USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 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 37 SER OG : rot 142:sc= 0.101 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.0972 USER MOD Set 2.1: A 32 SER OG : rot -80:sc= 0.561 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0.413 USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0.0536 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 16:sc= 0.768 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 139:sc= -3.71 (180deg=-7.8!) USER MOD Single : A 13 HIS : no HD1:sc=-0.00345 X(o=-0.0034,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= -0.956! (180deg=-1.35!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 70:sc= -2.2 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 85:sc= -0.0298 USER MOD Single : A 26 SER OG : rot -44:sc= 0.888 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0163 USER MOD Single : A 40 ASN : amide:sc= -1.63! K(o=-1.6!,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.35) USER MOD Single : A 65 SER OG : rot 109:sc= 1.86 USER MOD Single : A 69 TYR OH : rot 130:sc= -0.12 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.851 -12.396 -6.141 1.00 0.00 N ATOM 16 CA ASP A 2 -9.956 -11.395 -5.606 1.00 0.00 C ATOM 17 C ASP A 2 -9.986 -10.110 -6.446 1.00 0.00 C ATOM 18 O ASP A 2 -10.382 -10.093 -7.612 1.00 0.00 O ATOM 19 CB ASP A 2 -8.535 -11.995 -5.583 1.00 0.00 C ATOM 20 CG ASP A 2 -8.048 -12.508 -6.954 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.746 -13.365 -7.556 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.972 -12.048 -7.390 1.00 0.00 O ATOM 0 HA ASP A 2 -10.271 -11.122 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.838 -11.239 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.511 -12.818 -4.869 1.00 0.00 H new ATOM 27 N SER A 3 -9.565 -9.009 -5.835 1.00 0.00 N ATOM 28 CA SER A 3 -9.270 -7.755 -6.510 1.00 0.00 C ATOM 29 C SER A 3 -7.841 -7.299 -6.180 1.00 0.00 C ATOM 30 O SER A 3 -7.084 -7.977 -5.480 1.00 0.00 O ATOM 31 CB SER A 3 -10.300 -6.692 -6.115 1.00 0.00 C ATOM 32 OG SER A 3 -10.357 -5.674 -7.100 1.00 0.00 O ATOM 0 H SER A 3 -9.416 -8.965 -4.827 1.00 0.00 H new ATOM 0 HA SER A 3 -9.334 -7.903 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.282 -7.152 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.035 -6.260 -5.150 1.00 0.00 H new ATOM 0 HG SER A 3 -11.020 -5.001 -6.837 1.00 0.00 H new ATOM 38 N THR A 4 -7.451 -6.136 -6.696 1.00 0.00 N ATOM 39 CA THR A 4 -6.068 -5.649 -6.676 1.00 0.00 C ATOM 40 C THR A 4 -6.037 -4.164 -6.980 1.00 0.00 C ATOM 41 O THR A 4 -6.897 -3.635 -7.681 1.00 0.00 O ATOM 42 CB THR A 4 -5.201 -6.478 -7.645 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.880 -7.681 -7.007 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.853 -5.871 -8.047 1.00 0.00 C ATOM 0 H THR A 4 -8.098 -5.491 -7.149 1.00 0.00 H new ATOM 0 HA THR A 4 -5.642 -5.779 -5.681 1.00 0.00 H new ATOM 0 HB THR A 4 -5.803 -6.559 -8.550 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.471 -7.811 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.338 -6.547 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.018 -4.913 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.242 -5.720 -7.157 1.00 0.00 H new ATOM 52 N ALA A 5 -5.022 -3.495 -6.443 1.00 0.00 N ATOM 53 CA ALA A 5 -4.683 -2.110 -6.730 1.00 0.00 C ATOM 54 C ALA A 5 -3.174 -1.856 -6.548 1.00 0.00 C ATOM 55 O ALA A 5 -2.482 -2.595 -5.830 1.00 0.00 O ATOM 56 CB ALA A 5 -5.532 -1.198 -5.836 1.00 0.00 C ATOM 0 H ALA A 5 -4.388 -3.923 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.907 -1.886 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.287 -0.156 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.589 -1.369 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.325 -1.419 -4.789 1.00 0.00 H new ATOM 62 N THR A 6 -2.690 -0.787 -7.187 1.00 0.00 N ATOM 63 CA THR A 6 -1.295 -0.342 -7.140 1.00 0.00 C ATOM 64 C THR A 6 -1.228 1.070 -6.593 1.00 0.00 C ATOM 65 O THR A 6 -2.041 1.927 -6.943 1.00 0.00 O ATOM 66 CB THR A 6 -0.652 -0.388 -8.522 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.826 -1.679 -9.054 1.00 0.00 O ATOM 68 CG2 THR A 6 0.844 -0.085 -8.475 1.00 0.00 C ATOM 0 H THR A 6 -3.277 -0.189 -7.769 1.00 0.00 H new ATOM 0 HA THR A 6 -0.744 -1.019 -6.486 1.00 0.00 H new ATOM 0 HB THR A 6 -1.131 0.372 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.419 -1.724 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.256 -0.130 -9.483 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.001 0.912 -8.063 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.345 -0.821 -7.845 1.00 0.00 H new ATOM 76 N PHE A 7 -0.219 1.301 -5.761 1.00 0.00 N ATOM 77 CA PHE A 7 0.023 2.570 -5.085 1.00 0.00 C ATOM 78 C PHE A 7 1.509 2.915 -5.076 1.00 0.00 C ATOM 79 O PHE A 7 2.375 2.038 -5.042 1.00 0.00 O ATOM 80 CB PHE A 7 -0.522 2.550 -3.646 1.00 0.00 C ATOM 81 CG PHE A 7 -1.926 1.974 -3.509 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.159 0.581 -3.459 