8.993 1.00 0.00 C ATOM 624 O ALA A 41 5.147 -3.813 7.984 1.00 0.00 O ATOM 625 CB ALA A 41 6.168 -4.155 11.084 1.00 0.00 C ATOM 0 H ALA A 41 7.628 -4.546 8.969 1.00 0.00 H new ATOM 0 HA ALA A 41 5.408 -6.010 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.255 -3.926 11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.876 -4.651 11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.608 -3.230 10.710 1.00 0.00 H new ATOM 631 N VAL A 42 3.525 -4.559 9.356 1.00 0.00 N ATOM 632 CA VAL A 42 2.432 -3.891 8.658 1.00 0.00 C ATOM 633 C VAL A 42 1.238 -3.771 9.603 1.00 0.00 C ATOM 634 O VAL A 42 0.793 -4.761 10.187 1.00 0.00 O ATOM 635 CB VAL A 42 2.066 -4.651 7.371 1.00 0.00 C ATOM 636 CG1 VAL A 42 2.172 -6.163 7.552 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.655 -4.307 6.894 1.00 0.00 C ATOM 0 H VAL A 42 3.223 -5.135 10.141 1.00 0.00 H new ATOM 0 HA VAL A 42 2.742 -2.890 8.359 1.00 0.00 H new ATOM 0 HB VAL A 42 2.787 -4.333 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.905 -6.661 6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.194 -6.426 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.493 -6.483 8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.433 -4.863 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.066 -4.574 7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.590 -3.238 6.691 1.00 0.00 H new ATOM 647 N HIS A 43 0.719 -2.549 9.753 1.00 0.00 N ATOM 648 CA HIS A 43 -0.416 -2.276 10.625 1.00 0.00 C ATOM 649 C HIS A 43 -1.166 -1.047 10.126 1.00 0.00 C ATOM 650 O HIS A 43 -0.699 -0.361 9.218 1.00 0.00 O ATOM 651 CB HIS A 43 0.053 -2.005 12.060 1.00 0.00 C ATOM 652 CG HIS A 43 1.144 -2.913 12.569 1.00 0.00 C ATOM 653 ND1 HIS A 43 0.946 -4.079 13.314 1.00 0.00 N ATOM 654 CD2 HIS A 43 2.480 -2.719 12.379 1.00 0.00 C ATOM 655 CE1 HIS A 43 2.176 -4.563 13.551 1.00 0.00 C ATOM 656 NE2 HIS A 43 3.112 -3.768 13.004 1.00 0.00 N ATOM 0 H HIS A 43 1.077 -1.724 9.271 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.067 -3.150 10.614 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.404 -0.975 12.120 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.806 -2.089 12.726 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.056 -4.478 13.614 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.948 -1.905 11.845 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.385 -5.466 14.105 1.00 0.00 H new ATOM 664 N ARG A 44 -2.332 -0.759 10.714 1.00 0.00 N ATOM 665 CA ARG A 44 -3.060 0.461 10.404 1.00 0.00 C ATOM 666 C ARG A 44 -2.305 1.630 11.021 1.00 0.00 C ATOM 667 O ARG A 44 -1.491 1.440 11.923 1.00 0.00 O ATOM 668 CB ARG A 44 -4.481 0.401 10.974 1.00 0.00 C ATOM 669 CG ARG A 44 -5.293 -0.692 10.280 1.00 0.00 C ATOM 670 CD ARG A 44 -6.750 -0.668 10.733 1.00 0.00 C ATOM 671 NE ARG A 44 -6.876 -0.942 12.171 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.385 -0.092 13.068 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.832 1.110 12.709 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.444 -0.454 14.343 1.00 0.00 N ATOM 0 H ARG A 44 -2.785 -1.357 11.405 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.136 0.581 9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.441 0.207 12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.972 1.365 10.843 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.243 -0.556 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.857 -1.667 10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.185 0.306 10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.318 -1.408 10.170 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.551 -1.848 12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.790 1.399 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.216 1.742 13.411 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.103 -1.372 14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.830 0.186 15.037 1.00 0.00 H new ATOM 688 N GLU A 45 -2.572 2.844 10.548 1.00 0.00 N ATOM 689 CA GLU A 45 -1.909 4.025 11.084 1.00 0.00 C ATOM 690 C GLU A 45 -2.260 4.193 12.566 1.00 0.00 C ATOM 691 O GLU A 45 -1.544 4.856 13.311 1.00 0.00 O ATOM 692 CB GLU A 45 -2.316 5.229 10.231 1.00 0.00 C ATOM 693 CG GLU A 45 -1.386 6.441 10.374 1.00 0.00 C ATOM 694 CD GLU A 45 -1.588 7.213 11.671 1.00 0.00 C ATOM 695 OE1 GLU A 45 -2.762 7.465 12.030 1.00 0.00 O ATOM 696 OE2 GLU A 45 -0.557 7.553 12.294 1.00 0.00 O ATOM 0 H GLU A 45 -3.239 3.034 9.800 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.824 3.927 11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.343 4.927 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.329 5.527 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.351 6.103 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.547 7.114 9.531 1.00 0.00 H new ATOM 703 N GLU A 46 -3.375 3.586 12.992 1.00 0.00 N ATOM 704 CA GLU A 46 -3.845 3.621 14.368 1.00 0.00 C ATOM 705 C GLU A 46 -2.994 2.737 15.283 1.00 0.00 C ATOM 706 O GLU A 46 -2.792 3.069 16.449 1.00 0.00 O ATOM 707 CB GLU A 46 -5.289 3.105 14.353 1.00 0.00 C ATOM 708 CG GLU A 46 -5.956 3.136 15.731 1.00 0.00 C ATOM 709 CD GLU A 46 -7.343 2.499 15.661 1.00 0.00 C ATOM 710 OE1 GLU A 46 -8.157 2.964 14.833 1.00 0.00 O ATOM 711 OE2 GLU A 46 -7.587 1.548 16.438 1.00 0.00 O ATOM 0 H GLU A 46 -3.982 3.049 12.372 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.777 4.637 14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.876 3.707 13.659 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.299 2.083 13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.339 2.602 16.454 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.038 4.165 16.080 1.00 0.00 H new ATOM 718 N ILE A 47 -2.491 1.611 14.760 1.00 0.00 N ATOM 719 CA ILE A 47 -1.695 0.667 15.537 1.00 0.00 C ATOM 720 C ILE A 47 -0.219 1.045 15.433 1.00 0.00 C ATOM 721 O ILE A 47 0.562 0.769 16.338 1.00 0.00 O ATOM 722 CB ILE A 47 -1.925 -0.756 15.000 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.202 -1.389 15.565 1.00 0.00 C ATOM 724 CG2 ILE A 47 -0.781 -1.692 15.400 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.477 -0.609 15.249 1.00 0.00 C ATOM 0 H ILE A 47 -2.627 1.334 13.788 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.994 0.701 16.585 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.995 -0.647 13.918 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.300 -2.400 15.169 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.102 -1.479 16.647 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.973 -2.690 15.006 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.157 -1.315 14.993 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.712 -1.738 16.