USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot -61:sc= 0.605 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 149:sc=-0.00977 (180deg=-0.928) USER MOD Single : A 1 MET CE :methyl 139:sc= -1.16 (180deg=-2.38) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.119 K(o=-0.12,f=-5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.0273 (180deg=-0.051) USER MOD Single : A 14 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.61) USER MOD Single : A 17 THR OG1 : rot 129:sc= 0.559 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -133:sc= 0.536 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 6:sc= 0.533 USER MOD Single : A 40 GLN : amide:sc= -1.21 K(o=-1.2,f=-6!) USER MOD Single : A 42 MET CE :methyl 159:sc= 0 (180deg=-0.95) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -170:sc= 0.0151 USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.00231 USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.107) USER MOD Single : A 80 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.349 -0.544 11.195 1.00 0.00 N ATOM 2 CA MET A 1 1.821 -0.239 9.823 1.00 0.00 C ATOM 3 C MET A 1 0.924 -0.870 8.764 1.00 0.00 C ATOM 4 O MET A 1 0.385 -0.164 7.923 1.00 0.00 O ATOM 5 CB MET A 1 3.272 -0.711 9.638 1.00 0.00 C ATOM 6 CG MET A 1 4.310 0.229 10.241 1.00 0.00 C ATOM 7 SD MET A 1 5.869 -0.603 10.594 1.00 0.00 S ATOM 8 CE MET A 1 6.382 -1.089 8.950 1.00 0.00 C ATOM 0 H1 MET A 1 1.984 -0.098 11.888 1.00 0.00 H new ATOM 0 H2 MET A 1 0.385 -0.174 11.321 1.00 0.00 H new ATOM 0 H3 MET A 1 1.346 -1.574 11.340 1.00 0.00 H new ATOM 0 HA MET A 1 1.777 0.842 9.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.383 -1.697 10.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.474 -0.824 8.573 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.490 1.056 9.554 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.915 0.660 11.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.454 -0.927 8.841 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.157 -2.144 8.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.847 -0.492 8.211 1.00 0.00 H new ATOM 17 N ASN A 2 0.750 -2.191 8.814 1.00 0.00 N ATOM 18 CA ASN A 2 0.019 -2.910 7.760 1.00 0.00 C ATOM 19 C ASN A 2 -1.394 -2.346 7.578 1.00 0.00 C ATOM 20 O ASN A 2 -1.845 -2.131 6.450 1.00 0.00 O ATOM 21 CB ASN A 2 -0.042 -4.421 8.054 1.00 0.00 C ATOM 22 CG ASN A 2 -0.891 -4.778 9.266 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.982 -4.016 10.232 1.00 0.00 O ATOM 24 ND2 ASN A 2 -1.520 -5.941 9.222 1.00 0.00 N ATOM 0 H ASN A 2 1.101 -2.785 9.565 1.00 0.00 H new ATOM 0 HA ASN A 2 0.567 -2.764 6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.440 -4.936 7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.971 -4.792 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.105 -6.234 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.420 -6.544 8.406 1.00 0.00 H new ATOM 31 N ALA A 3 -2.078 -2.088 8.691 1.00 0.00 N ATOM 32 CA ALA A 3 -3.414 -1.501 8.651 1.00 0.00 C ATOM 33 C ALA A 3 -3.342 -0.075 8.117 1.00 0.00 C ATOM 34 O ALA A 3 -4.125 0.321 7.257 1.00 0.00 O ATOM 35 CB ALA A 3 -4.049 -1.529 10.037 1.00 0.00 C ATOM 0 H ALA A 3 -1.729 -2.276 9.631 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.039 -2.090 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.045 -1.088 9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.125 -2.560 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.432 -0.959 10.732 1.00 0.00 H new ATOM 41 N THR A 4 -2.375 0.676 8.627 1.00 0.00 N ATOM 42 CA THR A 4 -2.097 2.032 8.168 1.00 0.00 C ATOM 43 C THR A 4 -1.897 2.072 6.644 1.00 0.00 C ATOM 44 O THR A 4 -2.382 2.978 5.961 1.00 0.00 O ATOM 45 CB THR A 4 -0.830 2.560 8.880 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.028 2.524 10.298 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.475 3.977 8.454 1.00 0.00 C ATOM 0 H THR A 4 -1.757 0.361 9.375 1.00 0.00 H new ATOM 0 HA THR A 4 -2.951 2.665 8.411 1.00 0.00 H new ATOM 0 HB THR A 4 -0.000 1.913 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.224 2.857 10.749 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.422 4.302 8.982 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.292 3.999 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.300 4.647 8.695 1.00 0.00 H new ATOM 55 N ILE A 5 -1.202 1.063 6.125 1.00 0.00 N ATOM 56 CA ILE A 5 -0.881 0.977 4.702 1.00 0.00 C ATOM 57 C ILE A 5 -2.130 0.671 3.878 1.00 0.00 C ATOM 58 O ILE A 5 -2.432 1.367 2.911 1.00 0.00 O ATOM 59 CB ILE A 5 0.201 -0.104 4.443 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.509 0.268 5.168 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.446 -0.281 2.944 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.521 -0.858 5.231 1.00 0.00 C ATOM 0 H ILE A 5 -0.846 0.283 6.677 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.488 1.946 4.393 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.159 -1.054 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.962 1.122 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.272 0.587 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.209 -1.044 2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.480 -0.588 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.784 0.663 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.413 -0.517 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.089 -1.706 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.790 -1.163 4.220 1.00 0.00 H new ATOM 74 N ARG A 6 -2.864 -0.362 4.274 1.00 0.00 N ATOM 75 CA ARG A 6 -4.081 -0.750 3.560 1.00 0.00 C ATOM 76 C ARG A 6 -5.130 0.360 3.675 1.00 0.00 C ATOM 77 O ARG A 6 -6.001 0.505 2.815 1.00 0.00 O ATOM 78 CB ARG A 6 -4.637 -2.075 4.117 1.00 0.00 C ATOM 79 CG ARG A 6 -5.255 -1.949 5.506 1.00 0.00 C ATOM 80 CD ARG A 6 -5.673 -3.296 6.093 1.00 0.00 C ATOM 81 NE ARG A 6 -6.560 -4.056 5.206 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.814 -3.707 4.899 1.00 0.00 C ATOM 83 NH1 ARG A 6 -8.344 -2.593 5.385 1.00 0.00 N ATOM 84 NH2 ARG A 6 -8.544 -4.484 4.110 1.00 0.00 N ATOM 0 H ARG A 6 -2.642 -0.945 5.081 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.837 -0.898 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.389 -2.460 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.832 -2.809 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.539 -1.473 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.125 -1.295 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.782 -3.888 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.176 -3.131 7.046 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.194 -4.914 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.794 -1.993 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.301 -2.336 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.149 -5.347 3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.500 -4.218 3.876 1.00 0.00 H new ATOM 98 N GLU A 7 -5.036 1.138 4.751 1.00 0.00 N ATOM 99 CA GLU A 7 -5.980 2.220 5.014 1.00 0.00 C ATOM 100 C GLU A 7 -5.714 3.439 4.134 1.00 0.00 C ATOM 101 O GLU A 7 -6.656 4.080 3.659 1.00 0.00 O ATOM 102 CB GLU A 7 -5.936 2.620 6.493 1.00 0.00 C ATOM 103 CG GLU A 7 -6.874 3.768 6.850 1.00 0.00 C ATOM 104 CD GLU A 7 -6.956 4.011 8.345 1.00 0.00 C ATOM 105 OE1 GLU A 7 -6.071 4.701 8.895 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.906 3.504 8.983 1.00 0.00 O ATOM 0 H GLU A 7 -4.309 1.037 5.460 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.975 1.847 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.191 1.753 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.916 2.903 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.533 4.678 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.871 3.551 6.466 1.00 0.00 H new ATOM 113 N ILE A 8 -4.438 3.768 3.912 1.00 0.00 N ATOM 114 CA ILE A 8 -4.098 4.990 3.189 1.00 0.00 C ATOM 115 C ILE A 8 -4.720 4.992 1.788 1.00 0.00 C ATOM 116 O ILE A 8 -5.093 6.044 1.272 1.00 0.00 O ATOM 117 CB ILE A 8 -2.570 5.236 3.072 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.323 6.676 2.611 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.930 4.254 2.102 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.875 7.008 2.359 1.00 0.00 C ATOM 0 H ILE A 8 -3.638 3.214 4.218 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.514 5.804 3.783 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.114 5.082 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.889 6.854 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.714 7.359 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.859 4.450 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.093 3.236 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.378 4.372 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.790 8.046 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.304 6.865 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.482 6.353 1.581 1.00 0.00 H new ATOM 132 N LEU A 9 -4.839 3.810 1.181 1.00 0.00 N ATOM 133 CA LEU A 9 -5.438 3.681 -0.151 1.00 0.00 C ATOM 134 C LEU A 9 -6.861 4.242 -0.169 1.00 0.00 C ATOM 135 O LEU A 9 -7.337 4.719 -1.198 1.00 0.00 O ATOM 136 CB LEU A 9 -5.440 2.212 -0.618 1.00 0.00 C ATOM 137 CG LEU A 9 -4.114 1.692 -1.206 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.717 2.495 -2.445 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.001 1.721 -0.163 1.00 0.00 C ATOM 0 H LEU A 9 -4.529 2.928 1.589 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.828 4.262 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.712 1.582 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.221 