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.027 2.852 -3.537 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.467 0.086 -3.481 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.338 2.348 -3.542 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.556 0.966 -3.529 1.00 0.00 C ATOM 0 H PHE A 7 0.474 0.589 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.509 3.340 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.157 1.970 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.521 3.568 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.325 -0.103 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.862 3.919 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.638 -0.980 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.178 3.027 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.563 0.578 -3.556 1.00 0.00 H new ATOM 96 N ILE A 8 1.808 4.210 -5.046 1.00 0.00 N ATOM 97 CA ILE A 8 3.159 4.754 -5.016 1.00 0.00 C ATOM 98 C ILE A 8 3.269 5.862 -3.984 1.00 0.00 C ATOM 99 O ILE A 8 2.331 6.639 -3.821 1.00 0.00 O ATOM 100 CB ILE A 8 3.542 5.201 -6.443 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.072 5.317 -6.529 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.847 6.494 -6.912 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.610 5.141 -7.949 1.00 0.00 C ATOM 0 H ILE A 8 1.090 4.934 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 8 3.874 3.993 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 8 3.180 4.438 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.378 6.292 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.524 4.566 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.173 6.736 -7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.767 6.350 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.110 7.312 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.696 5.234 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.333 4.155 -8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.185 5.908 -8.597 1.00 0.00 H new ATOM 115 N ILE A 9 4.391 5.882 -3.271 1.00 0.00 N ATOM 116 CA ILE A 9 4.663 6.759 -2.147 1.00 0.00 C ATOM 117 C ILE A 9 5.863 7.651 -2.432 1.00 0.00 C ATOM 118 O ILE A 9 6.881 7.153 -2.897 1.00 0.00 O ATOM 119 CB ILE A 9 5.039 5.936 -0.892 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.123 4.734 -0.558 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.151 6.930 0.285 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.382 3.432 -1.305 1.00 0.00 C ATOM 0 H ILE A 9 5.170 5.255 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 9 3.760 7.348 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 9 5.987 5.440 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.206 4.533 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.092 5.032 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.416 6.389 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.921 7.669 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.195 7.434 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.670 2.675 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.265 3.598 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.396 3.090 -1.099 1.00 0.00 H new ATOM 134 N ASP A 10 5.815 8.912 -2.020 1.00 0.00 N ATOM 135 CA ASP A 10 6.999 9.758 -1.966 1.00 0.00 C ATOM 136 C ASP A 10 7.264 10.343 -0.567 1.00 0.00 C ATOM 137 O ASP A 10 6.340 10.567 0.218 1.00 0.00 O ATOM 138 CB ASP A 10 7.048 10.757 -3.121 1.00 0.00 C ATOM 139 CG ASP A 10 8.418 10.598 -3.802 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.438 10.913 -3.148 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.507 9.981 -4.890 1.00 0.00 O ATOM 0 H ASP A 10 4.958 9.374 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 10 7.864 9.115 -2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.242 10.566 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.916 11.775 -2.755 1.00 0.00 H new ATOM 146 N GLY A 11 8.551 10.494 -0.226 1.00 0.00 N ATOM 147 CA GLY A 11 9.026 10.859 1.121 1.00 0.00 C ATOM 148 C GLY A 11 9.423 9.639 1.959 1.00 0.00 C ATOM 149 O GLY A 11 9.603 9.728 3.168 1.00 0.00 O ATOM 0 H GLY A 11 9.311 10.363 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.883 11.527 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.243 11.412 1.640 1.00 0.00 H new ATOM 153 N MET A 12 9.518 8.477 1.320 1.00 0.00 N ATOM 154 CA MET A 12 9.710 7.175 1.943 1.00 0.00 C ATOM 155 C MET A 12 11.204 6.900 2.224 1.00 0.00 C ATOM 156 O MET A 12 12.099 7.384 1.539 1.00 0.00 O ATOM 157 CB MET A 12 8.972 6.143 1.055 1.00 0.00 C ATOM 158 CG MET A 12 9.733 5.513 -0.116 1.00 0.00 C ATOM 159 SD MET A 12 10.926 6.448 -1.117 1.00 0.00 S ATOM 160 CE MET A 12 9.832 7.657 -1.861 1.00 0.00 C ATOM 0 H MET A 12 9.460 8.417 0.303 1.00 0.00 H new ATOM 0 HA MET A 12 9.274 7.114 2.940 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.628 5.335 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.083 6.628 0.651 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.269 4.653 0.286 