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.335 -1.122 15.683 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.403 0.394 15.669 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.604 -0.541 14.169 1.00 0.00 H new ATOM 737 N TYR A 48 0.165 1.678 14.325 1.00 0.00 N ATOM 738 CA TYR A 48 1.547 2.050 14.074 1.00 0.00 C ATOM 739 C TYR A 48 2.091 2.994 15.151 1.00 0.00 C ATOM 740 O TYR A 48 3.282 2.967 15.456 1.00 0.00 O ATOM 741 CB TYR A 48 1.596 2.717 12.700 1.00 0.00 C ATOM 742 CG TYR A 48 2.982 3.082 12.241 1.00 0.00 C ATOM 743 CD1 TYR A 48 3.847 2.093 11.753 1.00 0.00 C ATOM 744 CD2 TYR A 48 3.395 4.421 12.300 1.00 0.00 C ATOM 745 CE1 TYR A 48 5.123 2.445 11.289 1.00 0.00 C ATOM 746 CE2 TYR A 48 4.662 4.779 11.830 1.00 0.00 C ATOM 747 CZ TYR A 48 5.531 3.795 11.311 1.00 0.00 C ATOM 748 OH TYR A 48 6.762 4.140 10.841 1.00 0.00 O ATOM 0 H TYR A 48 -0.477 1.945 13.579 1.00 0.00 H new ATOM 0 HA TYR A 48 2.177 1.161 14.100 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.147 2.047 11.967 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.984 3.619 12.724 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.531 1.060 11.734 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.736 5.173 12.707 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.792 1.684 10.916 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.977 5.812 11.864 1.00 0.00 H new ATOM 0 HH TYR A 48 6.885 5.108 10.927 1.00 0.00 H new ATOM 1211 N MET C 1 0.563 -12.266 4.621 1.00 0.00 N ATOM 1212 CA MET C 1 -0.598 -11.701 3.905 1.00 0.00 C ATOM 1213 C MET C 1 -1.506 -10.963 4.878 1.00 0.00 C ATOM 1214 O MET C 1 -1.774 -11.484 5.952 1.00 0.00 O ATOM 1215 CB MET C 1 -1.384 -12.812 3.203 1.00 0.00 C ATOM 1216 CG MET C 1 -2.521 -12.221 2.377 1.00 0.00 C ATOM 1217 SD MET C 1 -1.920 -11.208 1.001 1.00 0.00 S ATOM 1218 CE MET C 1 -3.337 -10.101 0.871 1.00 0.00 C ATOM 0 H1 MET C 1 0.774 -13.213 4.247 1.00 0.00 H new ATOM 0 H2 MET C 1 1.389 -11.648 4.486 1.00 0.00 H new ATOM 0 H3 MET C 1 0.345 -12.335 5.636 1.00 0.00 H new ATOM 0 HA MET C 1 -0.234 -10.999 3.155 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.718 -13.385 2.558 1.00 0.00 H new ATOM 0 HB3 MET C 1 -1.786 -13.505 3.943 1.00 0.00 H new ATOM 0 HG2 MET C 1 -3.141 -13.028 1.987 1.00 0.00 H new ATOM 0 HG3 MET C 1 -3.157 -11.614 3.021 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.110 -9.300 0.167 1.00 0.00 H new ATOM 0 HE2 MET C 1 -4.204 -10.659 0.517 1.00 0.00 H new ATOM 0 HE3 MET C 1 -3.555 -9.673 1.849 1.00 0.00 H new ATOM 1230 N LEU C 2 -1.989 -9.771 4.520 1.00 0.00 N ATOM 1231 CA LEU C 2 -2.918 -9.035 5.365 1.00 0.00 C ATOM 1232 C LEU C 2 -3.985 -8.349 4.519 1.00 0.00 C ATOM 1233 O LEU C 2 -3.673 -7.775 3.476 1.00 0.00 O ATOM 1234 CB LEU C 2 -2.144 -7.994 6.171 1.00 0.00 C ATOM 1235 CG LEU C 2 -2.003 -8.371 7.644 1.00 0.00 C ATOM 1236 CD1 LEU C 2 -1.275 -7.251 8.379 1.00 0.00 C ATOM 1237 CD2 LEU C 2 -3.352 -8.562 8.327 1.00 0.00 C ATOM 0 H LEU C 2 -1.749 -9.299 3.649 1.00 0.00 H new ATOM 0 HA LEU C 2 -3.414 -9.732 6.041 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.152 -7.868 5.736 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -2.650 -7.032 6.094 1.00 0.00 H new ATOM 0 HG LEU C 2 -1.454 -9.312 7.682 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -1.171 -7.514 9.432 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -0.287 -7.110 7.941 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -1.846 -6.327 8.291 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -3.196 -8.829 9.372 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.923 -7.635 8.270 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -3.903 -9.359 7.827 1.00 0.00 H new ATOM 1249 N ILE C 3 -5.243 -8.408 4.968 1.00 0.00 N ATOM 1250 CA ILE C 3 -6.344 -7.765 4.275 1.00 0.00 C ATOM 1251 C ILE C 3 -6.792 -6.585 5.128 1.00 0.00 C ATOM 1252 O ILE C 3 -6.897 -6.717 6.348 1.00 0.00 O ATOM 1253 CB ILE C 3 -7.534 -8.718 4.063 1.00 0.00 C ATOM 1254 CG1 ILE C 3 -7.227 -10.212 3.890 1.00 0.00 C ATOM 1255 CG2 ILE C 3 -8.304 -8.225 2.841 1.00 0.00 C ATOM 1256 CD1 ILE C 3 -5.945 -10.571 3.144 1.00 0.00 C ATOM 0 H ILE C 3 -5.517 -8.902 5.817 1.00 0.00 H new ATOM 0 HA ILE C 3 -6.006 -7.449 3.288 1.00 0.00 H new ATOM 0 HB ILE C 3 -8.097 -8.681 4.995 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -7.182 -10.666 4.880 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -8.065 -10.672 3.366 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -9.157 -8.879 2.660 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -8.657 -7.209 3.019 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -7.649 -8.234 1.970 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -5.846 -11.655 3.091 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -5.984 -10.160 2.135 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -5.088 -10.154 3.672 1.00 0.00 H new ATOM 1268 N LEU C 4 -7.056 -5.445 4.492 1.00 0.00 N ATOM 1269 CA LEU C 4 -7.346 -4.198 5.181 1.00 0.00 C ATOM 1270 C LEU C 4 -8.533 -3.492 4.543 1.00 0.00 C ATOM 1271 O LEU C 4 -8.869 -3.747 3.390 1.00 0.00 O ATOM 1272 CB LEU C 4 -6.122 -3.270 5.048 1.00 0.00 C ATOM 1273 CG LEU C 4 -5.197 -3.202 6.269 1.00 0.00 C ATOM 1274 CD1 LEU C 4 -5.951 -2.652 7.472 1.00 0.00 C ATOM 1275 CD2 LEU C 4 -4.573 -4.547 6.627 1.00 0.00 C ATOM 0 H LEU C 4 -7.074 -5.365 3.475 1.00 0.00 H new ATOM 0 HA LEU C 4 -7.573 -4.420 6.224 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -5.535 -3.596 4.189 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -6.476 -2.263 4.828 1.00 0.00 H new ATOM 0 HG LEU C 4 -4.380 -2.533 5.998 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -5.283 -2.609 8.332 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -6.316 -1.650 7.246 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -6.795 -3.303 7.701 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -3.930 -4.429 7.499 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -5.361 -5.266 6.852 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -3.981 -4.909 5.786 1.00 0.00 H new ATOM 1287 N THR C 5 -9.167 -2.600 5.308 1.00 0.00 N ATOM 1288 CA THR C 5 -10.149 -1.679 4.762 1.00 0.00 C ATOM 1289 C THR C 5 -9.848 -0.298 5.327 1.00 0.00 C ATOM 1290 O THR C 5 -9.620 -0.147 6.525 1.00 0.00 O ATOM 1291 CB THR C 5 -11.590 -2.076 5.087 1.00 0.00 C ATOM 1292 OG1 THR C 5 -11.766 -3.472 5.014 1.00 0.00 O ATOM 1293 CG2 THR C 5 -12.510 -1.406 