2.091 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.265 0.655 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.778 2.110 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.496 2.405 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.594 3.544 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.077 1.349 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.852 2.744 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.278 1.091 0.682 1.00 0.00 H new ATOM 151 N ALA A 10 -7.526 4.195 0.981 1.00 0.00 N ATOM 152 CA ALA A 10 -8.895 4.685 1.106 1.00 0.00 C ATOM 153 C ALA A 10 -8.939 6.211 1.191 1.00 0.00 C ATOM 154 O ALA A 10 -9.834 6.845 0.633 1.00 0.00 O ATOM 155 CB ALA A 10 -9.564 4.066 2.331 1.00 0.00 C ATOM 0 H ALA A 10 -7.136 3.820 1.846 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.441 4.387 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.585 4.438 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.581 2.981 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.004 4.336 3.227 1.00 0.00 H new ATOM 161 N LYS A 11 -7.962 6.802 1.878 1.00 0.00 N ATOM 162 CA LYS A 11 -8.005 8.235 2.200 1.00 0.00 C ATOM 163 C LYS A 11 -7.052 9.070 1.331 1.00 0.00 C ATOM 164 O LYS A 11 -7.164 10.295 1.277 1.00 0.00 O ATOM 165 CB LYS A 11 -7.708 8.432 3.698 1.00 0.00 C ATOM 166 CG LYS A 11 -6.396 7.807 4.167 1.00 0.00 C ATOM 167 CD LYS A 11 -6.294 7.749 5.696 1.00 0.00 C ATOM 168 CE LYS A 11 -6.567 9.098 6.364 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.570 10.135 5.985 1.00 0.00 N ATOM 0 H LYS A 11 -7.133 6.317 2.222 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.008 8.597 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.686 9.500 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.527 8.006 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.310 6.799 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.560 8.383 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.003 7.012 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.298 7.406 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.565 9.440 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.561 8.971 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.944 11.077 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.686 9.975 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.382 10.079 4.964 1.00 0.00 H new ATOM 183 N PHE A 12 -6.121 8.411 0.649 1.00 0.00 N ATOM 184 CA PHE A 12 -5.180 9.095 -0.253 1.00 0.00 C ATOM 185 C PHE A 12 -5.179 8.447 -1.633 1.00 0.00 C ATOM 186 O PHE A 12 -5.057 9.133 -2.651 1.00 0.00 O ATOM 187 CB PHE A 12 -3.752 9.061 0.313 1.00 0.00 C ATOM 188 CG PHE A 12 -3.461 10.103 1.367 1.00 0.00 C ATOM 189 CD1 PHE A 12 -2.975 11.352 1.007 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.656 9.831 2.713 1.00 0.00 C ATOM 191 CE1 PHE A 12 -2.693 12.305 1.968 1.00 0.00 C ATOM 192 CE2 PHE A 12 -3.377 10.780 3.675 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.894 12.019 3.302 1.00 0.00 C ATOM 0 H PHE A 12 -5.992 7.400 0.699 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.510 10.130 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.569 8.074 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.048 9.190 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.815 11.582 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.031 8.863 3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.315 13.273 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.536 10.554 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.674 12.763 4.054 1.00 0.00 H new ATOM 203 N GLY A 13 -5.310 7.126 -1.653 1.00 0.00 N ATOM 204 CA GLY A 13 -5.225 6.379 -2.894 1.00 0.00 C ATOM 205 C GLY A 13 -6.385 6.661 -3.830 1.00 0.00 C ATOM 206 O GLY A 13 -7.550 6.517 -3.450 1.00 0.00 O ATOM 0 H GLY A 13 -5.475 6.555 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.290 6.625 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.196 5.313 -2.670 1.00 0.00 H new ATOM 210 N GLN A 14 -6.069 7.070 -5.055 1.00 0.00 N ATOM 211 CA GLN A 14 -7.087 7.294 -6.076 1.00 0.00 C ATOM 212 C GLN A 14 -7.488 5.958 -6.701 1.00 0.00 C ATOM 213 O GLN A 14 -7.129 5.643 -7.840 1.00 0.00 O ATOM 214 CB GLN A 14 -6.576 8.277 -7.145 1.00 0.00 C ATOM 215 CG GLN A 14 -7.599 8.608 -8.231 1.00 0.00 C ATOM 216 CD GLN A 14 -8.888 9.201 -7.679 1.00 0.00 C ATOM 217 OE1 GLN A 14 -8.889 9.871 -6.644 1.00 0.00 O ATOM 218 NE2 GLN A 14 -9.996 8.955 -8.362 1.00 0.00 N ATOM 0 H GLN A 14 -5.115 7.253 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.967 7.740 -5.613 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.270 9.202 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.687 7.856 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.156 9.311 -8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.833 7.701 -8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.956 8.396 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.889 9.324 -8.035 1.00 0.00 H new ATOM 227 N LEU A 15 -8.185 5.150 -5.916 1.00 0.00 N ATOM 228 CA LEU A 15 -8.652 3.845 -6.359 1.00 0.00 C ATOM 229 C LEU A 15 -10.103 3.961 -6.832 1.00 0.00 C ATOM 230 O LEU A 15 -10.948 4.499 -6.114 1.00 0.00 O ATOM 231 CB LEU A 15 -8.530 2.828 -5.206 1.00 0.00 C ATOM 232 CG LEU A 15 -8.648 1.344 -5.604 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.524 0.946 -6.554 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.638 0.444 -4.368 1.00 0.00 C ATOM 0 H LEU A 15 -8.442 5.380 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.039 3.495 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.568 2.977 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.302 3.049 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.600 1.212 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.628 -0.106 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.577 1.556 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.562 1.103 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.722 -0.598 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.706 0.586 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.479 0.701 -3.724 1.00 0.00 H new ATOM 246 N PRO A 16 -10.421 3.454 -8.042 1.00 0.00 N ATOM 247 CA PRO A 16 -11.770 3.556 -8.616 1.00 0.00 C ATOM 248 C PRO A 16 -12.735 2.557 -7.984 1.00 0.00 C ATOM 249 O PRO A 16 -13.890 2.432 -8.398 1.00 0.00 O ATOM 250 CB PRO A 16 -11.547 3.224 -10.093 1.00 0.00 C ATOM 251 CG PRO A 16 -10.356 2.324 -10.109 1.00 0.00 C ATOM 252 CD PRO A 16 -9.496 2.725 -8.933 1.00 0.00 C ATOM 0 HA PRO A 16 -12.219 4.535 -8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.419 2.732 -10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.368 4.126 -10.678 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.658 1.280 -10.030 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.806 2.426 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.068 1.854 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.663 3.355 -9.245 1.00 0.00 H new ATOM 260 N THR A 17 -12.238 1.855 -6.981 1.00 0.00 N ATOM 261 CA THR A 17 -12.956 0.791 -6.330 1.00 0.00 C ATOM 262 C THR A 17 -12.745 0.892 -4.812 1.00 0.00 C ATOM 263 O THR A 17 -11.648 1.234 -4.366 1.00 0.00 O ATOM 264 CB THR A 17 -12.418 -0.548 -6.870 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.731 -0.682 -8.264 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.969 -1.727 -6.103 1.00 0.00 C ATOM 0 H THR A 17 -11.308 2.017 -6.595 1.00 0.00 H new ATOM 0 HA THR A 17 -14.025 0.860 -6.531 1.00 0.00 H new ATOM 0 HB THR A 17 -11.336 -0.542 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.917 -0.906 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.564 -2.651 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.685 -1.644 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.056 -1.738 -6.185 1.00 0.00 H new ATOM 274 N PRO A 18 -13.791 0.636 -3.999 1.00 0.00 N ATOM 275 CA PRO A 18 -13.679 0.690 -2.532 1.00 0.00 C ATOM 276 C PRO A 18 -12.706 -0.363 -1.992 1.00 0.00 C ATOM 277 O PRO A 18 -12.831 -1.550 -2.299 1.00 0.00 O ATOM 278 CB PRO A 18 -15.114 0.422 -2.044 1.00 0.00 C ATOM 279 CG PRO A 18 -15.793 -0.259 -3.186 1.00 0.00 C ATOM 280 CD PRO A 18 -15.157 0.291 -4.436 1.00 0.00 C ATOM 0 HA PRO A 18 -13.282 1.644 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.116 -0.206 -1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.621 1.351 -1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.666 -1.340 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.865 -0.063 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.148 -0.445 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.692 1.164 -4.809 1.00 0.00 H new ATOM 288 N VAL A 19 -11.741 0.079 -1.183 1.00 0.00 N ATOM 289 CA VAL A 19 -10.729 -0.811 -0.608 1.00 0.00 C ATOM 290 C VAL A 19 -11.380 -1.942 0.194 1.00 0.00 C ATOM 291 O VAL A 19 -10.810 -3.020 0.342 1.00 0.00 O ATOM 292 CB VAL A 19 -9.745 -0.029 0.307 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.673 -0.953 0.888 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.103 1.127 -0.456 1.00 0.00 C ATOM 0 H VAL A 19 -11.639 1.056 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.171 -1.241 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.318 0.381 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.001 -0.376 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.149 -1.735 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.105 -1.407 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.418 1.661 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.553 0.737 