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.982 5.127 -0.805 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.320 8.632 -1.870 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.600 7.357 -2.883 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.910 7.718 -1.283 1.00 0.00 H new ATOM 170 N HIS A 13 11.511 6.078 3.227 1.00 0.00 N ATOM 171 CA HIS A 13 12.897 5.708 3.586 1.00 0.00 C ATOM 172 C HIS A 13 13.540 4.636 2.659 1.00 0.00 C ATOM 173 O HIS A 13 14.336 3.809 3.111 1.00 0.00 O ATOM 174 CB HIS A 13 12.954 5.318 5.071 1.00 0.00 C ATOM 175 CG HIS A 13 12.864 6.483 6.023 1.00 0.00 C ATOM 176 ND1 HIS A 13 13.868 6.920 6.857 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.792 7.311 6.222 1.00 0.00 C ATOM 178 CE1 HIS A 13 13.412 7.978 7.546 1.00 0.00 C ATOM 179 NE2 HIS A 13 12.150 8.248 7.193 1.00 0.00 N ATOM 0 H HIS A 13 10.807 5.642 3.823 1.00 0.00 H new ATOM 0 HA HIS A 13 13.517 6.590 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.139 4.626 5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.885 4.782 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.839 7.250 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.981 8.531 8.279 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.562 8.995 7.563 1.00 0.00 H new ATOM 187 N CYS A 14 13.178 4.620 1.371 1.00 0.00 N ATOM 188 CA CYS A 14 13.802 3.847 0.280 1.00 0.00 C ATOM 189 C CYS A 14 13.651 2.317 0.400 1.00 0.00 C ATOM 190 O CYS A 14 12.902 1.732 -0.372 1.00 0.00 O ATOM 191 CB CYS A 14 15.263 4.300 0.110 1.00 0.00 C ATOM 192 SG CYS A 14 15.988 3.493 -1.348 1.00 0.00 S ATOM 0 H CYS A 14 12.393 5.180 1.037 1.00 0.00 H new ATOM 0 HA CYS A 14 13.249 4.071 -0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.307 5.383 -0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.838 4.048 1.001 1.00 0.00 H new ATOM 0 HG CYS A 14 17.221 3.879 -1.490 1.00 0.00 H new ATOM 198 N LYS A 15 14.344 1.665 1.339 1.00 0.00 N ATOM 199 CA LYS A 15 14.247 0.217 1.579 1.00 0.00 C ATOM 200 C LYS A 15 13.513 -0.126 2.885 1.00 0.00 C ATOM 201 O LYS A 15 12.714 -1.053 2.911 1.00 0.00 O ATOM 202 CB LYS A 15 15.656 -0.413 1.555 1.00 0.00 C ATOM 203 CG LYS A 15 15.918 -1.236 0.284 1.00 0.00 C ATOM 204 CD LYS A 15 16.058 -0.392 -0.991 1.00 0.00 C ATOM 205 CE LYS A 15 16.423 -1.308 -2.167 1.00 0.00 C ATOM 206 NZ LYS A 15 16.948 -0.558 -3.329 1.00 0.00 N ATOM 0 H LYS A 15 14.999 2.134 1.965 1.00 0.00 H new ATOM 0 HA LYS A 15 13.646 -0.206 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.404 0.377 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.778 -1.053 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.828 -1.819 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.102 -1.946 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.125 0.132 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.827 0.369 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.168 -2.033 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.541 -1.872 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.274 -1.227 -4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.196 0.042 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.744 0.039 -3.026 1.00 0.00 H new ATOM 220 N SER A 16 13.691 0.616 3.978 1.00 0.00 N ATOM 221 CA SER A 16 12.978 0.299 5.232 1.00 0.00 C ATOM 222 C SER A 16 11.495 0.680 5.184 1.00 0.00 C ATOM 223 O SER A 16 10.708 0.059 5.892 1.00 0.00 O ATOM 224 CB SER A 16 13.673 0.950 6.434 1.00 0.00 C ATOM 225 OG SER A 16 13.847 2.343 6.248 1.00 0.00 O ATOM 0 H SER A 16 14.308 1.426 4.030 1.00 0.00 H new ATOM 0 HA SER A 16 13.017 -0.784 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.084 0.774 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.644 0.480 6.591 1.00 0.00 H new ATOM 0 HG SER A 16 14.291 2.725 7.034 1.00 0.00 H new ATOM 231 N CYS A 17 11.077 1.600 4.299 1.00 0.00 N ATOM 232 CA CYS A 17 9.670 1.882 4.020 1.00 0.00 C ATOM 233 C CYS A 17 8.924 0.580 3.711 1.00 0.00 C ATOM 234 O CYS A 17 7.947 0.284 4.389 1.00 0.00 O ATOM 235 CB CYS A 17 9.619 2.935 2.893 1.00 0.00 C ATOM 236 SG CYS A 17 10.413 2.341 1.382 1.00 0.00 S ATOM 0 H CYS A 17 11.720 2.173 3.753 1.00 0.00 H new ATOM 0 HA CYS A 17 9.154 2.302 4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.581 3.191 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.111 3.849 3.227 1.00 0.00 H new ATOM 0 HG CYS A 17 9.688 1.402 0.851 1.00 0.00 H new ATOM 242 N VAL A 18 9.456 -0.213 2.779 1.00 0.00 N ATOM 243 CA VAL A 18 8.898 -1.443 2.216 1.00 0.00 C ATOM 244 C VAL A 18 8.360 -2.376 3.291 1.00 0.00 C ATOM 245 O VAL A 18 7.187 -2.731 3.262 1.00 0.00 O ATOM 246 CB VAL A 18 9.992 -2.181 1.399 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.601 -3.600 0.956 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.490 -1.303 0.236 1.00 0.00 C ATOM 0 H VAL A 18 10.362 0.007 2.365 1.00 0.00 H new ATOM 0 HA VAL A 18 8.064 -1.161 1.573 1.00 0.00 H new ATOM 0 HB VAL A 18 10.828 -2.342 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.421 -4.044 