4.073 1.00 0.00 C ATOM 0 H THR C 5 -9.012 -2.501 6.311 1.00 0.00 H new ATOM 0 HA THR C 5 -10.072 -1.695 3.675 1.00 0.00 H new ATOM 0 HB THR C 5 -11.823 -1.757 6.103 1.00 0.00 H new ATOM 0 HG1 THR C 5 -12.696 -3.696 5.228 1.00 0.00 H new ATOM 0 HG21 THR C 5 -13.544 -1.676 4.286 1.00 0.00 H new ATOM 0 HG22 THR C 5 -12.396 -0.324 4.138 1.00 0.00 H new ATOM 0 HG23 THR C 5 -12.248 -1.739 3.069 1.00 0.00 H new ATOM 1301 N ARG C 6 -9.855 0.703 4.452 1.00 0.00 N ATOM 1302 CA ARG C 6 -9.561 2.085 4.796 1.00 0.00 C ATOM 1303 C ARG C 6 -10.490 2.970 3.970 1.00 0.00 C ATOM 1304 O ARG C 6 -11.032 2.492 2.978 1.00 0.00 O ATOM 1305 CB ARG C 6 -8.089 2.314 4.428 1.00 0.00 C ATOM 1306 CG ARG C 6 -7.486 3.640 4.902 1.00 0.00 C ATOM 1307 CD ARG C 6 -6.979 3.566 6.346 1.00 0.00 C ATOM 1308 NE ARG C 6 -8.058 3.570 7.339 1.00 0.00 N ATOM 1309 CZ ARG C 6 -7.856 3.807 8.638 1.00 0.00 C ATOM 1310 NH1 ARG C 6 -6.628 4.032 9.106 1.00 0.00 N ATOM 1311 NH2 ARG C 6 -8.883 3.825 9.483 1.00 0.00 N ATOM 0 H ARG C 6 -10.070 0.570 3.464 1.00 0.00 H new ATOM 0 HA ARG C 6 -9.715 2.314 5.851 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -7.498 1.498 4.844 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -7.991 2.258 3.344 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -6.662 3.918 4.244 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -8.236 4.427 4.823 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.384 2.661 6.469 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -6.317 4.411 6.535 1.00 0.00 H new ATOM 0 HE ARG C 6 -9.009 3.383 7.022 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -5.831 4.024 8.470 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -6.486 4.212 10.100 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -9.829 3.657 9.140 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -8.725 4.006 10.474 1.00 0.00 H new ATOM 1325 N LYS C 7 -10.688 4.237 4.346 1.00 0.00 N ATOM 1326 CA LYS C 7 -11.468 5.137 3.504 1.00 0.00 C ATOM 1327 C LYS C 7 -10.675 6.387 3.174 1.00 0.00 C ATOM 1328 O LYS C 7 -9.643 6.663 3.780 1.00 0.00 O ATOM 1329 CB LYS C 7 -12.840 5.482 4.095 1.00 0.00 C ATOM 1330 CG LYS C 7 -12.766 6.291 5.387 1.00 0.00 C ATOM 1331 CD LYS C 7 -14.181 6.752 5.747 1.00 0.00 C ATOM 1332 CE LYS C 7 -14.143 7.767 6.886 1.00 0.00 C ATOM 1333 NZ LYS C 7 -15.503 8.129 7.326 1.00 0.00 N ATOM 0 H LYS C 7 -10.328 4.651 5.206 1.00 0.00 H new ATOM 0 HA LYS C 7 -11.670 4.600 2.577 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -13.413 6.044 3.357 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -13.386 4.558 4.286 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -12.348 5.685 6.191 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -12.107 7.150 5.260 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -14.658 7.196 4.873 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -14.786 5.893 6.038 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -13.585 7.354 7.726 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -13.613 8.662 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -15.445 8.820 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -16.026 8.545 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -15.999 7.277 7.658 1.00 0.00 H new ATOM 1347 N VAL C 8 -11.181 7.137 2.196 1.00 0.00 N ATOM 1348 CA VAL C 8 -10.440 8.254 1.629 1.00 0.00 C ATOM 1349 C VAL C 8 -10.034 9.262 2.695 1.00 0.00 C ATOM 1350 O VAL C 8 -10.862 9.736 3.471 1.00 0.00 O ATOM 1351 CB VAL C 8 -11.196 8.879 0.455 1.00 0.00 C ATOM 1352 CG1 VAL C 8 -11.621 7.776 -0.517 1.00 0.00 C ATOM 1353 CG2 VAL C 8 -12.445 9.654 0.846 1.00 0.00 C ATOM 0 H VAL C 8 -12.101 6.988 1.782 1.00 0.00 H new ATOM 0 HA VAL C 8 -9.506 7.869 1.220 1.00 0.00 H new ATOM 0 HB VAL C 8 -10.502 9.591 0.008 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -12.160 8.218 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -10.737 7.257 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -12.269 7.067 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -12.916 10.061 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -13.143 8.987 1.352 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -12.172 10.470 1.516 1.00 0.00 H new ATOM 1363 N GLY C 9 -8.735 9.582 2.720 1.00 0.00 N ATOM 1364 CA GLY C 9 -8.177 10.559 3.643 1.00 0.00 C ATOM 1365 C GLY C 9 -7.406 9.919 4.800 1.00 0.00 C ATOM 1366 O GLY C 9 -6.803 10.639 5.596 1.00 0.00 O ATOM 0 H GLY C 9 -8.044 9.165 2.096 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -7.512 11.228 3.097 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -8.984 11.171 4.046 1.00 0.00 H new ATOM 1370 N GLU C 10 -7.415 8.586 4.904 1.00 0.00 N ATOM 1371 CA GLU C 10 -6.732 7.879 5.985 1.00 0.00 C ATOM 1372 C GLU C 10 -5.495 7.142 5.458 1.00 0.00 C ATOM 1373 O GLU C 10 -5.191 7.219 4.271 1.00 0.00 O ATOM 1374 CB GLU C 10 -7.710 6.922 6.668 1.00 0.00 C ATOM 1375 CG GLU C 10 -8.903 7.662 7.278 1.00 0.00 C ATOM 1376 CD GLU C 10 -8.468 8.687 8.329 1.00 0.00 C ATOM 1377 OE1 GLU C 10 -7.644 8.315 9.195 1.00 0.00 O ATOM 1378 OE2 GLU C 10 -8.967 9.835 8.257 1.00 0.00 O ATOM 0 H GLU C 10 -7.894 7.973 4.244 1.00 0.00 H new ATOM 0 HA GLU C 10 -6.384 8.601 6.724 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.069 6.191 5.943 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -7.189 6.367 7.449 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.459 8.167 6.488 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.582 6.941 7.734 1.00 0.00 H new ATOM 1385 N SER C 11 -4.781 6.429 6.340 1.00 0.00 N ATOM 1386 CA SER C 11 -3.498 5.824 5.996 1.00 0.00 C ATOM 1387 C SER C 11 -3.286 4.442 6.626 1.00 0.00 C ATOM 1388 O SER C 11 -4.043 4.019 7.501 1.00 0.00 O ATOM 1389 CB SER C 11 -2.376 6.761 6.450 1.00 0.00 C ATOM 1390 OG SER C 11 -2.479 8.009 5.797 1.00 0.00 O ATOM 0 H SER C 11 -5.077 6.260 7.301 1.00 0.00 H new ATOM 0 HA SER C 11 -3.489 5.680 4.916 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.428 6.903 7.529 1.00 0.00 H new ATOM 0 HB3 SER C 11 -1.408 6.310 6.234 1.00 0.00 H new ATOM 0 HG SER C 11 -1.756 8.597 6.099 1.00 0.00 H new ATOM 1396 N ILE C 12 -2.237 3.760 6.154 1.00 0.00 N ATOM 1397 CA ILE C 12 -1.762 2.457 6.606 1.00 0.00 C ATOM 1398 C ILE C 12 -0.230 2.537 6.634 1.00 0.00 C ATOM 1399 O ILE C 12 0.345 3.460 6.057 1.00 0.00 O ATOM 1400 CB ILE C 12 -2.252 1.359 5.641 1.00 0.00 C ATOM 1401 CG1 ILE C 12 -3.784 1.282 5.570 1.00 0.00 C ATOM 1402 CG2 ILE C 12 -1.709 -0.027 6.007 1.00 0.00 C ATOM 1403 CD1 ILE C 12 -4.429 0.809 6.875 1.00 0.00 C ATOM 0 H ILE C 12 -1.663 4.132 5.397 