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.879 1.809 -0.803 1.00 0.00 H new ATOM 304 N ASP A 20 -12.590 -1.692 0.686 1.00 0.00 N ATOM 305 CA ASP A 20 -13.328 -2.676 1.481 1.00 0.00 C ATOM 306 C ASP A 20 -13.534 -3.991 0.717 1.00 0.00 C ATOM 307 O ASP A 20 -13.763 -5.040 1.325 1.00 0.00 O ATOM 308 CB ASP A 20 -14.684 -2.096 1.908 1.00 0.00 C ATOM 309 CG ASP A 20 -15.449 -3.014 2.854 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.140 -3.015 4.066 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.371 -3.725 2.397 1.00 0.00 O ATOM 0 H ASP A 20 -13.085 -0.811 0.548 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.732 -2.900 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.525 -1.133 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.290 -1.910 1.021 1.00 0.00 H new ATOM 316 N THR A 21 -13.452 -3.934 -0.614 1.00 0.00 N ATOM 317 CA THR A 21 -13.644 -5.122 -1.447 1.00 0.00 C ATOM 318 C THR A 21 -12.356 -5.954 -1.524 1.00 0.00 C ATOM 319 O THR A 21 -12.400 -7.162 -1.772 1.00 0.00 O ATOM 320 CB THR A 21 -14.105 -4.748 -2.881 1.00 0.00 C ATOM 321 OG1 THR A 21 -14.651 -5.899 -3.551 1.00 0.00 O ATOM 322 CG2 THR A 21 -12.951 -4.195 -3.714 1.00 0.00 C ATOM 0 H THR A 21 -13.255 -3.080 -1.136 1.00 0.00 H new ATOM 0 HA THR A 21 -14.427 -5.716 -0.976 1.00 0.00 H new ATOM 0 HB THR A 21 -14.870 -3.978 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.938 -5.647 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.310 -3.944 -4.712 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.553 -3.300 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.165 -4.946 -3.790 1.00 0.00 H new ATOM 330 N ILE A 22 -11.212 -5.301 -1.322 1.00 0.00 N ATOM 331 CA ILE A 22 -9.918 -5.983 -1.341 1.00 0.00 C ATOM 332 C ILE A 22 -9.427 -6.204 0.088 1.00 0.00 C ATOM 333 O ILE A 22 -10.106 -5.832 1.048 1.00 0.00 O ATOM 334 CB ILE A 22 -8.854 -5.200 -2.165 1.00 0.00 C ATOM 335 CG1 ILE A 22 -8.694 -3.763 -1.640 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.219 -5.197 -3.652 1.00 0.00 C ATOM 337 CD1 ILE A 22 -7.695 -2.927 -2.418 1.00 0.00 C ATOM 0 H ILE A 22 -11.155 -4.298 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.059 -6.946 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.896 -5.707 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.665 -3.268 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.384 -3.802 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.463 -4.645 -4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.264 -6.223 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.190 -4.721 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.641 -1.928 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.713 -3.397 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.013 -2.855 -3.458 1.00 0.00 H new ATOM 349 N ALA A 23 -8.257 -6.817 0.234 1.00 0.00 N ATOM 350 CA ALA A 23 -7.735 -7.167 1.551 1.00 0.00 C ATOM 351 C ALA A 23 -6.237 -7.429 1.490 1.00 0.00 C ATOM 352 O ALA A 23 -5.643 -7.428 0.411 1.00 0.00 O ATOM 353 CB ALA A 23 -8.465 -8.390 2.099 1.00 0.00 C ATOM 0 H ALA A 23 -7.652 -7.082 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.905 -6.324 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.067 -8.641 3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.529 -8.171 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.321 -9.233 1.423 1.00 0.00 H new ATOM 359 N ASP A 24 -5.640 -7.669 2.654 1.00 0.00 N ATOM 360 CA ASP A 24 -4.213 -7.965 2.757 1.00 0.00 C ATOM 361 C ASP A 24 -3.896 -9.246 2.002 1.00 0.00 C ATOM 362 O ASP A 24 -2.839 -9.377 1.378 1.00 0.00 O ATOM 363 CB ASP A 24 -3.801 -8.127 4.230 1.00 0.00 C ATOM 364 CG ASP A 24 -4.110 -6.901 5.077 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.304 -6.562 5.222 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.167 -6.288 5.620 1.00 0.00 O ATOM 0 H ASP A 24 -6.129 -7.664 3.549 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.656 -7.135 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.315 -8.991 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.732 -8.336 4.281 1.00 0.00 H new ATOM 371 N GLU A 25 -4.834 -10.187 2.071 1.00 0.00 N ATOM 372 CA GLU A 25 -4.692 -11.497 1.439 1.00 0.00 C ATOM 373 C GLU A 25 -4.984 -11.424 -0.059 1.00 0.00 C ATOM 374 O GLU A 25 -4.641 -12.340 -0.808 1.00 0.00 O ATOM 375 CB GLU A 25 -5.671 -12.479 2.087 1.00 0.00 C ATOM 376 CG GLU A 25 -5.525 -12.594 3.598 1.00 0.00 C ATOM 377 CD GLU A 25 -6.744 -13.228 4.244 1.00 0.00 C ATOM 378 OE1 GLU A 25 -6.811 -14.473 4.311 1.00 0.00 O ATOM 379 OE2 GLU A 25 -7.657 -12.482 4.663 1.00 0.00 O ATOM 0 H GLU A 25 -5.716 -10.063 2.568 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.664 -11.832 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.689 -12.168 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.529 -13.464 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.641 -13.188 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.365 -11.603 4.023 1.00 0.00 H new ATOM 386 N ALA A 26 -5.594 -10.327 -0.487 1.00 0.00 N ATOM 387 CA ALA A 26 -6.065 -10.192 -1.861 1.00 0.00 C ATOM 388 C ALA A 26 -5.085 -9.394 -2.710 1.00 0.00 C ATOM 389 O ALA A 26 -4.126 -8.812 -2.195 1.00 0.00 O ATOM 390 CB ALA A 26 -7.441 -9.535 -1.876 1.00 0.00 C ATOM 0 H ALA A 26 -5.776 -9.513 0.100 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.139 -11.190 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.786 -9.437 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.144 -10.150 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.378 -8.547 -1.419 1.00 0.00 H new ATOM 396 N ASP A 27 -5.332 -9.377 -4.013 1.00 0.00 N ATOM 397 CA ASP A 27 -4.501 -8.634 -4.951 1.00 0.00 C ATOM 398 C ASP A 27 -5.060 -7.227 -5.131 1.00 0.00 C ATOM 399 O ASP A 27 -6.126 -7.046 -5.724 1.00 0.00 O ATOM 400 CB ASP A 27 -4.430 -9.363 -6.300 1.00 0.00 C ATOM 401 CG ASP A 27 -3.798 -10.743 -6.185 1.00 0.00 C ATOM 402 OD1 ASP A 27 -4.526 -11.708 -5.870 1.00 0.00 O ATOM 403 OD2 ASP A 27 -2.573 -10.870 -6.406 1.00 0.00 O ATOM 0 H ASP A 27 -6.109 -9.875 -4.448 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.490 -8.564 -4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.435 -9.460 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.856 -8.762 -7.004 1.00 0.00 H new ATOM 408 N LEU A 28 -4.342 -6.237 -4.611 1.00 0.00 N ATOM 409 CA LEU A 28 -4.819 -4.852 -4.600 1.00 0.00 C ATOM 410 C LEU A 28 -4.972 -4.299 -6.017 1.00 0.00 C ATOM 411 O LEU A 28 -5.918 -3.560 -6.304 1.00 0.00 O ATOM 412 CB LEU A 28 -3.875 -3.950 -3.787 1.00 0.00 C ATOM 413 CG LEU A 28 -3.906 -4.153 -2.258 1.00 0.00 C ATOM 414 CD1 LEU A 28 -3.337 -5.514 -1.861 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.153 -3.026 -1.553 1.00 0.00 C ATOM 0 H LEU A 28 -3.422 -6.366 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.800 -4.855 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.856 -4.114 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.122 -2.910 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.948 -4.127 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.375 -5.622 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.927 -6.304 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.303 -5.588 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.185 -3.185 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.116 -3.017 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.620 -2.071 -1.793 1.00 0.00 H new ATOM 427 N TYR A 29 -4.045 -4.665 -6.899 1.00 0.00 N ATOM 428 CA TYR A 29 -4.057 -4.163 -8.274 1.00 0.00 C ATOM 429 C TYR A 29 -5.330 -4.582 -9.010 1.00 0.00 C ATOM 430 O TYR A 29 -5.763 -3.901 -9.941 1.00 0.00 O ATOM 431 CB TYR A 29 -2.803 -4.623 -9.040 1.00 0.00 C ATOM 432 CG TYR A 29 -2.598 -6.128 -9.090 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.165 -6.900 -10.101 1.00 0.00 C ATOM 434 CD2 TYR A 29 -1.824 -6.775 -8.132 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.969 -8.266 -10.152 1.00 0.00 C ATOM 436 CE2 TYR A 29 -1.622 -8.140 -8.180 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.197 -8.880 -9.189 1.00 0.00 C ATOM 438 OH TYR A 29 -1.996 -10.241 -9.233 1.00 0.00 O ATOM 0 H TYR A 29 -3.279 -5.304 -6.689 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.045 -3.074 -8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.860 -4.245 -10.061 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.927 -4.167 -8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.769 -6.422 -10.858 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.373 -6.200 -7.337 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.418 -8.850 -10.942 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.016 -8.625 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.151 -10.623 -8.344 1.00 0.00 H new ATOM 448 N ALA A 30 -5.944 -5.677 -8.561 1.00 0.00 N ATOM 449 CA ALA A 30 -7.163 -6.196 -9.180 1.00 0.00 C ATOM 450 C ALA A 30 -8.304 -5.179 -9.089 1.00 0.00 C ATOM 451 O ALA A 30 -9.188 -5.145 -9.944 1.00 0.00 O ATOM 452 CB ALA A 30 -7.568 -7.515 -8.527 1.00 0.00 C ATOM 0 H ALA A 30 -5.614 -6.224 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.958 -6.376 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.477 -7.890 -8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.767 -8.244 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.749 -7.354 -7.464 1.00 0.00 H new ATOM 458 N ALA A 31 -8.267 -4.343 -8.052 1.00 0.00 N ATOM 459 CA ALA A 31 -9.287 -3.312 -7.852 1.00 0.00 C ATOM 460 C ALA A 31 -9.099 -2.159 -8.837 1.00 0.00 C ATOM 461 O ALA A 31 -9.984 -1.314 -9.006 1.00 0.00 O ATOM 462 CB ALA A 31 -9.242 -2.799 -6.417 1.00 0.00 C