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.393 -4.211 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.712 -3.553 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.256 -1.840 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.656 -1.068 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.911 -0.379 0.632 1.00 0.00 H new ATOM 258 N SER A 19 9.209 -2.728 4.253 1.00 0.00 N ATOM 259 CA SER A 19 8.890 -3.764 5.243 1.00 0.00 C ATOM 260 C SER A 19 7.703 -3.352 6.131 1.00 0.00 C ATOM 261 O SER A 19 6.788 -4.153 6.334 1.00 0.00 O ATOM 262 CB SER A 19 10.178 -4.036 6.040 1.00 0.00 C ATOM 263 OG SER A 19 9.962 -4.777 7.226 1.00 0.00 O ATOM 0 H SER A 19 10.132 -2.310 4.372 1.00 0.00 H new ATOM 0 HA SER A 19 8.564 -4.684 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.881 -4.577 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.646 -3.085 6.295 1.00 0.00 H new ATOM 0 HG SER A 19 10.817 -4.917 7.684 1.00 0.00 H new ATOM 269 N ASN A 20 7.629 -2.080 6.543 1.00 0.00 N ATOM 270 CA ASN A 20 6.436 -1.539 7.199 1.00 0.00 C ATOM 271 C ASN A 20 5.179 -1.679 6.333 1.00 0.00 C ATOM 272 O ASN A 20 4.124 -2.047 6.837 1.00 0.00 O ATOM 273 CB ASN A 20 6.576 -0.041 7.442 1.00 0.00 C ATOM 274 CG ASN A 20 7.687 0.394 8.366 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.585 0.344 9.580 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.763 0.911 7.818 1.00 0.00 N ATOM 0 H ASN A 20 8.386 -1.405 6.432 1.00 0.00 H new ATOM 0 HA ASN A 20 6.342 -2.106 8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.723 0.448 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.633 0.328 7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.513 1.271 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.848 0.953 6.802 1.00 0.00 H new ATOM 283 N ILE A 21 5.258 -1.325 5.041 1.00 0.00 N ATOM 284 CA ILE A 21 4.067 -1.267 4.176 1.00 0.00 C ATOM 285 C ILE A 21 3.526 -2.671 3.947 1.00 0.00 C ATOM 286 O ILE A 21 2.327 -2.872 4.099 1.00 0.00 O ATOM 287 CB ILE A 21 4.294 -0.551 2.820 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.434 0.493 2.847 1.00 0.00 C ATOM 289 CG2 ILE A 21 2.938 0.010 2.359 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.407 1.559 1.743 1.00 0.00 C ATOM 0 H ILE A 21 6.129 -1.075 4.573 1.00 0.00 H new ATOM 0 HA ILE A 21 3.337 -0.658 4.709 1.00 0.00 H new ATOM 0 HB ILE A 21 4.655 -1.269 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.411 0.999 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.385 -0.037 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.062 0.522 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.227 -0.808 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.564 0.714 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.255 2.233 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.468 1.075 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.479 2.127 1.809 1.00 0.00 H new ATOM 302 N GLU A 22 4.417 -3.623 3.666 1.00 0.00 N ATOM 303 CA GLU A 22 4.100 -5.041 3.592 1.00 0.00 C ATOM 304 C GLU A 22 3.395 -5.498 4.881 1.00 0.00 C ATOM 305 O GLU A 22 2.305 -6.059 4.817 1.00 0.00 O ATOM 306 CB GLU A 22 5.398 -5.815 3.271 1.00 0.00 C ATOM 307 CG GLU A 22 5.871 -5.518 1.833 1.00 0.00 C ATOM 308 CD GLU A 22 6.564 -6.683 1.130 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.508 -7.224 1.740 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.175 -6.956 -0.035 1.00 0.00 O ATOM 0 H GLU A 22 5.399 -3.420 3.480 1.00 0.00 H new ATOM 0 HA GLU A 22 3.393 -5.249 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.178 -5.537 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.227 -6.885 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.009 -5.215 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.555 -4.670 1.859 1.00 0.00 H new ATOM 317 N SER A 23 3.932 -5.176 6.060 1.00 0.00 N ATOM 318 CA SER A 23 3.327 -5.596 7.330 1.00 0.00 C ATOM 319 C SER A 23 2.003 -4.922 7.721 1.00 0.00 C ATOM 320 O SER A 23 1.132 -5.585 8.288 1.00 0.00 O ATOM 321 CB SER A 23 4.344 -5.351 8.446 1.00 0.00 C ATOM 322 OG SER A 23 3.890 -5.907 9.671 1.00 0.00 O ATOM 0 H SER A 23 4.785 -4.626 6.164 1.00 0.00 H new ATOM 0 HA SER A 23 3.072 -6.646 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.303 -5.792 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.509 -4.280 8.566 1.00 0.00 H new ATOM 0 HG SER A 23 4.555 -5.741 10.372 1.00 0.00 H new ATOM 328 N THR A 24 1.874 -3.607 7.511 1.00 0.00 N ATOM 329 CA THR A 24 0.715 -2.799 7.925 1.00 0.00 C ATOM 330 C THR A 24 -0.464 -3.011 6.994 1.00 0.00 C ATOM 331 O THR A 24 -1.608 -3.048 7.442 1.00 0.00 O ATOM 332 CB THR A 24 1.119 -1.320 8.049 1.00 0.00 C ATOM 333 OG1 THR A 24 2.013 -1.241 9.134 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.053 -0.384 8.356 1.00 0.00 C ATOM 0 H THR A 24 2.591 -3.058 7.036 1.00 0.00 H new ATOM 0 HA THR A 24 0.385 -3.129 8.910 1.00 0.00 H new ATOM 0 HB THR A 24 1.541 -1.005 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.920 -1.450 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.310 0.641 