1.00 0.00 H new ATOM 0 HA ILE C 12 -2.145 2.206 7.595 1.00 0.00 H new ATOM 0 HB ILE C 12 -1.863 1.648 4.664 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.178 2.265 5.314 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -4.070 0.604 4.765 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.084 -0.764 5.297 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -0.620 -0.012 5.973 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -2.037 -0.292 7.012 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -5.512 0.778 6.755 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -4.062 -0.187 7.122 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -4.173 1.499 7.679 1.00 0.00 H new ATOM 1415 N ASN C 13 0.457 1.598 7.292 1.00 0.00 N ATOM 1416 CA ASN C 13 1.905 1.653 7.431 1.00 0.00 C ATOM 1417 C ASN C 13 2.567 0.291 7.232 1.00 0.00 C ATOM 1418 O ASN C 13 1.941 -0.752 7.430 1.00 0.00 O ATOM 1419 CB ASN C 13 2.262 2.200 8.815 1.00 0.00 C ATOM 1420 CG ASN C 13 1.929 3.679 8.925 1.00 0.00 C ATOM 1421 OD1 ASN C 13 0.811 4.046 9.268 1.00 0.00 O ATOM 1422 ND2 ASN C 13 2.901 4.537 8.635 1.00 0.00 N ATOM 0 H ASN C 13 0.025 0.788 7.737 1.00 0.00 H new ATOM 0 HA ASN C 13 2.283 2.312 6.649 1.00 0.00 H new ATOM 0 HB2 ASN C 13 1.719 1.645 9.580 1.00 0.00 H new ATOM 0 HB3 ASN C 13 3.324 2.049 9.006 1.00 0.00 H new ATOM 0 HD21 ASN C 13 2.730 5.541 8.694 1.00 0.00 H new ATOM 0 HD22 ASN C 13 3.819 4.192 8.353 1.00 0.00 H new ATOM 1429 N ILE C 14 3.844 0.325 6.831 1.00 0.00 N ATOM 1430 CA ILE C 14 4.657 -0.858 6.598 1.00 0.00 C ATOM 1431 C ILE C 14 6.072 -0.584 7.107 1.00 0.00 C ATOM 1432 O ILE C 14 6.548 0.552 7.064 1.00 0.00 O ATOM 1433 CB ILE C 14 4.669 -1.208 5.099 1.00 0.00 C ATOM 1434 CG1 ILE C 14 3.233 -1.370 4.574 1.00 0.00 C ATOM 1435 CG2 ILE C 14 5.463 -2.498 4.861 1.00 0.00 C ATOM 1436 CD1 ILE C 14 3.183 -1.715 3.084 1.00 0.00 C ATOM 0 H ILE C 14 4.344 1.197 6.658 1.00 0.00 H new ATOM 0 HA ILE C 14 4.240 -1.711 7.133 1.00 0.00 H new ATOM 0 HB ILE C 14 5.150 -0.393 4.558 1.00 0.00 H new ATOM 0 HG12 ILE C 14 2.730 -2.153 5.141 1.00 0.00 H new ATOM 0 HG13 ILE C 14 2.681 -0.446 4.747 1.00 0.00 H new ATOM 0 HG21 ILE C 14 5.463 -2.734 3.797 1.00 0.00 H new ATOM 0 HG22 ILE C 14 6.489 -2.362 5.203 1.00 0.00 H new ATOM 0 HG23 ILE C 14 5.002 -3.316 5.414 1.00 0.00 H new ATOM 0 HD11 ILE C 14 2.145 -1.817 2.769 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.660 -0.920 2.510 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.709 -2.654 2.910 1.00 0.00 H new ATOM 1448 N GLY C 15 6.754 -1.624 7.593 1.00 0.00 N ATOM 1449 CA GLY C 15 8.097 -1.497 8.133 1.00 0.00 C ATOM 1450 C GLY C 15 8.134 -0.431 9.222 1.00 0.00 C ATOM 1451 O GLY C 15 7.207 -0.317 10.026 1.00 0.00 O ATOM 0 H GLY C 15 6.385 -2.575 7.620 1.00 0.00 H new ATOM 0 HA2 GLY C 15 8.424 -2.454 8.541 1.00 0.00 H new ATOM 0 HA3 GLY C 15 8.793 -1.236 7.336 1.00 0.00 H new ATOM 1455 N ASP C 16 9.215 0.350 9.242 1.00 0.00 N ATOM 1456 CA ASP C 16 9.392 1.460 10.166 1.00 0.00 C ATOM 1457 C ASP C 16 9.781 2.717 9.386 1.00 0.00 C ATOM 1458 O ASP C 16 10.167 3.727 9.975 1.00 0.00 O ATOM 1459 CB ASP C 16 10.447 1.103 11.219 1.00 0.00 C ATOM 1460 CG ASP C 16 10.026 -0.097 12.067 1.00 0.00 C ATOM 1461 OD1 ASP C 16 9.346 0.132 13.094 1.00 0.00 O ATOM 1462 OD2 ASP C 16 10.389 -1.232 11.682 1.00 0.00 O ATOM 0 H ASP C 16 10.002 0.223 8.605 1.00 0.00 H new ATOM 0 HA ASP C 16 8.456 1.658 10.688 1.00 0.00 H new ATOM 0 HB2 ASP C 16 11.393 0.883 10.724 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.618 1.963 11.867 1.00 0.00 H new ATOM 1467 N ASP C 17 9.680 2.650 8.052 1.00 0.00 N ATOM 1468 CA ASP C 17 10.083 3.728 7.163 1.00 0.00 C ATOM 1469 C ASP C 17 9.147 3.843 5.956 1.00 0.00 C ATOM 1470 O ASP C 17 9.480 4.550 5.005 1.00 0.00 O ATOM 1471 CB ASP C 17 11.518 3.488 6.684 1.00 0.00 C ATOM 1472 CG ASP C 17 12.510 3.467 7.843 1.00 0.00 C ATOM 1473 OD1 ASP C 17 12.913 4.570 8.277 1.00 0.00 O ATOM 1474 OD2 ASP C 17 12.863 2.350 8.286 1.00 0.00 O ATOM 0 H ASP C 17 9.312 1.834 7.563 1.00 0.00 H new ATOM 0 HA ASP C 17 10.028 4.664 7.719 1.00 0.00 H new ATOM 0 HB2 ASP C 17 11.568 2.541 6.147 1.00 0.00 H new ATOM 0 HB3 ASP C 17 11.801 4.270 5.979 1.00 0.00 H new ATOM 1479 N ILE C 18 7.988 3.166 5.967 1.00 0.00 N ATOM 1480 CA ILE C 18 7.060 3.229 4.846 1.00 0.00 C ATOM 1481 C ILE C 18 5.656 3.573 5.340 1.00 0.00 C ATOM 1482 O ILE C 18 5.242 3.170 6.424 1.00 0.00 O ATOM 1483 CB ILE C 18 7.043 1.912 4.054 1.00 0.00 C ATOM 1484 CG1 ILE C 18 8.439 1.502 3.569 1.00 0.00 C ATOM 1485 CG2 ILE C 18 6.139 2.059 2.828 1.00 0.00 C ATOM 1486 CD1 ILE C 18 9.126 0.595 4.588 1.00 0.00 C ATOM 0 H ILE C 18 7.680 2.574 6.739 1.00 0.00 H new ATOM 0 HA ILE C 18 7.401 4.015 4.173 1.00 0.00 H new ATOM 0 HB ILE C 18 6.672 1.142 4.730 1.00 0.00 H new ATOM 0 HG12 ILE C 18 8.359 0.986 2.612 1.00 0.00 H new ATOM 0 HG13 ILE C 18 9.046 2.392 3.401 1.00 0.00 H new ATOM 0 HG21 ILE C 18 6.129 1.123 2.269 1.00 0.00 H new ATOM 0 HG22 ILE C 18 5.126 2.300 3.150 1.00 0.00 H new ATOM 0 HG23 ILE C 18 6.517 2.859 2.191 1.00 0.00 H new ATOM 0 HD11 ILE C 18 10.114 0.318 4.221 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.226 1.123 5.536 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.529 -0.305 4.735 1.00 0.00 H new ATOM 1498 N THR C 19 4.921 4.334 4.521 1.00 0.00 N ATOM 1499 CA THR C 19 3.553 4.733 4.804 1.00 0.00 C ATOM 1500 C THR C 19 2.748 4.690 3.512 1.00 0.00 C ATOM 1501 O THR C 19 3.310 4.813 2.425 1.00 0.00 O ATOM 1502 CB THR C 19 3.546 6.148 5.400 1.00 0.00 C ATOM 1503 OG1 THR C 19 4.373 6.196 6.543 1.00 0.00 O ATOM 1504 CG2 THR C 19 2.139 6.580 5.812 1.00 0.00 C ATOM 0 H THR C 19 5.272 4.691 3.632 1.00 0.00 H new ATOM 0 HA THR C 19 3.103 4.051 5.526 1.00 0.00 H new ATOM 0 HB THR C 19 3.915 6.824 4.628 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.364 7.102 6.916 1.00 0.00 H new ATOM 0 HG21 THR C 19 2.175 7.586 6.229 1.00 0.00 H new ATOM 0 HG22 THR C 19 1.486 6.572 4.939 1.00 0.00 H new ATOM 0 HG23 THR C 19 1.751 5.890 6.562 1.00 0.00 H new ATOM 1512 N ILE C 20 1.433 4.510 3.636 1.00 0.00 N ATOM 1513 CA ILE C 20 0.513 4.433 2.512 1.00 0.00 C ATOM 1514 C ILE C 20 -0.699 5.298 2.832 1.00 0.00 C ATOM 1515 O ILE C 20 -1.123 5.355 3.984 1.00 0.00 O ATOM 1516 CB ILE C 20 0.078 2.973 2.310 1.00 0.00 C ATOM 1517 CG1 ILE C 20 1.267 2.043 2.043 1.00 0.00 C ATOM 1518 CG2 ILE C 20 -0.938 2.868 1.167 1.00 0.00 C ATOM 1519 CD1 ILE C 20 1.949 2.309 0.701 1.00 0.00 C ATOM 0 H ILE C 20 0.973 4.412 4.541 1.00 0.00 H new ATOM 0 HA ILE C 20 0.992 4.786 1.599 1.00 0.00 H new