ATOM 0 H ALA A 31 -7.541 -4.359 -7.336 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.265 -3.757 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.005 -2.033 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.429 -3.624 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.260 -2.373 -6.214 1.00 0.00 H new ATOM 468 N GLY A 32 -7.944 -2.139 -9.490 1.00 0.00 N ATOM 469 CA GLY A 32 -7.631 -1.087 -10.441 1.00 0.00 C ATOM 470 C GLY A 32 -6.635 -0.092 -9.881 1.00 0.00 C ATOM 471 O GLY A 32 -6.797 1.122 -10.038 1.00 0.00 O ATOM 0 H GLY A 32 -7.211 -2.839 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.228 -1.530 -11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.547 -0.566 -10.719 1.00 0.00 H new ATOM 475 N LEU A 33 -5.605 -0.607 -9.209 1.00 0.00 N ATOM 476 CA LEU A 33 -4.565 0.235 -8.625 1.00 0.00 C ATOM 477 C LEU A 33 -3.888 1.062 -9.715 1.00 0.00 C ATOM 478 O LEU A 33 -3.164 0.528 -10.559 1.00 0.00 O ATOM 479 CB LEU A 33 -3.529 -0.624 -7.884 1.00 0.00 C ATOM 480 CG LEU A 33 -2.417 0.157 -7.159 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.003 1.093 -6.104 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.407 -0.803 -6.530 1.00 0.00 C ATOM 0 H LEU A 33 -5.470 -1.606 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.027 0.911 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.051 -1.242 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.065 -1.302 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.897 0.767 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.196 1.632 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.675 1.806 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.557 0.510 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.629 -0.232 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.915 -1.444 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.956 -1.418 -7.309 1.00 0.00 H new ATOM 494 N SER A 34 -4.146 2.362 -9.699 1.00 0.00 N ATOM 495 CA SER A 34 -3.623 3.271 -10.709 1.00 0.00 C ATOM 496 C SER A 34 -2.333 3.926 -10.219 1.00 0.00 C ATOM 497 O SER A 34 -2.132 4.076 -9.012 1.00 0.00 O ATOM 498 CB SER A 34 -4.681 4.330 -11.036 1.00 0.00 C ATOM 499 OG SER A 34 -5.904 3.714 -11.407 1.00 0.00 O ATOM 0 H SER A 34 -4.721 2.815 -8.989 1.00 0.00 H new ATOM 0 HA SER A 34 -3.391 2.711 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.839 4.974 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.328 4.967 -11.847 1.00 0.00 H new ATOM 0 HG SER A 34 -6.569 4.404 -11.611 1.00 0.00 H new ATOM 505 N SER A 35 -1.472 4.306 -11.161 1.00 0.00 N ATOM 506 CA SER A 35 -0.173 4.902 -10.848 1.00 0.00 C ATOM 507 C SER A 35 -0.308 6.053 -9.845 1.00 0.00 C ATOM 508 O SER A 35 0.406 6.099 -8.842 1.00 0.00 O ATOM 509 CB SER A 35 0.493 5.381 -12.146 1.00 0.00 C ATOM 510 OG SER A 35 -0.430 6.085 -12.966 1.00 0.00 O ATOM 0 H SER A 35 -1.654 4.210 -12.160 1.00 0.00 H new ATOM 0 HA SER A 35 0.454 4.144 -10.380 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.338 6.027 -11.908 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.890 4.525 -12.692 1.00 0.00 H new ATOM 0 HG SER A 35 0.019 6.381 -13.785 1.00 0.00 H new ATOM 516 N PHE A 36 -1.244 6.963 -10.107 1.00 0.00 N ATOM 517 CA PHE A 36 -1.484 8.102 -9.221 1.00 0.00 C ATOM 518 C PHE A 36 -1.834 7.630 -7.810 1.00 0.00 C ATOM 519 O PHE A 36 -1.405 8.220 -6.817 1.00 0.00 O ATOM 520 CB PHE A 36 -2.616 8.981 -9.772 1.00 0.00 C ATOM 521 CG PHE A 36 -2.325 9.566 -11.132 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.562 10.718 -11.258 1.00 0.00 C ATOM 523 CD2 PHE A 36 -2.817 8.965 -12.283 1.00 0.00 C ATOM 524 CE1 PHE A 36 -1.296 11.258 -12.500 1.00 0.00 C ATOM 525 CE2 PHE A 36 -2.552 9.502 -13.528 1.00 0.00 C ATOM 526 CZ PHE A 36 -1.792 10.648 -13.638 1.00 0.00 C ATOM 0 H PHE A 36 -1.850 6.934 -10.927 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.568 8.690 -9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.529 8.388 -9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.807 9.793 -9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.171 11.198 -10.373 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.413 8.068 -12.204 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.701 12.156 -12.583 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.940 9.024 -14.416 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.585 11.068 -14.611 1.00 0.00 H new ATOM 536 N ALA A 37 -2.600 6.546 -7.733 1.00 0.00 N ATOM 537 CA ALA A 37 -3.058 6.010 -6.458 1.00 0.00 C ATOM 538 C ALA A 37 -1.900 5.411 -5.667 1.00 0.00 C ATOM 539 O ALA A 37 -1.770 5.643 -4.463 1.00 0.00 O ATOM 540 CB ALA A 37 -4.145 4.962 -6.683 1.00 0.00 C ATOM 0 H ALA A 37 -2.918 6.019 -8.546 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.476 6.832 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.477 4.570 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.989 5.418 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.746 4.148 -7.288 1.00 0.00 H new ATOM 546 N SER A 38 -1.055 4.651 -6.354 1.00 0.00 N ATOM 547 CA SER A 38 0.044 3.952 -5.707 1.00 0.00 C ATOM 548 C SER A 38 1.127 4.929 -5.248 1.00 0.00 C ATOM 549 O SER A 38 1.720 4.755 -4.182 1.00 0.00 O ATOM 550 CB SER A 38 0.626 2.898 -6.658 1.00 0.00 C ATOM 551 OG SER A 38 0.904 3.457 -7.932 1.00 0.00 O ATOM 0 H SER A 38 -1.112 4.504 -7.362 1.00 0.00 H new ATOM 0 HA SER A 38 -0.341 3.450 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.540 2.484 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.078 2.073 -6.765 1.00 0.00 H new ATOM 0 HG SER A 38 0.752 4.425 -7.905 1.00 0.00 H new ATOM 557 N VAL A 39 1.376 5.960 -6.050 1.00 0.00 N ATOM 558 CA VAL A 39 2.376 6.968 -5.706 1.00 0.00 C ATOM 559 C VAL A 39 1.933 7.779 -4.490 1.00 0.00 C ATOM 560 O VAL A 39 2.695 7.942 -3.536 1.00 0.00 O ATOM 561 CB VAL A 39 2.671 7.919 -6.896 1.00 0.00 C ATOM 562 CG1 VAL A 39 3.649 9.021 -6.488 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.213 7.135 -8.090 1.00 0.00 C ATOM 0 H VAL A 39 0.902 6.120 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 39 3.296 6.436 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 39 1.734 8.391 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.838 9.673 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.221 9.604 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.586 8.572 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.414 7.820 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.136 6.630 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.477 6.395 -8.404 1.00 0.00 H new ATOM 573 N GLN A 40 0.693 8.260 -4.510 1.00 0.00 N ATOM 574 CA GLN A 40 0.163 9.051 -3.399 1.00 0.00 C ATOM 575 C GLN A 40 0.172 8.225 -2.112 1.00 0.00 C ATOM 576 O GLN A 40 0.366 8.755 -1.013 1.00 0.00 O ATOM 577 CB GLN A 40 -1.257 9.543 -3.717 1.00 0.00 C ATOM 578 CG GLN A 40 -1.890 10.412 -2.628 1.00 0.00 C ATOM 579 CD GLN A 40 -1.191 11.754 -2.424 1.00 0.00 C ATOM 580 OE1 GLN A 40 0.019 11.884 -2.612 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.956 12.763 -2.035 1.00 0.00 N ATOM 0 H GLN A 40 0.038 8.118 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 40 0.801 9.923 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.231 10.111 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.897 8.678 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.935 10.592 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.881 9.862 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.955 12.619 -1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.546 13.684 -1.882 1.00 0.00 H new ATOM 590 N LEU A 41 -0.025 6.919 -2.271 1.00 0.00 N ATOM 591 CA LEU A 41 0.072 5.969 -1.166 1.00 0.00 C ATOM 592 C LEU A 41 1.438 6.094 -0.479 1.00 0.00 C ATOM 593 O LEU A 41 1.536 6.032 0.745 1.00 0.00 O ATOM 594 CB LEU A 41 -0.179 4.534 -1.700 1.00 0.00 C ATOM 595 CG LEU A 41 0.819 3.434 -1.269 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.639 3.049 0.200 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.676 2.202 -2.161 1.00 0.00 C ATOM 0 H LEU A 41 -0.256 6.490 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.688 6.190 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.177 4.227 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.186 4.575 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 41 1.824 3.841 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.358 2.274 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.802 3.925 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.372 2.674 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.386 1.438 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.338 1.811 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.878 2.477 -3.196 1.00 0.00 H new ATOM 609 N MET A 42 2.482 6.304 -1.276 1.00 0.00 N ATOM 610 CA MET A 42 3.846 6.382 -0.758 1.00 0.00 C ATOM 611 C MET A 42 4.029 7.641 0.086 1.00 0.00 C ATOM 612 O MET A 42 4.476 7.573 1.232 1.00 0.00 O ATOM 613 CB MET A 42 4.853 6.375 -1.919 1.00 0.00 C ATOM 614 CG MET A 42 4.575 5.294 -2.953 1.00 0.00 C ATOM 615 SD MET A 42 5.760 5.297 -4.313 1.00 0.00 S ATOM 616 CE MET A 42 5.027 4.075 -5.401 1.00 0.00 C ATOM 0 H MET A 42 2.410 6.424 -2.286 1.00 0.00 H new ATOM 0 HA MET A 42 4.026 5.512 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.838 7.349 -2.409 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.857 6.235 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.593 4.319 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.571 5.432 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.402 4.219 -6.414 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.290 3.075 -5.055 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.943 4.187 -5.396 1.00 0.00 H new ATOM 626 N LEU A 43 3.653 8.784 -0.486 1.00 0.00 N ATOM 627 CA LEU A 43 3.823 10.081 0.174 1.00 0.00 C ATOM 628 C LEU A 43 3.138 10.103 1.541 1.00 0.00 C ATOM 629 O LEU A 43 3.742 10.497 2.542 1.00 0.00 O ATOM 630 CB LEU A 43 3.272 11.224 -0.702 1.00 0.00 C ATOM 631 CG LEU A 43 4.145 11.635 -1.906 1.00 0.00 C ATOM 632 CD1 LEU A 43 4.270 10.500 -2.919 1.00 0.00 C ATOM 633 CD2 LEU A 43 3.584 12.893 -2.574 1.00 0.00 C ATOM 0 H LEU A 43 3.226 8.839 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 43 4.893 10.231 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.291 10.929 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.124 12.100 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 43 5.144 11.856 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.891 10.824 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.728 9.634 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.280 10.230 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.213 13.167 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.570 12.698 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.568 13.711 -1.854 1.00 0.00 H new ATOM 645 N GLY A 44 1.883 9.666 1.582 1.00 0.00 N ATOM 646 CA GLY A 44 1.117 9.724 2.814 1.00 0.00 C ATOM 647 C GLY A 44 1.591 8.715 3.845 1.00 0.00 C ATOM 648 O GLY A 44 1.504 8.960 5.050 1.00 0.00 O ATOM 0 H GLY A 44 1.383 9.273 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.187 10.727 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.065 9.544 2.592 1.00 0.00 H new ATOM 652 N ILE A 45 2.084 7.575 3.372 1.00 0.00 N ATOM 653 CA ILE A 45 2.558 6.514 4.256 1.00 0.00 C ATOM 654 C ILE A 45 3.930 6.857 4.845 1.00 0.00 C ATOM 655 O ILE A 45 4.242 6.463 5.974 1.00 0.00 O ATOM 656 CB ILE A 45 2.571 5.137 3.522 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.216 4.429 3.702 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.719 4.242 3.989 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.873 4.129 5.146 1.00 0.00 C ATOM 0 H ILE A 45 2.166 7.361 2.378 1.00 0.00 H new ATOM 0 HA ILE A 45 1.860 6.432 5.089 1.00 0.00 H new ATOM 0 HB ILE A 45 2.734 5.331 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.431 5.052 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.226 3.496 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.685 3.296 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.670 4.738 3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.622 4.054 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.095 3.630 5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.637 3.480 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.830 5.060 5.711 1.00 0.00 H new ATOM 671 N GLU A 46 4.730 7.614 4.094 1.00 0.00 N ATOM 672 CA GLU A 46 6.033 8.069 4.578 1.00 0.00 C ATOM 673 C GLU A 46 5.867 8.847 5.881 1.00 0.00 C ATOM 674 O GLU A 46 6.455 8.510 6.908 1.00 0.00 O ATOM 675 CB GLU A 46 6.720 8.953 3.526 1.00 0.00 C ATOM 676 CG GLU A 46 8.075 9.497 3.968 1.00 0.00 C ATOM 677 CD GLU A 46 8.710 10.410 2.934 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.257 11.564 2.795 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.657 9.979 2.245 1.00 0.00 O ATOM 0 H GLU A 46 4.499 7.924 3.150 1.00 0.00 H new ATOM 0 HA GLU A 46 6.657 7.194 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.852 8.376 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.065 9.790 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.954 10.044 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.747 8.663 4.171 1.00 0.00 H new ATOM 686 N GLU A 47 5.026 9.868 5.827 1.00 0.00 N ATOM 687 CA GLU A 47 4.744 10.706 6.986 1.00 0.00 C ATOM 688 C GLU A 47 3.981 9.920 8.054 1.00 0.00 C ATOM 689 O GLU A 47 4.096 10.204 9.249 1.00 0.00 O ATOM 690 CB GLU A 47 3.953 11.951 6.556 1.00 0.00 C ATOM 691 CG GLU A 47 2.671 11.636 5.792 1.00 0.00 C ATOM 692 CD GLU A 47 1.927 12.881 5.339 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.126 13.423 6.131 1.00 0.00 O ATOM 694 OE2 GLU A 47 2.140 13.326 4.190 1.00 0.00 O ATOM 0 H GLU A 47 4.521 10.140 4.984 1.00 0.00 H new ATOM 0 HA GLU A 47 5.690 11.027 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.702 12.534 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.591 12.577 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.914 11.028 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.015 11.038 6.425 1.00 0.00 H new ATOM 701 N ALA A 48 3.201 8.933 7.609 1.00 0.00 N ATOM 702 CA ALA A 48 2.316 8.177 8.497 1.00 0.00 C ATOM 703 C ALA A 48 3.071 7.495 9.641 1.00 0.00 C ATOM 704 O ALA A 48 2.684 7.643 10.806 1.00 0.00 O ATOM 705 CB ALA A 48 1.522 7.146 7.702 1.00 0.00 C ATOM 0 H ALA A 48 3.165 8.637 6.633 1.00 0.00 H new ATOM 0 HA ALA A 48 1.631 8.895 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.869 6.592 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.920 7.653 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.209 6.455 7.213 1.00 0.00 H new ATOM 711 N PHE A 49 4.145 6.755 9.340 1.00 0.00 N ATOM 712 CA PHE A 49 4.874 6.052 10.403 1.00 0.00 C ATOM 713 C PHE A 49 6.379 6.338 10.402 1.00 0.00 C ATOM 714 O PHE A 49 6.984 6.386 11.475 1.00 0.00 O ATOM 715 CB PHE A 49 4.608 4.534 10.352 1.00 0.00 C ATOM 716 CG PHE A 49 5.221 3.808 9.176 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.499 3.270 9.267 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.516 3.644 7.992 1.00 0.00 C ATOM 719 CE1 PHE A 49 7.056 2.587 8.205 1.00 0.00 C ATOM 720 CE2 PHE A 49 5.074 2.962 6.927 1.00 0.00 C ATOM 721 CZ PHE A 49 6.345 2.435 7.034 1.00 0.00 C ATOM 0 H PHE A 49 4.520 6.629 8.400 1.00 0.00 H new ATOM 0 HA PHE A 49 4.486 6.447 11.342 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.985 4.085 11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.530 4.371 10.336 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.063 3.388 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.521 4.054 7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.049 2.172 8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.515 2.842 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.782 1.904 6.201 1.00 0.00 H new ATOM 731 N ASP A 50 6.989 6.546 9.226 1.00 0.00 N ATOM 732 CA ASP A 50 8.441 6.791 9.158 1.00 0.00 C ATOM 733 C ASP A 50 8.918 7.026 7.723 1.00 0.00 C ATOM 734 O ASP A 50 9.332 8.134 7.377 1.00 0.00 O ATOM 735 CB ASP A 50 9.225 5.621 9.785 1.00 0.00 C ATOM 736 CG ASP A 50 10.713 5.917 9.937 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.061 6.914 10.610 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.539 5.161 9.393 1.00 0.00 O ATOM 0 H ASP A 50 6.513 6.550 8.324 1.00 0.00 H new ATOM 0 HA ASP A 50 8.635 7.699 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.804 5.391 10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.098 4.732 9.167 1.00 0.00 H new ATOM 743 N ILE A 51 8.857 5.987 6.886 1.00 0.00 N ATOM 744 CA ILE A 51 9.347 6.073 5.502 1.00 0.00 C ATOM 745 C ILE A 51 8.358 5.441 4.526 1.00 0.00 C ATOM 746 O ILE A 51 7.417 4.758 4.936 1.00 0.00 O ATOM 747 CB ILE A 51 10.741 5.397 5.304 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.666 3.853 5.407 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.763 5.957 6.290 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.219 3.314 6.755 1.00 0.00 C ATOM 0 H ILE A 51 8.474 5.076 7.139 1.00 0.00 H new ATOM 0 HA ILE A 51 9.451 7.138 5.296 1.00 0.00 H new ATOM 0 HB ILE A 51 11.068 5.635 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.981 3.487 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.649 3.442 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.725 5.470 6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.869 7.030 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.425 5.771 7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.200 2.225 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.915 3.642 7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.221 3.688 6.984 1.00 0.00 H new ATOM 762 N GLU A 52 8.581 5.683 3.234 1.00 0.00 N ATOM 763 CA GLU A 52 7.767 5.090 2.177 1.00 0.00 C ATOM 764 C GLU A 52 8.504 3.931 1.507 1.00 0.00 C ATOM 765 O GLU A 52 9.695 3.717 1.745 1.00 0.00 O ATOM 766 CB GLU A 52 7.320 6.152 1.148 1.00 0.00 C ATOM 767 CG GLU A 52 8.386 7.174 0.743 1.00 0.00 C ATOM 768 CD GLU A 52 9.445 6.628 -0.203 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.158 6.513 -1.414 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.577 6.342 0.250 1.00 0.00 O ATOM 0 H GLU A 52 9.326 6.291 2.894 1.00 0.00 H new ATOM 0 HA GLU A 52 6.864 4.687 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.975 5.639 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.464 6.689 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.896 8.025 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.876 7.547 1.642 1.00 0.00 H new ATOM 777 N PHE A 53 7.773 3.173 0.697 1.00 0.00 N ATOM 778 CA PHE A 53 8.295 1.960 0.076 1.00 0.00 C ATOM 779 C PHE A 53 9.454 2.265 -0.882 1.00 0.00 C ATOM 780 O PHE A 53 9.307 3.063 -1.809 1.00 0.00 O ATOM 781 CB PHE A 53 7.165 1.235 -0.663 1.00 0.00 C ATOM 782 CG PHE A 53 6.005 0.882 0.235 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.167 -0.022 1.277 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.757 1.463 0.048 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.110 -0.341 2.107 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.700 1.148 0.878 1.00 0.00 C ATOM 787 CZ PHE A 53 3.877 0.244 1.908 1.00 0.00 C ATOM 0 H PHE A 53 6.805 3.381 0.453 1.00 0.00 H new