8.429 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.792 -0.452 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.513 -0.674 9.301 1.00 0.00 H new ATOM 342 N LEU A 25 -0.189 -3.179 5.701 1.00 0.00 N ATOM 343 CA LEU A 25 -1.207 -3.557 4.735 1.00 0.00 C ATOM 344 C LEU A 25 -1.594 -5.017 4.904 1.00 0.00 C ATOM 345 O LEU A 25 -2.789 -5.270 4.944 1.00 0.00 O ATOM 346 CB LEU A 25 -0.737 -3.281 3.305 1.00 0.00 C ATOM 347 CG LEU A 25 -0.691 -1.808 2.837 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.969 -1.460 2.066 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.461 -0.761 3.945 1.00 0.00 C ATOM 0 H LEU A 25 0.741 -3.057 5.300 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.091 -2.947 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.263 -3.700 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.390 -3.829 2.625 1.00 0.00 H new ATOM 0 HG LEU A 25 0.190 -1.751 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.926 -0.420 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.057 -2.109 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.834 -1.602 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.447 0.236 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.266 -0.823 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.492 -0.955 4.436 1.00 0.00 H new ATOM 361 N SER A 26 -0.667 -5.975 5.048 1.00 0.00 N ATOM 362 CA SER A 26 -1.031 -7.411 5.058 1.00 0.00 C ATOM 363 C SER A 26 -1.761 -7.873 6.346 1.00 0.00 C ATOM 364 O SER A 26 -1.860 -9.068 6.632 1.00 0.00 O ATOM 365 CB SER A 26 0.208 -8.275 4.782 1.00 0.00 C ATOM 366 OG SER A 26 -0.155 -9.636 4.640 1.00 0.00 O ATOM 0 H SER A 26 0.330 -5.792 5.158 1.00 0.00 H new ATOM 0 HA SER A 26 -1.756 -7.547 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.705 -7.929 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.923 -8.167 5.598 1.00 0.00 H new ATOM 0 HG SER A 26 -0.798 -9.878 5.339 1.00 0.00 H new ATOM 372 N ALA A 27 -2.271 -6.919 7.124 1.00 0.00 N ATOM 373 CA ALA A 27 -3.082 -7.126 8.320 1.00 0.00 C ATOM 374 C ALA A 27 -4.551 -6.710 8.110 1.00 0.00 C ATOM 375 O ALA A 27 -5.381 -6.913 8.997 1.00 0.00 O ATOM 376 CB ALA A 27 -2.429 -6.310 9.445 1.00 0.00 C ATOM 0 H ALA A 27 -2.121 -5.930 6.925 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.113 -8.186 8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.002 -6.433 10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.409 -6.660 9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.412 -5.256 9.167 1.00 0.00 H new ATOM 382 N LEU A 28 -4.895 -6.085 6.974 1.00 0.00 N ATOM 383 CA LEU A 28 -6.206 -5.467 6.794 1.00 0.00 C ATOM 384 C LEU A 28 -7.287 -6.542 6.630 1.00 0.00 C ATOM 385 O LEU A 28 -7.141 -7.456 5.821 1.00 0.00 O ATOM 386 CB LEU A 28 -6.176 -4.504 5.595 1.00 0.00 C ATOM 387 CG LEU A 28 -5.215 -3.311 5.771 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.869 -2.678 4.417 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.840 -2.240 6.667 1.00 0.00 C ATOM 0 H LEU A 28 -4.277 -5.997 6.167 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.453 -4.887 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.888 -5.060 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.183 -4.124 5.423 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.306 -3.693 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.190 -1.839 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.390 -3.421 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.781 -2.323 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.145 -1.408 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.765 -1.883 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.055 -2.666 7.647 1.00 0.00 H new ATOM 401 N GLN A 29 -8.413 -6.408 7.335 1.00 0.00 N ATOM 402 CA GLN A 29 -9.453 -7.447 7.433 1.00 0.00 C ATOM 403 C GLN A 29 -10.171 -7.790 6.105 1.00 0.00 C ATOM 404 O GLN A 29 -11.045 -8.648 6.091 1.00 0.00 O ATOM 405 CB GLN A 29 -10.459 -7.032 8.523 1.00 0.00 C ATOM 406 CG GLN A 29 -11.093 -8.239 9.231 1.00 0.00 C ATOM 407 CD GLN A 29 -12.258 -7.810 10.114 1.00 0.00 C ATOM 408 OE1 GLN A 29 -12.084 -7.305 11.207 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.488 -7.962 9.671 1.00 0.00 N ATOM 0 H GLN A 29 -8.635 -5.564 7.863 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.947 -8.375 7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.954 -6.407 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.245 -6.424 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.441 -8.958 8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.341 -8.745 9.837 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.652 -8.383 8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.277 -7.658 10.242 1.00 0.00 H new ATOM 418 N TYR A 30 -9.809 -7.139 4.996 1.00 0.00 N ATOM 419 CA TYR A 30 -10.231 -7.480 3.636 1.00 0.00 C ATOM 420 C TYR A 30 -9.091 -7.923 2.695 1.00 0.00 C ATOM 421 O TYR A 30 -9.383 -8.359 1.587 1.00 0.00 O ATOM 422 CB TYR A 30 -10.989 -6.275 3.040 1.00 0.00 C ATOM 423 CG TYR A 30 -10.440 -4.874 3.296 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.063 -4.569 3.189 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.344 -3.846 3.638 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.608 -3.262 3.423 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.889 -2.537 3.885 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.514 -2.243 3.787 1.00 0.00 C ATOM 429 OH TYR A 30 -9.069 -0.987 4.063 1.00 0.00 O ATOM 0 H TYR A 30 -9.190 -6.329 5.023 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.876 -8.355 3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.044 -6.418 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.011 -6.305 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.359 -5.345 2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.399 -4.066 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.557 -3.034 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.591 -1.760 4.149 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.830 -0.414 4.294 1.00 0.00 H new ATOM 439 N VAL A 31 -7.806 -7.786 3.052 1.00 0.00 N ATOM 440 CA VAL A 31 -6.707 -7.993 2.085 1.00 0.00 C ATOM 441 C VAL A 31 -6.272 -9.458 2.080 1.00 0.00 C ATOM 442 O VAL A 31 -6.221 -10.105 3.121 1.00 0.00 O ATOM 443 CB VAL A 31 -5.543 -6.989 2.223 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.660 -7.253 3.398 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.589 -6.951 1.014 1.00 0.00 C ATOM 0 H VAL A 31 -7.499 -7.536 3.992 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.102 -7.768 1.094 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.079 -6.046 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.865 -6.508 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.247 -7.197 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.222 -8.247 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.801 -6.220 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.144 -7.936 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.146 -6.671 0.120 1.00 0.00 H new ATOM 455 N SER A 32 -6.010 -9.988 0.890 1.00 0.00 N ATOM 456 CA SER A 32 -5.606 -11.382 0.675 1.00 0.00 C ATOM 457 C SER A 32 -4.090 -11.526 0.497 1.00 0.00 C ATOM 458 O SER A 32 -3.503 -12.522 0.913 1.00 0.00 O ATOM 459 CB SER A 32 -6.316 -11.860 -0.603 1.00 0.00 C ATOM 460 OG SER A 32 -5.798 -13.077 -1.102 1.00 0.00 O ATOM 0 H SER A 32 -6.073 -9.452 0.025 1.00 0.00 H new ATOM 0 HA SER A 32 -5.880 -11.976 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.379 -11.982 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.226 -11.092 -1.371 1.00 0.00 H new ATOM 0 HG SER A 32 -4.975 -12.901 -1.604 1.00 0.00 H new ATOM 466 N SER A 33 -3.453 -10.540 -0.131 1.00 0.00 N ATOM 467 CA SER A 33 -2.094 -10.639 -0.653 1.00 0.00 C ATOM 468 C SER A 33 -1.476 -9.237 -0.830 1.00 0.00 C ATOM 469 O SER A 33 -2.172 -8.230 -0.970 1.00 0.00 O ATOM 470 CB SER A 33 -2.109 -11.386 -2.020 1.00 0.00 C ATOM 471 OG SER A 33 -3.298 -12.116 -2.324 1.00 0.00 O ATOM 0 H SER A 33 -3.879 -9.628 -0.294 1.00 0.00 H new ATOM 0 HA SER A 33 -1.487 -11.198 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.943 -10.656 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.267 -12.077 -2.042 1.00 0.00 H new ATOM 0 HG SER A 33 -3.204 -12.544 -3.201 1.00 0.00 H new ATOM 477 N ILE A 34 -0.154 -9.156 -0.906 1.00 0.00 N ATOM 478 CA ILE A 34 0.613 -7.938 -1.194 1.00 0.00 C ATOM 479 C ILE A 34 2.011 -8.311 -1.688 1.00 0.00 C ATOM 480 O ILE A 34 2.507 -9.381 -1.348 1.00 0.00 O ATOM 481 CB ILE A 34 0.666 -7.014 0.053 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.341 -5.662 -0.271 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.364 -7.691 1.251 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.066 -4.582 0.776 1.00 0.00 C ATOM 0 H ILE A 34 0.445 -9.970 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 34 0.115 -7.378 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.368 -6.822 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.417 -5.812 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.992 -5.313 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.377 -7.006 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.822 -8.596 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.387 -7.949 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.569 -3.659 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.007 -4.405 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.440 -4.911 1.745 1.00 0.00 H new ATOM 496 N VAL A 35 2.602 -7.437 -2.500 1.00 0.00 N ATOM 497 CA VAL A 35 4.016 -7.428 -2.890 1.00 0.00 C ATOM 498 C VAL A 35 4.449 -5.982 -2.993 1.00 0.00 C ATOM 499 O VAL A 35 3.811 -5.191 -3.692 1.00 0.00 O ATOM 500 CB VAL A 35 4.277 -8.110 -4.250 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.653 -7.779 -4.870 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.235 -9.626 -4.052 1.00 0.00 C ATOM 0 H VAL A 35 2.081 -6.672 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 35 4.575 -7.986 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 