ATOM 0 HB ILE C 20 -0.389 2.649 3.240 1.00 0.00 H new ATOM 0 HG12 ILE C 20 1.997 2.158 2.844 1.00 0.00 H new ATOM 0 HG13 ILE C 20 0.924 1.009 2.071 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.235 1.827 1.038 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.816 3.469 1.404 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.487 3.233 0.244 1.00 0.00 H new ATOM 0 HD11 ILE C 20 2.782 1.618 0.573 1.00 0.00 H new ATOM 0 HD12 ILE C 20 1.231 2.166 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE C 20 2.321 3.333 0.679 1.00 0.00 H new ATOM 1531 N THR C 21 -1.258 5.966 1.824 1.00 0.00 N ATOM 1532 CA THR C 21 -2.412 6.836 2.015 1.00 0.00 C ATOM 1533 C THR C 21 -3.393 6.658 0.865 1.00 0.00 C ATOM 1534 O THR C 21 -2.991 6.414 -0.272 1.00 0.00 O ATOM 1535 CB THR C 21 -1.941 8.291 2.100 1.00 0.00 C ATOM 1536 OG1 THR C 21 -0.956 8.418 3.101 1.00 0.00 O ATOM 1537 CG2 THR C 21 -3.088 9.235 2.439 1.00 0.00 C ATOM 0 H THR C 21 -0.926 5.919 0.861 1.00 0.00 H new ATOM 0 HA THR C 21 -2.920 6.572 2.943 1.00 0.00 H new ATOM 0 HB THR C 21 -1.538 8.559 1.123 1.00 0.00 H new ATOM 0 HG1 THR C 21 -1.365 8.285 3.981 1.00 0.00 H new ATOM 0 HG21 THR C 21 -2.714 10.258 2.490 1.00 0.00 H new ATOM 0 HG22 THR C 21 -3.855 9.167 1.668 1.00 0.00 H new ATOM 0 HG23 THR C 21 -3.516 8.956 3.402 1.00 0.00 H new ATOM 1545 N ILE C 22 -4.687 6.780 1.162 1.00 0.00 N ATOM 1546 CA ILE C 22 -5.755 6.651 0.183 1.00 0.00 C ATOM 1547 C ILE C 22 -6.298 8.048 -0.111 1.00 0.00 C ATOM 1548 O ILE C 22 -7.173 8.549 0.592 1.00 0.00 O ATOM 1549 CB ILE C 22 -6.797 5.636 0.691 1.00 0.00 C ATOM 1550 CG1 ILE C 22 -8.110 5.650 -0.097 1.00 0.00 C ATOM 1551 CG2 ILE C 22 -7.137 5.844 2.164 1.00 0.00 C ATOM 1552 CD1 ILE C 22 -7.879 5.566 -1.596 1.00 0.00 C ATOM 0 H ILE C 22 -5.023 6.974 2.105 1.00 0.00 H new ATOM 0 HA ILE C 22 -5.406 6.247 -0.767 1.00 0.00 H new ATOM 0 HB ILE C 22 -6.312 4.671 0.546 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -8.732 4.813 0.221 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -8.661 6.562 0.134 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -7.875 5.105 2.475 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.235 5.731 2.765 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -7.544 6.845 2.306 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -8.838 5.579 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -7.280 6.417 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -7.352 4.641 -1.832 1.00 0.00 H new ATOM 1564 N LEU C 23 -5.765 8.686 -1.159 1.00 0.00 N ATOM 1565 CA LEU C 23 -6.090 10.066 -1.481 1.00 0.00 C ATOM 1566 C LEU C 23 -7.556 10.236 -1.886 1.00 0.00 C ATOM 1567 O LEU C 23 -8.119 11.312 -1.693 1.00 0.00 O ATOM 1568 CB LEU C 23 -5.189 10.586 -2.614 1.00 0.00 C ATOM 1569 CG LEU C 23 -3.685 10.336 -2.436 1.00 0.00 C ATOM 1570 CD1 LEU C 23 -2.918 11.130 -3.489 1.00 0.00 C ATOM 1571 CD2 LEU C 23 -3.155 10.774 -1.076 1.00 0.00 C ATOM 0 H LEU C 23 -5.099 8.256 -1.801 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.917 10.647 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.508 10.123 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.350 11.659 -2.718 1.00 0.00 H new ATOM 0 HG LEU C 23 -3.542 9.260 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.849 10.957 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.227 10.809 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.129 12.193 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -2.086 10.568 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -3.326 11.843 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.673 10.225 -0.290 1.00 0.00 H new ATOM 1583 N GLY C 24 -8.186 9.191 -2.437 1.00 0.00 N ATOM 1584 CA GLY C 24 -9.596 9.250 -2.809 1.00 0.00 C ATOM 1585 C GLY C 24 -9.982 8.178 -3.830 1.00 0.00 C ATOM 1586 O GLY C 24 -9.174 7.310 -4.154 1.00 0.00 O ATOM 0 H GLY C 24 -7.737 8.296 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -10.209 9.132 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -9.818 10.235 -3.220 1.00 0.00 H new ATOM 1590 N VAL C 25 -11.219 8.237 -4.336 1.00 0.00 N ATOM 1591 CA VAL C 25 -11.705 7.299 -5.344 1.00 0.00 C ATOM 1592 C VAL C 25 -12.510 8.020 -6.423 1.00 0.00 C ATOM 1593 O VAL C 25 -12.945 9.154 -6.225 1.00 0.00 O ATOM 1594 CB VAL C 25 -12.579 6.202 -4.712 1.00 0.00 C ATOM 1595 CG1 VAL C 25 -11.886 5.550 -3.519 1.00 0.00 C ATOM 1596 CG2 VAL C 25 -13.940 6.741 -4.270 1.00 0.00 C ATOM 0 H VAL C 25 -11.907 8.936 -4.056 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.828 6.837 -5.798 1.00 0.00 H new ATOM 0 HB VAL C 25 -12.734 5.452 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -12.533 4.780 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -10.949 5.098 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.680 6.305 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -14.525 5.934 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -13.797 7.530 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -14.470 7.144 -5.133 1.00 0.00 H new ATOM 1606 N SER C 26 -12.703 7.348 -7.560 1.00 0.00 N ATOM 1607 CA SER C 26 -13.509 7.838 -8.671 1.00 0.00 C ATOM 1608 C SER C 26 -14.105 6.643 -9.410 1.00 0.00 C ATOM 1609 O SER C 26 -13.502 6.126 -10.349 1.00 0.00 O ATOM 1610 CB SER C 26 -12.655 8.680 -9.620 1.00 0.00 C ATOM 1611 OG SER C 26 -12.245 9.881 -9.002 1.00 0.00 O ATOM 0 H SER C 26 -12.294 6.430 -7.734 1.00 0.00 H new ATOM 0 HA SER C 26 -14.311 8.470 -8.290 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.780 8.109 -9.930 1.00 0.00 H new ATOM 0 HB3 SER C 26 -13.224 8.907 -10.522 1.00 0.00 H new ATOM 0 HG SER C 26 -12.538 9.884 -8.067 1.00 0.00 H new ATOM 1617 N GLY C 27 -15.297 6.202 -8.990 1.00 0.00 N ATOM 1618 CA GLY C 27 -15.957 5.059 -9.601 1.00 0.00 C ATOM 1619 C GLY C 27 -15.291 3.762 -9.164 1.00 0.00 C ATOM 1620 O GLY C 27 -15.632 3.214 -8.118 1.00 0.00 O ATOM 0 H GLY C 27 -15.820 6.627 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -17.010 5.047 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -15.918 5.147 -10.687 1.00 0.00 H new ATOM 1624 N GLN C 28 -14.339 3.268 -9.962 1.00 0.00 N ATOM 1625 CA GLN C 28 -13.534 2.111 -9.598 1.00 0.00 C ATOM 1626 C GLN C 28 -12.089 2.528 -9.411 1.00 0.00 C ATOM 1627 O GLN C 28 -11.314 1.785 -8.812 1.00 0.00 O ATOM 1628 CB GLN C 28 -13.569 1.046 -10.692 1.00 0.00 C ATOM 1629 CG GLN C 28 -14.954 0.471 -10.953 1.00 0.00 C ATOM 1630 CD GLN C 28 -15.511 -0.300 -9.758 1.00 0.00 C ATOM 1631 OE1 GLN C 28 -15.588 -1.526 -9.790 1.00 0.00 O ATOM 1632 NE2 GLN C 28 -15.911 0.396 -8.694 1.00 0.00 N