ATOM 0 HA PHE A 53 8.688 1.316 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.808 1.865 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.559 0.324 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.131 -0.481 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.612 2.169 -0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.249 -1.048 2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.735 1.608 0.722 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.050 -0.004 2.557 1.00 0.00 H new ATOM 797 N PRO A 54 10.623 1.624 -0.666 1.00 0.00 N ATOM 798 CA PRO A 54 11.809 1.827 -1.507 1.00 0.00 C ATOM 799 C PRO A 54 11.658 1.171 -2.884 1.00 0.00 C ATOM 800 O PRO A 54 10.918 0.193 -3.040 1.00 0.00 O ATOM 801 CB PRO A 54 12.930 1.159 -0.699 1.00 0.00 C ATOM 802 CG PRO A 54 12.237 0.090 0.073 1.00 0.00 C ATOM 803 CD PRO A 54 10.880 0.652 0.418 1.00 0.00 C ATOM 0 HA PRO A 54 11.994 2.880 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.699 0.745 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.423 1.872 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.145 -0.822 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.795 -0.167 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.118 -0.127 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.882 1.133 1.396 1.00 0.00 H new ATOM 811 N ASP A 55 12.383 1.702 -3.867 1.00 0.00 N ATOM 812 CA ASP A 55 12.272 1.250 -5.257 1.00 0.00 C ATOM 813 C ASP A 55 12.577 -0.243 -5.387 1.00 0.00 C ATOM 814 O ASP A 55 12.088 -0.904 -6.308 1.00 0.00 O ATOM 815 CB ASP A 55 13.208 2.057 -6.166 1.00 0.00 C ATOM 816 CG ASP A 55 14.678 1.746 -5.931 1.00 0.00 C ATOM 817 OD1 ASP A 55 15.228 2.191 -4.904 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.291 1.056 -6.772 1.00 0.00 O ATOM 0 H ASP A 55 13.060 2.452 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 55 11.242 1.415 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.961 1.851 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.037 3.121 -6.002 1.00 0.00 H new ATOM 823 N ASN A 56 13.377 -0.765 -4.456 1.00 0.00 N ATOM 824 CA ASN A 56 13.735 -2.187 -4.435 1.00 0.00 C ATOM 825 C ASN A 56 12.493 -3.074 -4.526 1.00 0.00 C ATOM 826 O ASN A 56 12.432 -3.990 -5.348 1.00 0.00 O ATOM 827 CB ASN A 56 14.520 -2.528 -3.155 1.00 0.00 C ATOM 828 CG ASN A 56 15.929 -1.960 -3.156 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.147 -0.810 -2.776 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.896 -2.771 -3.562 1.00 0.00 N ATOM 0 H ASN A 56 13.793 -0.221 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 56 14.363 -2.380 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.979 -2.143 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.570 -3.611 -3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.864 -2.448 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.672 -3.718 -3.869 1.00 0.00 H new ATOM 837 N LEU A 57 11.497 -2.787 -3.692 1.00 0.00 N ATOM 838 CA LEU A 57 10.279 -3.596 -3.645 1.00 0.00 C ATOM 839 C LEU A 57 9.128 -2.910 -4.383 1.00 0.00 C ATOM 840 O LEU A 57 8.054 -3.490 -4.551 1.00 0.00 O ATOM 841 CB LEU A 57 9.903 -3.916 -2.182 1.00 0.00 C ATOM 842 CG LEU A 57 9.780 -2.709 -1.224 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.487 -1.933 -1.459 1.00 0.00 C ATOM 844 CD2 LEU A 57 9.877 -3.161 0.232 1.00 0.00 C ATOM 0 H LEU A 57 11.508 -2.002 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 57 10.473 -4.538 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.953 -4.450 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.652 -4.598 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 57 10.612 -2.038 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.436 -1.092 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.467 -1.562 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.633 -2.590 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.788 -2.295 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.074 -3.865 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.839 -3.646 0.399 1.00 0.00 H new ATOM 856 N LEU A 58 9.368 -1.681 -4.832 1.00 0.00 N ATOM 857 CA LEU A 58 8.347 -0.889 -5.519 1.00 0.00 C ATOM 858 C LEU A 58 7.908 -1.593 -6.806 1.00 0.00 C ATOM 859 O LEU A 58 6.715 -1.727 -7.082 1.00 0.00 O ATOM 860 CB LEU A 58 8.898 0.519 -5.822 1.00 0.00 C ATOM 861 CG LEU A 58 7.858 1.648 -5.995 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.555 3.002 -6.114 1.00 0.00 C ATOM 863 CD2 LEU A 58 6.958 1.409 -7.208 1.00 0.00 C ATOM 0 H LEU A 58 10.266 -1.208 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 58 7.474 -0.789 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.575 0.800 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.494 0.463 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 58 7.225 1.649 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.808 3.786 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.137 3.192 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.218 2.995 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.240 2.225 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.568 1.364 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.423 0.467 -7.084 1.00 0.00 H new ATOM 875 N ASN A 59 8.886 -2.057 -7.575 1.00 0.00 N ATOM 876 CA ASN A 59 8.622 -2.722 -8.853 1.00 0.00 C ATOM 877 C ASN A 59 8.515 -4.235 -8.657 1.00 0.00 C ATOM 878 O ASN A 59 8.541 -4.999 -9.624 1.00 0.00 O ATOM 879 CB ASN A 59 9.748 -2.406 -9.855 1.00 0.00 C ATOM 880 CG ASN A 59 9.989 -0.914 -10.043 1.00 0.00 C ATOM 881 OD1 ASN A 59 11.119 -0.485 -10.278 1.00 0.00 O ATOM 882 ND2 ASN A 59 8.935 -0.112 -9.955 1.00 0.00 N ATOM 0 H ASN A 59 9.875 -1.986 -7.337 1.00 0.00 H new ATOM 0 HA ASN A 59 7.676 -2.351 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.671 -2.875 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.502 -2.851 -10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.047 0.894 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.013 -0.501 -9.759 1.00 0.00 H new ATOM 889 N ARG A 60 8.366 -4.657 -7.405 1.00 0.00 N ATOM 890 CA ARG A 60 8.401 -6.074 -7.055 1.00 0.00 C ATOM 891 C ARG A 60 6.980 -6.622 -6.877 1.00 0.00 C ATOM 892 O ARG A 60 6.011 -5.859 -6.810 1.00 0.00 O ATOM 893 CB ARG A 60 9.209 -6.256 -5.758 1.00 0.00 C ATOM 894 CG ARG A 60 9.902 -7.608 -5.614 1.00 0.00 C ATOM 895 CD ARG A 60 11.011 -7.791 -6.650 1.00 0.00 C ATOM 896 NE ARG A 60 11.933 -8.862 -6.274 1.00 0.00 N ATOM 897 CZ ARG A 60 12.925 -9.309 -7.046 1.00 0.00 C ATOM 898 NH1 ARG A 60 13.086 -8.840 -8.276 1.00 0.00 N ATOM 899 NH2 ARG A 60 13.754 -10.236 -6.584 1.00 0.00 N ATOM 0 H ARG A 60 8.219 -4.034 -6.611 1.00 0.00 H new ATOM 0 HA ARG A 60 8.879 -6.629 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.963 -5.471 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.541 -6.115 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.322 -7.696 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.168 -8.406 -5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.569 -8.016 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.563 -6.858 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 60 11.809 -9.297 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.448 -8.131 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.847 -9.188 -8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.632 -10.605 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.513 -10.580 -7.172 1.00 0.00 H new ATOM 913 N LYS A 61 6.868 -7.946 -6.793 1.00 0.00 N ATOM 914 CA LYS A 61 5.584 -8.620 -6.578 1.00 0.00 C ATOM 915 C LYS A 61 5.011 -8.302 -5.193 1.00 0.00 C ATOM 916 O LYS A 61 3.875 -8.656 -4.889 1.00 0.00 O ATOM 917 CB LYS A 61 5.749 -10.137 -6.741 1.00 0.00 C ATOM 918 CG LYS A 61 6.732 -10.766 -5.751 1.00 0.00 C ATOM 919 CD LYS A 61 6.871 -12.272 -5.971 1.00 0.00 C ATOM 920 CE LYS A 61 7.879 -12.898 -5.013 1.00 0.00 C ATOM 921 NZ LYS A 61 8.081 -14.346 -5.291 1.00 0.00 N ATOM 0 H LYS A 61 7.661 -8.583 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 61 4.883 -8.251 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.776 -10.613 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.086 -10.349 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.708 -10.291 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.393 -10.577 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.900 -12.749 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.181 -12.461 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.832 -12.376 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.534 -12.770 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.773 -14.735 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.177 -14.849 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.435 -14.467 -6.261 1.00 0.00 H new ATOM 935 N SER A 62 5.812 -7.643 -4.360 1.00 0.00 N ATOM 936 CA SER A 62 5.419 -7.303 -2.996 1.00 0.00 C ATOM 937 C SER A 62 4.089 -6.528 -2.959 1.00 0.00 C ATOM 938 O SER A 62 3.284 -6.708 -2.044 1.00 0.00 O ATOM 939 CB SER A 62 6.540 -6.481 -2.349 1.00 0.00 C ATOM 940 OG SER A 62 7.808 -7.071 -2.604 1.00 0.00 O ATOM 0 H SER A 62 6.750 -7.330 -4.611 1.00 0.00 H new ATOM 0 HA SER A 62 5.263 -8.226 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.522 -5.463 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.374 -6.414 -1.274 1.00 0.00 H new ATOM 0 HG SER A 62 8.491 -6.628 -2.058 1.00 0.00 H new ATOM 946 N PHE A 63 3.860 -5.685 -3.970 1.00 0.00 N ATOM 947 CA PHE A 63 2.652 -4.849 -4.032 1.00 0.00 C ATOM 948 C PHE A 63 1.412 -5.649 -4.444 1.00 0.00 C ATOM 949 O PHE A 63 0.304 -5.111 -4.462 1.00 0.00 O