35 3.507 -7.738 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.757 -8.297 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.730 -6.704 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.444 -8.102 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.418 -10.123 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.002 -9.921 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.255 -9.917 -3.674 1.00 0.00 H new ATOM 512 N VAL A 36 5.562 -5.658 -2.351 1.00 0.00 N ATOM 513 CA VAL A 36 6.207 -4.347 -2.513 1.00 0.00 C ATOM 514 C VAL A 36 7.416 -4.420 -3.444 1.00 0.00 C ATOM 515 O VAL A 36 8.185 -5.379 -3.481 1.00 0.00 O ATOM 516 CB VAL A 36 6.539 -3.715 -1.154 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.447 -2.486 -1.246 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.255 -3.189 -0.503 1.00 0.00 C ATOM 0 H VAL A 36 6.046 -6.284 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 36 5.492 -3.683 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 36 7.036 -4.506 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.635 -2.097 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.392 -2.766 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.960 -1.718 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.493 -2.741 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.800 -2.438 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.557 -4.013 -0.357 1.00 0.00 H new ATOM 528 N SER A 37 7.579 -3.350 -4.218 1.00 0.00 N ATOM 529 CA SER A 37 8.723 -3.141 -5.093 1.00 0.00 C ATOM 530 C SER A 37 9.947 -2.668 -4.296 1.00 0.00 C ATOM 531 O SER A 37 10.186 -1.472 -4.195 1.00 0.00 O ATOM 532 CB SER A 37 8.344 -2.115 -6.168 1.00 0.00 C ATOM 533 OG SER A 37 7.129 -2.460 -6.820 1.00 0.00 O ATOM 0 H SER A 37 6.902 -2.588 -4.253 1.00 0.00 H new ATOM 0 HA SER A 37 8.990 -4.085 -5.568 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.245 -1.130 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.145 -2.046 -6.904 1.00 0.00 H new ATOM 0 HG SER A 37 6.608 -1.648 -6.992 1.00 0.00 H new ATOM 539 N LEU A 38 10.733 -3.611 -3.765 1.00 0.00 N ATOM 540 CA LEU A 38 11.919 -3.427 -2.916 1.00 0.00 C ATOM 541 C LEU A 38 12.869 -2.339 -3.425 1.00 0.00 C ATOM 542 O LEU A 38 13.376 -1.542 -2.644 1.00 0.00 O ATOM 543 CB LEU A 38 12.623 -4.804 -2.832 1.00 0.00 C ATOM 544 CG LEU A 38 13.511 -5.131 -1.613 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.894 -4.503 -1.744 1.00 0.00 C ATOM 546 CD2 LEU A 38 12.892 -4.723 -0.272 1.00 0.00 C ATOM 0 H LEU A 38 10.543 -4.600 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 38 11.610 -3.077 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.850 -5.570 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.241 -4.910 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 38 13.599 -6.217 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.492 -4.754 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.384 -4.885 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.796 -3.420 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.573 -4.984 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.716 -3.647 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.946 -5.247 -0.133 1.00 0.00 H new ATOM 558 N GLU A 39 13.103 -2.310 -4.738 1.00 0.00 N ATOM 559 CA GLU A 39 14.008 -1.355 -5.377 1.00 0.00 C ATOM 560 C GLU A 39 13.399 0.033 -5.654 1.00 0.00 C ATOM 561 O GLU A 39 14.088 0.952 -6.088 1.00 0.00 O ATOM 562 CB GLU A 39 14.568 -1.957 -6.682 1.00 0.00 C ATOM 563 CG GLU A 39 15.562 -3.106 -6.450 1.00 0.00 C ATOM 564 CD GLU A 39 16.693 -2.665 -5.521 1.00 0.00 C ATOM 565 OE1 GLU A 39 17.344 -1.635 -5.796 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.783 -3.202 -4.398 1.00 0.00 O ATOM 0 H GLU A 39 12.664 -2.956 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 39 14.806 -1.180 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.740 -2.321 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.061 -1.170 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.042 -3.961 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.975 -3.434 -7.404 1.00 0.00 H new ATOM 573 N ASN A 40 12.094 0.188 -5.467 1.00 0.00 N ATOM 574 CA ASN A 40 11.258 1.327 -5.851 1.00 0.00 C ATOM 575 C ASN A 40 10.395 1.754 -4.650 1.00 0.00 C ATOM 576 O ASN A 40 10.579 1.320 -3.518 1.00 0.00 O ATOM 577 CB ASN A 40 10.419 0.944 -7.094 1.00 0.00 C ATOM 578 CG ASN A 40 11.157 1.063 -8.426 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.545 1.203 -9.471 1.00 0.00 O ATOM 580 ND2 ASN A 40 12.474 1.028 -8.454 1.00 0.00 N ATOM 0 H ASN A 40 11.545 -0.537 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 40 11.869 2.187 -6.126 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.071 -0.082 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.534 1.579 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.968 1.118 -9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.000 0.911 -7.588 1.00 0.00 H new ATOM 587 N ARG A 41 9.488 2.700 -4.886 1.00 