ATOM 0 H GLN C 28 -14.110 3.662 -10.875 1.00 0.00 H new ATOM 0 HA GLN C 28 -13.947 1.703 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -13.186 1.477 -11.617 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -12.896 0.234 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.637 1.282 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -14.910 -0.191 -11.818 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -15.836 1.413 -8.693 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -16.292 -0.089 -7.881 1.00 0.00 H new ATOM 1641 N GLN C 29 -11.719 3.708 -9.917 1.00 0.00 N ATOM 1642 CA GLN C 29 -10.374 4.205 -9.726 1.00 0.00 C ATOM 1643 C GLN C 29 -10.210 4.548 -8.252 1.00 0.00 C ATOM 1644 O GLN C 29 -11.172 4.912 -7.575 1.00 0.00 O ATOM 1645 CB GLN C 29 -10.120 5.436 -10.594 1.00 0.00 C ATOM 1646 CG GLN C 29 -10.407 5.185 -12.075 1.00 0.00 C ATOM 1647 CD GLN C 29 -9.582 4.054 -12.677 1.00 0.00 C ATOM 1648 OE1 GLN C 29 -10.129 3.153 -13.304 1.00 0.00 O ATOM 1649 NE2 GLN C 29 -8.264 4.083 -12.498 1.00 0.00 N ATOM 0 H GLN C 29 -12.331 4.323 -10.454 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.650 3.446 -10.022 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.743 6.258 -10.242 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -9.083 5.750 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.465 4.955 -12.197 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.214 6.101 -12.634 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -7.837 4.846 -11.972 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -7.680 3.343 -12.887 1.00 0.00 H new ATOM 1658 N VAL C 30 -8.981 4.428 -7.767 1.00 0.00 N ATOM 1659 CA VAL C 30 -8.620 4.665 -6.387 1.00 0.00 C ATOM 1660 C VAL C 30 -7.281 5.375 -6.422 1.00 0.00 C ATOM 1661 O VAL C 30 -6.274 4.789 -6.818 1.00 0.00 O ATOM 1662 CB VAL C 30 -8.535 3.332 -5.641 1.00 0.00 C ATOM 1663 CG1 VAL C 30 -8.139 3.555 -4.185 1.00 0.00 C ATOM 1664 CG2 VAL C 30 -9.889 2.622 -5.649 1.00 0.00 C ATOM 0 H VAL C 30 -8.187 4.154 -8.346 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.358 5.272 -5.862 1.00 0.00 H new ATOM 0 HB VAL C 30 -7.786 2.724 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -8.084 2.595 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -7.166 4.045 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -8.883 4.185 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.807 1.676 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -10.633 3.252 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.194 2.431 -6.678 1.00 0.00 H new ATOM 1674 N ARG C 31 -7.274 6.640 -6.007 1.00 0.00 N ATOM 1675 CA ARG C 31 -6.068 7.441 -5.983 1.00 0.00 C ATOM 1676 C ARG C 31 -5.332 7.129 -4.690 1.00 0.00 C ATOM 1677 O ARG C 31 -5.919 7.204 -3.613 1.00 0.00 O ATOM 1678 CB ARG C 31 -6.455 8.913 -6.082 1.00 0.00 C ATOM 1679 CG ARG C 31 -5.232 9.753 -6.441 1.00 0.00 C ATOM 1680 CD ARG C 31 -5.664 11.214 -6.532 1.00 0.00 C ATOM 1681 NE ARG C 31 -4.561 12.069 -6.980 1.00 0.00 N ATOM 1682 CZ ARG C 31 -4.608 13.405 -6.959 1.00 0.00 C ATOM 1683 NH1 ARG C 31 -5.701 14.042 -6.546 1.00 0.00 N ATOM 1684 NH2 ARG C 31 -3.561 14.119 -7.350 1.00 0.00 N ATOM 0 H ARG C 31 -8.106 7.131 -5.680 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.410 7.215 -6.822 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.230 9.043 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.873 9.252 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -4.454 9.633 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -4.809 9.422 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -6.502 11.305 -7.224 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -6.017 11.552 -5.558 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.713 11.621 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.516 13.511 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.724 15.062 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.714 13.649 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.603 15.138 -7.332 1.00 0.00 H new ATOM 1698 N ILE C 32 -4.051 6.782 -4.795 1.00 0.00 N ATOM 1699 CA ILE C 32 -3.289 6.276 -3.661 1.00 0.00 C ATOM 1700 C ILE C 32 -1.938 6.977 -3.598 1.00 0.00 C ATOM 1701 O ILE C 32 -1.441 7.449 -4.618 1.00 0.00 O ATOM 1702 CB ILE C 32 -3.084 4.755 -3.793 1.00 0.00 C ATOM 1703 CG1 ILE C 32 -4.356 4.073 -4.308 1.00 0.00 C ATOM 1704 CG2 ILE C 32 -2.658 4.165 -2.443 1.00 0.00 C ATOM 1705 CD1 ILE C 32 -4.262 2.546 -4.291 1.00 0.00 C ATOM 0 H ILE C 32 -3.518 6.844 -5.662 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.843 6.477 -2.744 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.293 4.573 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.203 4.387 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.555 4.408 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.515 3.089 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.724 4.626 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -3.432 4.359 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -5.192 2.120 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.434 2.225 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.092 2.203 -3.270 1.00 0.00 H new ATOM 1717 N GLY C 33 -1.350 7.040 -2.405 1.00 0.00 N ATOM 1718 CA GLY C 33 -0.047 7.632 -2.195 1.00 0.00 C ATOM 1719 C GLY C 33 0.840 6.667 -1.421 1.00 0.00 C ATOM 1720 O GLY C 33 0.351 5.818 -0.679 1.00 0.00 O ATOM 0 H GLY C 33 -1.776 6.675 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.412 7.872 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.147 8.568 -1.646 1.00 0.00 H new ATOM 1724 N ILE C 34 2.155 6.803 -1.606 1.00 0.00 N ATOM 1725 CA ILE C 34 3.151 5.927 -1.010 1.00 0.00 C ATOM 1726 C ILE C 34 4.327 6.781 -0.582 1.00 0.00 C ATOM 1727 O ILE C 34 4.698 7.726 -1.283 1.00 0.00 O ATOM 1728 CB ILE C 34 3.606 4.890 -2.047 1.00 0.00 C ATOM 1729 CG1 ILE C 34 2.409 4.129 -2.637 1.00 0.00 C ATOM 1730 CG2 ILE C 34 4.608 3.927 -1.399 1.00 0.00 C ATOM 1731 CD1 ILE C 34 2.841 3.233 -3.796 1.00 0.00 C ATOM 0 H ILE C 34 2.559 7.539 -2.185 1.00 0.00 H new ATOM 0 HA ILE C 34 2.736 5.401 -0.150 1.00 0.00 H new ATOM 0 HB ILE C 34 4.094 5.408 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.941 3.524 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.658 4.839 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE C 34 4.932 3.190 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE C 34 5.472 4.487 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.133 3.418 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE C 34 