ATOM 950 CB PHE A 63 2.858 -3.672 -5.000 1.00 0.00 C ATOM 951 CG PHE A 63 3.571 -2.495 -4.383 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.940 -2.525 -4.166 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.864 -1.355 -4.018 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.587 -1.444 -3.596 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.509 -0.274 -3.450 1.00 0.00 C ATOM 956 CZ PHE A 63 4.872 -0.318 -3.240 1.00 0.00 C ATOM 0 H PHE A 63 4.495 -5.561 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 63 2.480 -4.467 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.427 -4.018 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.887 -3.344 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.507 -3.401 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.797 -1.314 -4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.653 -1.481 -3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.947 0.605 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.379 0.527 -2.798 1.00 0.00 H new ATOM 966 N ALA A 64 1.597 -6.925 -4.777 1.00 0.00 N ATOM 967 CA ALA A 64 0.478 -7.783 -5.156 1.00 0.00 C ATOM 968 C ALA A 64 -0.491 -7.939 -3.987 1.00 0.00 C ATOM 969 O ALA A 64 -1.702 -7.764 -4.137 1.00 0.00 O ATOM 970 CB ALA A 64 0.974 -9.149 -5.629 1.00 0.00 C ATOM 0 H ALA A 64 2.507 -7.385 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.050 -7.310 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.122 -9.770 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.625 -9.020 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.529 -9.633 -4.825 1.00 0.00 H new ATOM 976 N SER A 65 0.057 -8.241 -2.817 1.00 0.00 N ATOM 977 CA SER A 65 -0.739 -8.426 -1.612 1.00 0.00 C ATOM 978 C SER A 65 -0.013 -7.843 -0.405 1.00 0.00 C ATOM 979 O SER A 65 1.193 -8.049 -0.239 1.00 0.00 O ATOM 980 CB SER A 65 -1.019 -9.910 -1.387 1.00 0.00 C ATOM 981 OG SER A 65 -1.751 -10.471 -2.461 1.00 0.00 O ATOM 0 H SER A 65 1.060 -8.364 -2.677 1.00 0.00 H new ATOM 0 HA SER A 65 -1.687 -7.904 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.077 -10.445 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.576 -10.039 -0.459 1.00 0.00 H new ATOM 0 HG SER A 65 -2.613 -10.013 -2.544 1.00 0.00 H new ATOM 987 N ILE A 66 -0.758 -7.141 0.443 1.00 0.00 N ATOM 988 CA ILE A 66 -0.191 -6.443 1.590 1.00 0.00 C ATOM 989 C ILE A 66 0.650 -7.366 2.472 1.00 0.00 C ATOM 990 O ILE A 66 1.778 -7.026 2.815 1.00 0.00 O ATOM 991 CB ILE A 66 -1.292 -5.785 2.457 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.960 -4.620 1.702 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.718 -5.314 3.791 1.00 0.00 C ATOM 994 CD1 ILE A 66 -1.017 -3.477 1.377 1.00 0.00 C ATOM 0 H ILE A 66 -1.769 -7.040 0.354 1.00 0.00 H new ATOM 0 HA ILE A 66 0.456 -5.669 1.178 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.057 -6.534 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.389 -4.999 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.786 -4.237 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.508 -4.855 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.307 -6.167 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.071 -4.584 3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.561 -2.696 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.607 -3.069 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.204 -3.843 0.750 1.00 0.00 H new ATOM 1006 N LYS A 67 0.107 -8.537 2.820 1.00 0.00 N ATOM 1007 CA LYS A 67 0.756 -9.423 3.797 1.00 0.00 C ATOM 1008 C LYS A 67 2.222 -9.695 3.429 1.00 0.00 C ATOM 1009 O LYS A 67 3.049 -9.957 4.302 1.00 0.00 O ATOM 1010 CB LYS A 67 -0.003 -10.755 3.958 1.00 0.00 C ATOM 1011 CG LYS A 67 0.208 -11.754 2.818 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.896 -11.701 1.768 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.581 -12.618 0.593 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.763 -12.841 -0.289 1.00 0.00 N ATOM 0 H LYS A 67 -0.772 -8.893 2.445 1.00 0.00 H new ATOM 0 HA LYS A 67 0.731 -8.899 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.305 -11.222 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.069 -10.542 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.167 -11.554 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.262 -12.762 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.844 -11.995 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.015 -10.677 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.230 -12.186 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.226 -13.577 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.443 -12.988 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.284 -13.681 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.387 -12.010 -0.250 1.00 0.00 H new ATOM 1028 N ALA A 68 2.535 -9.633 2.139 1.00 0.00 N ATOM 1029 CA ALA A 68 3.893 -9.878 1.667 1.00 0.00 C ATOM 1030 C ALA A 68 4.775 -8.647 1.885 1.00 0.00 C ATOM 1031 O ALA A 68 5.858 -8.736 2.471 1.00 0.00 O ATOM 1032 CB ALA A 68 3.876 -10.269 0.192 1.00 0.00 C ATOM 0 H ALA A 68 1.866 -9.415 1.401 1.00 0.00 H new ATOM 0 HA ALA A 68 4.314 -10.702 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.896 -10.449 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.285 -11.176 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.435 -9.462 -0.393 1.00 0.00 H new ATOM 1038 N ILE A 69 4.293 -7.495 1.428 1.00 0.00 N ATOM 1039 CA ILE A 69 5.076 -6.261 1.466 1.00 0.00 C ATOM 1040 C ILE A 69 5.215 -5.720 2.891 1.00 0.00 C ATOM 1041 O ILE A 69 6.252 -5.155 3.249 1.00 0.00 O ATOM 1042 CB ILE A 69 4.457 -5.173 0.547 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.361 -3.927 0.487 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.048 -4.795 1.009 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.854 -2.853 -0.453 1.00 0.00 C ATOM 0 H ILE A 69 3.362 -7.389 1.026 1.00 0.00 H new ATOM 0 HA ILE A 69 6.071 -6.509 1.096 1.00 0.00 H new ATOM 0 HB ILE A 69 4.381 -5.590 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.453 -3.507 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.361 -4.229 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.640 -4.031 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.408 -5.677 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.091 -4.407 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.541 -2.007 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.789 -3.256 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.867 -2.523 -0.129 1.00 0.00 H new ATOM 1057 N GLU A 70 4.180 -5.913 3.711 1.00 0.00 N ATOM 1058 CA GLU A 70 4.174 -5.369 5.068 1.00 0.00 C ATOM 1059 C GLU A 70 5.261 -6.023 5.917 1.00 0.00 C ATOM 1060 O GLU A 70 5.842 -5.386 6.793 1.00 0.00 O ATOM 1061 CB GLU A 70 2.781 -5.507 5.713 1.00 0.00 C ATOM 1062 CG GLU A 70 2.262 -6.939 5.861 1.00 0.00 C ATOM 1063 CD GLU A 70 2.760 -7.646 7.113 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.519 -7.126 8.224 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.360 -8.735 6.998 1.00 0.00 O ATOM 0 H GLU A 70 3.342 -6.438 3.461 1.00 0.00 H new ATOM 0 HA GLU A 70 4.398 -4.304 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.810 -5.046 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.066 -4.940 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.172 -6.921 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.561 -7.516 4.986 1.00 0.00 H new ATOM 1072 N ASP A 71 5.549 -7.287 5.630 1.00 0.00 N ATOM 1073 CA ASP A 71 6.629 -8.003 6.304 1.00 0.00 C ATOM 1074 C ASP A 71 7.972 -7.370 5.946 1.00 0.00 C ATOM 1075 O ASP A 71 8.837 -7.178 6.806 1.00 0.00 O ATOM 1076 CB ASP A 71 6.614 -9.485 5.899 1.00 0.00 C ATOM 1077 CG ASP A 71 7.650 -10.317 6.643 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.845 -10.248 6.295 1.00 0.00 O ATOM 1079 OD2 ASP A 71 7.275 -11.060 7.576 1.00 0.00 O ATOM 0 H ASP A 71 5.049 -7.840 4.934 1.00 0.00 H new ATOM 0 HA ASP A 71 6.483 -7.936 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.623 -9.897 6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.794 -9.565 4.827 1.00 0.00 H new ATOM 1084 N THR A 72 8.124 -7.015 4.671 1.00 0.00 N ATOM 1085 CA THR A 72 9.375 -6.465 4.165 1.00 0.00 C ATOM 1086 C THR A 72 9.609 -5.041 4.688 1.00 0.00 C ATOM 1087 O THR A 72 10.732 -4.679 5.042 1.00 0.00 O ATOM 1088 CB THR A 72 9.393 -6.458 2.618 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.030 -7.757 2.120 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.775 -6.081 2.084 1.00 0.00 C ATOM 0 H THR A 72 7.390 -7.100 3.968 1.00 0.00 H new ATOM 0 HA THR A 72 10.179 -7.107 4.526 1.00 0.00 H new ATOM 0 HB THR A 72 8.673 -5.714 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.078 -7.917 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.757 -6.084 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.043 -5.086 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.511 -6.803 2.437 1.00 0.00 H new ATOM 1098 N VAL A 73 8.542 -4.240 4.754 1.00 0.00 N ATOM 1099 CA VAL A 73 8.660 -2.854 5.208 1.00 0.00 C ATOM 1100 C VAL A 73 9.027 -2.797 6.694 1.00 0.00 C ATOM 1101 O VAL A 73 9.687 -1.858 7.145 1.00 0.00 O ATOM 1102 CB VAL A 73 7.369 -2.032 4.932 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.191 -2.555 5.743 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.604 -0.543 5.199 1.00 0.00 C ATOM 0 H VAL A 73 7.596 -4.525 4.501 1.00 0.00 H new ATOM 0 HA VAL A 73 9.464 -2.397 4.630 1.00 0.00 H new ATOM 0 HB VAL A 73 7.119 -2.152 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.306 -1.957 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.001 -3.595 