1.972 2.707 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE C 34 3.286 3.844 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE C 34 3.573 2.508 -3.442 1.00 0.00 H new ATOM 1743 N ASN C 35 4.920 6.460 0.567 1.00 0.00 N ATOM 1744 CA ASN C 35 5.986 7.267 1.117 1.00 0.00 C ATOM 1745 C ASN C 35 7.064 6.364 1.706 1.00 0.00 C ATOM 1746 O ASN C 35 6.881 5.780 2.771 1.00 0.00 O ATOM 1747 CB ASN C 35 5.367 8.201 2.161 1.00 0.00 C ATOM 1748 CG ASN C 35 6.320 9.305 2.590 1.00 0.00 C ATOM 1749 OD1 ASN C 35 7.537 9.127 2.609 1.00 0.00 O ATOM 1750 ND2 ASN C 35 5.772 10.465 2.938 1.00 0.00 N ATOM 0 H ASN C 35 4.674 5.645 1.128 1.00 0.00 H new ATOM 0 HA ASN C 35 6.471 7.870 0.350 1.00 0.00 H new ATOM 0 HB2 ASN C 35 4.460 8.646 1.753 1.00 0.00 H new ATOM 0 HB3 ASN C 35 5.072 7.620 3.035 1.00 0.00 H new ATOM 0 HD21 ASN C 35 6.365 11.241 3.232 1.00 0.00 H new ATOM 0 HD22 ASN C 35 4.759 10.579 2.911 1.00 0.00 H new ATOM 1757 N ALA C 36 8.184 6.256 0.991 1.00 0.00 N ATOM 1758 CA ALA C 36 9.314 5.439 1.395 1.00 0.00 C ATOM 1759 C ALA C 36 10.613 6.073 0.914 1.00 0.00 C ATOM 1760 O ALA C 36 10.608 6.848 -0.045 1.00 0.00 O ATOM 1761 CB ALA C 36 9.172 4.053 0.772 1.00 0.00 C ATOM 0 H ALA C 36 8.328 6.742 0.106 1.00 0.00 H new ATOM 0 HA ALA C 36 9.334 5.362 2.482 1.00 0.00 H new ATOM 0 HB1 ALA C 36 10.017 3.432 1.070 1.00 0.00 H new ATOM 0 HB2 ALA C 36 8.245 3.593 1.115 1.00 0.00 H new ATOM 0 HB3 ALA C 36 9.153 4.143 -0.314 1.00 0.00 H new ATOM 1767 N PRO C 37 11.731 5.746 1.574 1.00 0.00 N ATOM 1768 CA PRO C 37 13.047 6.210 1.186 1.00 0.00 C ATOM 1769 C PRO C 37 13.434 5.667 -0.187 1.00 0.00 C ATOM 1770 O PRO C 37 12.892 4.661 -0.645 1.00 0.00 O ATOM 1771 CB PRO C 37 13.994 5.689 2.269 1.00 0.00 C ATOM 1772 CG PRO C 37 13.252 4.513 2.904 1.00 0.00 C ATOM 1773 CD PRO C 37 11.787 4.899 2.752 1.00 0.00 C ATOM 0 HA PRO C 37 13.086 7.296 1.105 1.00 0.00 H new ATOM 0 HB2 PRO C 37 14.946 5.372 1.843 1.00 0.00 H new ATOM 0 HB3 PRO C 37 14.215 6.461 3.006 1.00 0.00 H new ATOM 0 HG2 PRO C 37 13.475 3.575 2.396 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.527 4.382 3.951 1.00 0.00 H new ATOM 0 HD2 PRO C 37 11.159 4.016 2.631 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.427 5.429 3.634 1.00 0.00 H new ATOM 1781 N LYS C 38 14.378 6.333 -0.853 1.00 0.00 N ATOM 1782 CA LYS C 38 14.909 5.871 -2.133 1.00 0.00 C ATOM 1783 C LYS C 38 15.802 4.651 -1.934 1.00 0.00 C ATOM 1784 O LYS C 38 16.338 4.091 -2.890 1.00 0.00 O ATOM 1785 CB LYS C 38 15.665 7.019 -2.809 1.00 0.00 C ATOM 1786 CG LYS C 38 14.682 8.136 -3.172 1.00 0.00 C ATOM 1787 CD LYS C 38 13.797 7.733 -4.354 1.00 0.00 C ATOM 1788 CE LYS C 38 14.507 8.047 -5.669 1.00 0.00 C ATOM 1789 NZ LYS C 38 13.660 7.726 -6.829 1.00 0.00 N ATOM 0 H LYS C 38 14.793 7.203 -0.521 1.00 0.00 H new ATOM 0 HA LYS C 38 14.088 5.566 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS C 38 16.437 7.402 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS C 38 16.169 6.658 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS C 38 14.057 8.369 -2.310 1.00 0.00 H new ATOM 0 HG3 LYS C 38 15.234 9.043 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS C 38 13.567 6.669 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS C 38 12.848 8.267 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS C 38 14.777 9.103 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS C 38 15.436 7.479 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 14.172 7.951 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 13.423 6.713 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 12.785 8.286 -6.786 1.00 0.00 H new ATOM 1803 N ASP C 39 15.952 4.244 -0.672 1.00 0.00 N ATOM 1804 CA ASP C 39 16.656 3.037 -0.273 1.00 0.00 C ATOM 1805 C ASP C 39 15.842 1.788 -0.619 1.00 0.00 C ATOM 1806 O ASP C 39 16.332 0.669 -0.466 1.00 0.00 O ATOM 1807 CB ASP C 39 16.900 3.078 1.236 1.00 0.00 C ATOM 1808 CG ASP C 39 17.955 4.121 1.601 1.00 0.00 C ATOM 1809 OD1 ASP C 39 19.153 3.757 1.600 1.00 0.00 O ATOM 1810 OD2 ASP C 39 17.552 5.271 1.880 1.00 0.00 O ATOM 0 H ASP C 39 15.574 4.765 0.119 1.00 0.00 H new ATOM 0 HA ASP C 39 17.603 2.991 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP C 39 15.967 3.306 1.751 1.00 0.00 H new ATOM 0 HB3 ASP C 39 17.223 2.096 1.581 1.00 0.00 H new ATOM 1815 N VAL C 40 14.602 1.970 -1.085 1.00 0.00 N ATOM 1816 CA VAL C 40 13.722 0.872 -1.469 1.00 0.00 C ATOM 1817 C VAL C 40 13.004 1.218 -2.767 1.00 0.00 C ATOM 1818 O VAL C 40 13.044 2.365 -3.220 1.00 0.00 O ATOM 1819 CB VAL C 40 12.704 0.581 -0.358 1.00 0.00 C ATOM 1820 CG1 VAL C 40 13.402 0.273 0.966 1.00 0.00 C ATOM 1821 CG2 VAL C 40 11.774 1.769 -0.140 1.00 0.00 C ATOM 0 H VAL C 40 14.182 2.892 -1.205 1.00 0.00 H new ATOM 0 HA VAL C 40 14.324 -0.024 -1.622 1.00 0.00 H new ATOM 0 HB VAL C 40 12.128 -0.286 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL C 40 12.654 0.071 1.733 1.00 0.00 H new ATOM 0 HG12 VAL C 40 14.043 -0.600 0.845 1.00 0.00 H new ATOM 0 HG13 VAL C 40 14.008 1.128 1.266 1.00 0.00 H new ATOM 0 HG21 VAL C 40 11.064 1.534 0.653 1.00 0.00 H new ATOM 0 HG22 VAL C 40 12.360 2.643 0.145 1.00 0.00 H new ATOM 0 HG23 VAL C 40 11.232 1.981 -1.062 1.00 0.00 H new ATOM 1831 N ALA C 41 12.345 0.230 -3.373 1.00 0.00 N ATOM 1832 CA ALA C 41 11.698 0.429 -4.656 1.00 0.00 C ATOM 1833 C ALA C 41 10.180 0.469 -4.518 1.00 0.00 C ATOM 1834 O ALA C 41 9.625 -0.042 -3.550 1.00 0.00 O ATOM 1835 CB ALA C 41 12.121 -0.698 -5.599 1.00 0.00 C ATOM 0 H ALA C 41 12.249 -0.711 -2.992 1.00 0.00 H new ATOM 0 HA ALA C 41 12.008 1.392 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA C 41 11.641 -0.561 -6.568 1.00 0.00 H new ATOM 0 HB2 ALA C 41 13.204 -0.681 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA C 41 11.820 -1.657 -5.178 1.00 0.00 H new ATOM 1841 N VAL C 42 9.506 1.077 -5.495 1.00 0.00 N ATOM 1842 CA VAL C 42 8.053 1.076 -5.571 1.00 0.00 C ATOM 1843 C VAL C 42 7.616 1.346 -7.009 1.00 0.00 C ATOM 1844 O VAL C 42 8.049 2.320 -7.620 1.00 0.00 O ATOM 1845 CB VAL C 42 7.470 2.104 -4.592 1.00 0.00 C ATOM 1846 CG1 VAL C 42 8.310 3.377 -4.534 1.00 0.00 C ATOM 1847 CG2 VAL C 42 6.035 2.468 -4.966 1.00 0.00 C ATOM 0 H VAL C 42 9.958 1.584 -6.256 1.00 0.00 H new ATOM 0 HA VAL C 42 7.669 0.098 -5.281 1.00 0.00 H new ATOM 0 HB VAL C 42 7.481 1.635 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL C 42 7.861 4.077 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL C 42 9.321 3.131 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL C 42 8.349 3.833 -5.523 1.00 0.00 H new ATOM 0 HG21 VAL C 