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.422 -2.487 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.687 0.012 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.894 -0.401 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.398 -0.178 4.548 1.00 0.00 H new ATOM 1114 N LYS A 74 8.609 -3.811 7.453 1.00 0.00 N ATOM 1115 CA LYS A 74 8.992 -3.925 8.861 1.00 0.00 C ATOM 1116 C LYS A 74 10.503 -4.129 8.982 1.00 0.00 C ATOM 1117 O LYS A 74 11.154 -3.555 9.859 1.00 0.00 O ATOM 1118 CB LYS A 74 8.246 -5.085 9.534 1.00 0.00 C ATOM 1119 CG LYS A 74 6.737 -4.874 9.634 1.00 0.00 C ATOM 1120 CD LYS A 74 6.027 -6.099 10.209 1.00 0.00 C ATOM 1121 CE LYS A 74 6.430 -6.370 11.653 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.987 -5.286 12.570 1.00 0.00 N ATOM 0 H LYS A 74 8.007 -4.563 7.118 1.00 0.00 H new ATOM 0 HA LYS A 74 8.718 -3.000 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.439 -6.001 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.650 -5.231 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.533 -4.007 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.335 -4.652 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.948 -5.950 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.259 -6.972 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.999 -7.317 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.513 -6.475 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.145 -5.579 13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.531 -4.422 12.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.975 -5.098 12.422 1.00 0.00 H new ATOM 1136 N LEU A 75 11.055 -4.936 8.075 1.00 0.00 N ATOM 1137 CA LEU A 75 12.495 -5.198 8.040 1.00 0.00 C ATOM 1138 C LEU A 75 13.275 -3.897 7.847 1.00 0.00 C ATOM 1139 O LEU A 75 14.410 -3.766 8.311 1.00 0.00 O ATOM 1140 CB LEU A 75 12.840 -6.191 6.918 1.00 0.00 C ATOM 1141 CG LEU A 75 12.267 -7.608 7.093 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.606 -8.485 5.889 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.780 -8.244 8.385 1.00 0.00 C ATOM 0 H LEU A 75 10.524 -5.421 7.352 1.00 0.00 H new ATOM 0 HA LEU A 75 12.781 -5.639 8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.479 -5.785 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.925 -6.263 6.840 1.00 0.00 H new ATOM 0 HG LEU A 75 11.182 -7.527 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.190 -9.482 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.182 -8.044 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.689 -8.555 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.362 -9.245 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.868 -8.306 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.476 -7.634 9.236 1.00 0.00 H new ATOM 1155 N ILE A 76 12.658 -2.941 7.155 1.00 0.00 N ATOM 1156 CA ILE A 76 13.261 -1.629 6.954 1.00 0.00 C ATOM 1157 C ILE A 76 13.467 -0.934 8.300 1.00 0.00 C ATOM 1158 O ILE A 76 14.530 -0.381 8.565 1.00 0.00 O ATOM 1159 CB ILE A 76 12.393 -0.730 6.035 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.186 -1.404 4.666 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.032 0.651 5.870 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.278 -0.628 3.734 1.00 0.00 C ATOM 0 H ILE A 76 11.740 -3.053 6.725 1.00 0.00 H new ATOM 0 HA ILE A 76 14.223 -1.783 6.465 1.00 0.00 H new ATOM 0 HB ILE A 76 11.418 -0.597 6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.156 -1.537 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.768 -2.399 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.407 1.266 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.123 1.129 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.021 0.543 5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.180 -1.165 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.295 -0.518 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.704 0.358 3.548 1.00 0.00 H new ATOM 1174 N LEU A 77 12.449 -0.995 9.155 1.00 0.00 N ATOM 1175 CA LEU A 77 12.518 -0.384 10.483 1.00 0.00 C ATOM 1176 C LEU A 77 13.499 -1.142 11.373 1.00 0.00 C ATOM 1177 O LEU A 77 14.098 -0.567 12.284 1.00 0.00 O ATOM 1178 CB LEU A 77 11.131 -0.348 11.139 1.00 0.00 C ATOM 1179 CG LEU A 77 10.072 0.490 10.402 1.00 0.00 C ATOM 1180 CD1 LEU A 77 8.756 0.497 11.176 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.568 1.916 10.174 1.00 0.00 C ATOM 0 H LEU A 77 11.565 -1.462 8.953 1.00 0.00 H new ATOM 0 HA LEU A 77 12.872 0.640 10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.763 -1.370 11.227 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.237 0.041 12.152 1.00 0.00 H new ATOM 0 HG LEU A 77 9.896 0.032 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.021 1.095 10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.389 -0.524 11.278 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.918 0.925 12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.802 2.489 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.780 2.386 11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.477 1.893 9.573 1.00 0.00 H new ATOM 1193 N ASP A 78 13.636 -2.439 11.114 1.00 0.00 N ATOM 1194 CA ASP A 78 14.592 -3.283 11.835 1.00 0.00 C ATOM 1195 C ASP A 78 16.026 -2.840 11.545 1.00 0.00 C ATOM 1196 O ASP A 78 16.893 -2.888 12.422 1.00 0.00 O ATOM 1197 CB ASP A 78 14.404 -4.756 11.440 1.00 0.00 C ATOM 1198 CG ASP A 78 15.451 -5.677 12.054 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.292 -6.073 13.225 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.436 -6.019 11.360 1.00 0.00 O ATOM 0 H ASP A 78 13.094 -2.934 10.406 1.00 0.00 H new ATOM 0 HA ASP A 78 14.406 -3.177 12.904 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.412 -5.085 11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.444 -4.843 10.354 1.00 0.00 H new ATOM 1205 N GLY A 79 16.260 -2.396 10.311 1.00 0.00 N ATOM 1206 CA GLY A 79 17.578 -1.938 9.905 1.00 0.00 C ATOM 1207 C GLY A 79 17.502 -0.711 9.017 1.00 0.00 C ATOM 1208 O GLY A 79 17.755 -0.791 7.812 1.00 0.00 O ATOM 0 H GLY A 79 15.551 -2.346 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.171 -1.709 10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.093 -2.739 9.374 1.00 0.00 H new ATOM 1212 N LYS A 80 17.139 0.425 9.616 1.00 0.00 N ATOM 1213 CA LYS A 80 16.992 1.683 8.881 1.00 0.00 C ATOM 1214 C LYS A 80 18.302 2.090 8.215 1.00 0.00 C ATOM 1215 O LYS A 80 18.438 2.032 6.993 1.00 0.00 O ATOM 1216 CB LYS A 80 16.528 2.809 9.820 1.00 0.00 C ATOM 1217 CG LYS A 80 15.081 2.691 10.291 1.00 0.00 C ATOM 1218 CD LYS A 80 14.093 2.690 9.124 1.00 0.00 C ATOM 1219 CE LYS A 80 14.309 3.865 8.173 1.00 0.00 C ATOM 1220 NZ LYS A 80 14.217 5.181 8.861 1.00 0.00 N ATOM 0 H LYS A 80 16.940 0.499 10.614 1.00 0.00 H new ATOM 0 HA LYS A 80 16.240 1.523 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.180 2.827 10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.653 3.764 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.962 1.773 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.850 3.520 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.191 1.756 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.076 2.725 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.288 3.772 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.567 3.823 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.286 5.945 8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.306 5.250 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.994 5.269 9.547 1.00 0.00 H new ATOM 1234 N GLU A 81 19.264 2.488 9.035 1.00 0.00 N ATOM 1235 CA GLU A 81 20.558 2.965 8.557 1.00 0.00 C ATOM 1236 C GLU A 81 21.557 1.812 8.492 1.00 0.00 C ATOM 1237 O GLU A 81 22.753 1.985 8.733 1.00 0.00 O ATOM 1238 CB GLU A 81 21.058 4.088 9.476 1.00 0.00 C ATOM 1239 CG GLU A 81 20.163 5.325 9.448 1.00 0.00 C ATOM 1240 CD GLU A 81 20.546 6.369 10.483 1.00 0.00 C ATOM 1241 OE1 GLU A 81 21.698 6.849 10.455 1.00 0.00 O ATOM 1242 OE2 GLU A 81 19.700 6.712 11.333 1.00 0.00 O ATOM 0 H GLU A 81 19.172 2.490 10.051 1.00 0.00 H new ATOM 0 HA GLU A 81 20.451 3.365 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 81 21.119 3.714 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.068 4.370 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.207 5.774 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.130 5.021 9.614 1.00 0.00 H new ATOM 1249 N ALA A 82 21.045 0.635 8.150 1.00 0.00 N ATOM 1250 CA ALA A 82 21.861 -0.561 7.974 1.00 0.00 C ATOM 1251 C ALA A 82 21.828 -0.989 6.510 1.00 0.00 C ATOM 1252 O ALA A 82 21.726 -2.178 6.196 1.00 0.00 O ATOM 1253 CB ALA A 82 21.353 -1.681 8.880 1.00 0.00 C ATOM 0 H ALA A 82 20.050 0.483 7.987 1.00 0.00 H new ATOM 0 HA ALA A 82 22.892 -0.342 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.969 -2.569 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.408 -1.361 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.319 -1.913 8.626 1.00 0.00 H new ATOM 1259 N ALA A 83 21.907 -0.003 5.619 1.00 0.00 N ATOM 1260 CA ALA A 83 21.837 -0.238 4.178 1.00 0.00 C ATOM 1261 C ALA A 83 23.049 -1.036 3.699 1.00 0.00 C ATOM 1262 O ALA A 83 22.880 -2.205 3.288 1.00 0.00 O ATOM 1263 CB ALA A 83 21.732 1.090 3.432 1.00 0.00 C ATOM 1264 OXT ALA A 83 24.174 -0.500 3.760 1.00 0.00 O ATOM 0 H ALA A 83 22.021 0.978 5.874 1.00 0.00 H new ATOM 0 HA ALA A 83 20.944 -0.826 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 83 21.681 0.902 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.833 1.617 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.608 1.701 3.652 1.00 0.00 H new TER 1270 ALA A 83