42 5.648 3.198 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL C 42 6.017 2.894 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.414 1.572 -4.941 1.00 0.00 H new ATOM 1857 N HIS C 43 6.755 0.475 -7.539 1.00 0.00 N ATOM 1858 CA HIS C 43 6.239 0.578 -8.900 1.00 0.00 C ATOM 1859 C HIS C 43 4.884 -0.118 -8.983 1.00 0.00 C ATOM 1860 O HIS C 43 4.457 -0.734 -8.008 1.00 0.00 O ATOM 1861 CB HIS C 43 7.202 -0.100 -9.888 1.00 0.00 C ATOM 1862 CG HIS C 43 8.664 0.161 -9.643 1.00 0.00 C ATOM 1863 ND1 HIS C 43 9.421 1.167 -10.246 1.00 0.00 N ATOM 1864 CD2 HIS C 43 9.459 -0.557 -8.798 1.00 0.00 C ATOM 1865 CE1 HIS C 43 10.659 1.026 -9.744 1.00 0.00 C ATOM 1866 NE2 HIS C 43 10.710 0.003 -8.873 1.00 0.00 N ATOM 0 H HIS C 43 6.394 -0.330 -7.027 1.00 0.00 H new ATOM 0 HA HIS C 43 6.139 1.633 -9.157 1.00 0.00 H new ATOM 0 HB2 HIS C 43 7.032 -1.176 -9.855 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.955 0.232 -10.896 1.00 0.00 H new ATOM 0 HD1 HIS C 43 9.102 1.860 -10.923 1.00 0.00 H new ATOM 0 HD2 HIS C 43 9.163 -1.399 -8.190 1.00 0.00 H new ATOM 0 HE1 HIS C 43 11.501 1.651 -10.005 1.00 0.00 H new ATOM 1874 N ARG C 44 4.199 -0.033 -10.129 1.00 0.00 N ATOM 1875 CA ARG C 44 2.951 -0.761 -10.305 1.00 0.00 C ATOM 1876 C ARG C 44 3.290 -2.176 -10.763 1.00 0.00 C ATOM 1877 O ARG C 44 4.424 -2.451 -11.153 1.00 0.00 O ATOM 1878 CB ARG C 44 2.014 -0.017 -11.260 1.00 0.00 C ATOM 1879 CG ARG C 44 2.637 0.221 -12.633 1.00 0.00 C ATOM 1880 CD ARG C 44 1.701 1.098 -13.464 1.00 0.00 C ATOM 1881 NE ARG C 44 2.296 1.415 -14.764 1.00 0.00 N ATOM 1882 CZ ARG C 44 2.000 0.797 -15.909 1.00 0.00 C ATOM 1883 NH1 ARG C 44 1.082 -0.163 -15.952 1.00 0.00 N ATOM 1884 NH2 ARG C 44 2.631 1.140 -17.025 1.00 0.00 N ATOM 0 H ARG C 44 4.487 0.525 -10.933 1.00 0.00 H new ATOM 0 HA ARG C 44 2.404 -0.830 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG C 44 1.094 -0.589 -11.378 1.00 0.00 H new ATOM 0 HB3 ARG C 44 1.740 0.941 -10.819 1.00 0.00 H new ATOM 0 HG2 ARG C 44 3.608 0.704 -12.526 1.00 0.00 H new ATOM 0 HG3 ARG C 44 2.808 -0.730 -13.138 1.00 0.00 H new ATOM 0 HD2 ARG C 44 0.751 0.585 -13.610 1.00 0.00 H new ATOM 0 HD3 ARG C 44 1.486 2.020 -12.924 1.00 0.00 H new ATOM 0 HE ARG C 44 2.988 2.164 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG C 44 0.591 -0.438 -15.101 1.00 0.00 H new ATOM 0 HH12 ARG C 44 0.868 -0.625 -16.836 1.00 0.00 H new ATOM 0 HH21 ARG C 44 3.339 1.874 -17.005 1.00 0.00 H new ATOM 0 HH22 ARG C 44 2.408 0.670 -17.902 1.00 0.00 H new ATOM 1898 N GLU C 45 2.310 -3.082 -10.719 1.00 0.00 N ATOM 1899 CA GLU C 45 2.555 -4.494 -10.970 1.00 0.00 C ATOM 1900 C GLU C 45 3.167 -4.739 -12.351 1.00 0.00 C ATOM 1901 O GLU C 45 3.813 -5.763 -12.566 1.00 0.00 O ATOM 1902 CB GLU C 45 1.238 -5.255 -10.753 1.00 0.00 C ATOM 1903 CG GLU C 45 1.425 -6.751 -10.481 1.00 0.00 C ATOM 1904 CD GLU C 45 1.785 -7.562 -11.716 1.00 0.00 C ATOM 1905 OE1 GLU C 45 1.155 -7.328 -12.771 1.00 0.00 O ATOM 1906 OE2 GLU C 45 2.695 -8.411 -11.591 1.00 0.00 O ATOM 0 H GLU C 45 1.337 -2.856 -10.511 1.00 0.00 H new ATOM 0 HA GLU C 45 3.300 -4.869 -10.269 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.704 -4.807 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.609 -5.132 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU C 45 2.208 -6.879 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU C 45 0.506 -7.150 -10.052 1.00 0.00 H new ATOM 1913 N GLU C 46 2.980 -3.810 -13.293 1.00 0.00 N ATOM 1914 CA GLU C 46 3.525 -3.952 -14.637 1.00 0.00 C ATOM 1915 C GLU C 46 5.036 -3.731 -14.655 1.00 0.00 C ATOM 1916 O GLU C 46 5.769 -4.509 -15.261 1.00 0.00 O ATOM 1917 CB GLU C 46 2.855 -2.918 -15.543 1.00 0.00 C ATOM 1918 CG GLU C 46 3.325 -3.103 -16.990 1.00 0.00 C ATOM 1919 CD GLU C 46 2.727 -2.057 -17.923 1.00 0.00 C ATOM 1920 OE1 GLU C 46 1.480 -1.976 -17.996 1.00 0.00 O ATOM 1921 OE2 GLU C 46 3.525 -1.335 -18.564 1.00 0.00 O ATOM 0 H GLU C 46 2.452 -2.950 -13.144 1.00 0.00 H new ATOM 0 HA GLU C 46 3.329 -4.965 -14.988 1.00 0.00 H new ATOM 0 HB2 GLU C 46 1.771 -3.023 -15.488 1.00 0.00 H new ATOM 0 HB3 GLU C 46 3.096 -1.912 -15.200 1.00 0.00 H new ATOM 0 HG2 GLU C 46 4.413 -3.043 -17.028 1.00 0.00 H new ATOM 0 HG3 GLU C 46 3.048 -4.099 -17.337 1.00 0.00 H new ATOM 1928 N ILE C 47 5.512 -2.672 -13.992 1.00 0.00 N ATOM 1929 CA ILE C 47 6.922 -2.318 -14.008 1.00 0.00 C ATOM 1930 C ILE C 47 7.707 -3.272 -13.114 1.00 0.00 C ATOM 1931 O ILE C 47 8.901 -3.479 -13.324 1.00 0.00 O ATOM 1932 CB ILE C 47 7.084 -0.861 -13.538 1.00 0.00 C ATOM 1933 CG1 ILE C 47 6.776 0.146 -14.648 1.00 0.00 C ATOM 1934 CG2 ILE C 47 8.518 -0.574 -13.086 1.00 0.00 C ATOM 1935 CD1 ILE C 47 5.375 0.013 -15.239 1.00 0.00 C ATOM 0 H ILE C 47 4.931 -2.045 -13.436 1.00 0.00 H new ATOM 0 HA ILE C 47 7.315 -2.405 -15.021 1.00 0.00 H new ATOM 0 HB ILE C 47 6.379 -0.748 -12.715 1.00 0.00 H new ATOM 0 HG12 ILE C 47 6.898 1.155 -14.253 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.508 0.026 -15.446 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.596 0.463 -12.761 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.778 -1.234 -12.258 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.203 -0.747 -13.916 1.00 0.00 H new ATOM 0 HD11 ILE C 47 5.236 0.762 -16.018 1.00 0.00 H new ATOM 0 HD12 ILE C 47 5.253 -0.982 -15.666 1.00 0.00 H new ATOM 0 HD13 ILE C 47 4.633 0.164 -14.455 1.00 0.00 H new ATOM 1947 N TYR C 48 7.047 -3.862 -12.119 1.00 0.00 N ATOM 1948 CA TYR C 48 7.706 -4.756 -11.187 1.00 0.00 C ATOM 1949 C TYR C 48 8.283 -5.979 -11.897 1.00 0.00 C ATOM 1950 O TYR C 48 9.308 -6.516 -11.475 1.00 0.00 O ATOM 1951 CB TYR C 48 6.687 -5.169 -10.130 1.00 0.00 C ATOM 1952 CG TYR C 48 7.274 -6.011 -9.028 1.00 0.00 C ATOM 1953 CD1 TYR C 48 8.029 -5.412 -8.009 1.00 0.00 C ATOM 1954 CD2 TYR C 48 7.062 -7.396 -9.023 1.00 0.00 C ATOM 1955 CE1 TYR C 48 8.553 -6.188 -6.964 1.00 0.00 C ATOM 1956 CE2 TYR C 48 7.569 -8.178 -7.982 1.00 0.00 C ATOM 1957 CZ TYR C 48 8.311 -7.580 -6.942 1.00 0.00 C ATOM 1958 OH TYR C 48 8.797 -8.341 -5.920 1.00 0.00 O ATOM 0 H TYR C 48 6.051 -3.732 -11.943 1.00 0.00 H new ATOM 0 HA TYR C 48 8.546 -4.243 -10.719 1.00 0.00 H new ATOM 0 HB2 TYR C 48 6.243 -4.274 -9.695 1.00 0.00 H new ATOM 0 HB3 TYR C 48 5.881 -5.724 -10.611 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.208 -4.347 -8.029 1.00 0.00 H new ATOM 0 HD2 TYR C 48 6.506 -7.860 -9.825 1.00 0.00 H new ATOM 0 HE1 TYR C 48 9.137 -5.725 -6.182 1.00 0.00 H new ATOM 0 HE2 TYR C 48 7.392 -9.243 -7.974 1.00 0.00 H new ATOM 0 HH TYR C 48 8.540 -9.277 -6.058 1.00 0.00 H new