0.00 N ATOM 588 CA ARG A 41 8.636 3.318 -3.867 1.00 0.00 C ATOM 589 C ARG A 41 7.149 2.938 -3.996 1.00 0.00 C ATOM 590 O ARG A 41 6.275 3.740 -3.675 1.00 0.00 O ATOM 591 CB ARG A 41 8.895 4.828 -3.910 1.00 0.00 C ATOM 592 CG ARG A 41 8.585 5.483 -5.266 1.00 0.00 C ATOM 593 CD ARG A 41 9.847 6.096 -5.871 1.00 0.00 C ATOM 594 NE ARG A 41 10.069 7.486 -5.424 1.00 0.00 N ATOM 595 CZ ARG A 41 11.218 8.036 -5.048 1.00 0.00 C ATOM 596 NH1 ARG A 41 12.358 7.376 -5.009 1.00 0.00 N ATOM 597 NH2 ARG A 41 11.230 9.293 -4.684 1.00 0.00 N ATOM 0 H ARG A 41 9.319 3.071 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 41 8.898 2.932 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.293 5.310 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.940 5.013 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.173 4.740 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.826 6.254 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.709 5.488 -5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.773 6.075 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 41 9.248 8.091 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.387 6.392 -5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.211 7.849 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.366 9.835 -4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.104 9.731 -4.392 1.00 0.00 H new ATOM 611 N SER A 42 6.835 1.745 -4.503 1.00 0.00 N ATOM 612 CA SER A 42 5.463 1.310 -4.787 1.00 0.00 C ATOM 613 C SER A 42 5.112 -0.082 -4.256 1.00 0.00 C ATOM 614 O SER A 42 5.973 -0.939 -4.061 1.00 0.00 O ATOM 615 CB SER A 42 5.244 1.259 -6.308 1.00 0.00 C ATOM 616 OG SER A 42 6.291 0.556 -6.972 1.00 0.00 O ATOM 0 H SER A 42 7.537 1.041 -4.732 1.00 0.00 H new ATOM 0 HA SER A 42 4.828 2.038 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.290 0.776 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.183 2.274 -6.700 1.00 0.00 H new ATOM 0 HG SER A 42 6.116 0.543 -7.936 1.00 0.00 H new ATOM 622 N ALA A 43 3.803 -0.320 -4.144 1.00 0.00 N ATOM 623 CA ALA A 43 3.182 -1.551 -3.658 1.00 0.00 C ATOM 624 C ALA A 43 2.068 -2.005 -4.606 1.00 0.00 C ATOM 625 O ALA A 43 1.288 -1.190 -5.101 1.00 0.00 O ATOM 626 CB ALA A 43 2.599 -1.259 -2.267 1.00 0.00 C ATOM 0 H ALA A 43 3.110 0.382 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 43 3.922 -2.350 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.127 -2.159 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.399 -0.946 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.857 -0.464 -2.343 1.00 0.00 H new ATOM 632 N ILE A 44 1.971 -3.314 -4.820 1.00 0.00 N ATOM 633 CA ILE A 44 0.867 -3.990 -5.496 1.00 0.00 C ATOM 634 C ILE A 44 0.164 -4.791 -4.402 1.00 0.00 C ATOM 635 O ILE A 44 0.758 -5.686 -3.795 1.00 0.00 O ATOM 636 CB ILE A 44 1.385 -4.871 -6.653 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.086 -3.990 -7.717 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.211 -5.652 -7.273 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.784 -4.787 -8.826 1.00 0.00 C ATOM 0 H ILE A 44 2.695 -3.964 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 44 0.173 -3.295 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 44 2.114 -5.585 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.348 -3.328 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.821 -3.356 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.578 -6.273 -8.090 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.247 -6.285 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.531 -4.951 -7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.250 -4.098 -9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.548 -5.429 -8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.051 -5.401 -9.350 1.00 0.00 H new ATOM 651 N VAL A 45 -1.073 -4.409 -4.111 1.00 0.00 N ATOM 652 CA VAL A 45 -1.862 -4.874 -2.964 1.00 0.00 C ATOM 653 C VAL A 45 -3.074 -5.627 -3.515 1.00 0.00 C ATOM 654 O VAL A 45 -3.738 -5.123 -4.417 1.00 0.00 O ATOM 655 CB VAL A 45 -2.327 -3.680 -2.108 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.964 -4.198 -0.808 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.188 -2.705 -1.750 1.00 0.00 C ATOM 0 H VAL A 45 -1.580 -3.739 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.259 -5.523 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.049 -3.128 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.293 -3.354 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.821 -4.828 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.231 -4.780 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.584 -1.888 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.420 -3.234 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.753 -2.302 -2.665 1.00 0.00 H new ATOM 667 N VAL A 46 -3.358 -6.819 -2.999 1.00 0.00 N ATOM 668 CA VAL A 46 -4.326 -7.780 -3.547 1.00 0.00 C ATOM 669 C VAL A 46 -5.389 -8.042 -2.481 1.00 0.00 C ATOM 670 O VAL A 46 -5.106 -8.660 -1.460 1.00 0.00 O ATOM 671 CB VAL A 46 -3.605 -9.069 -3.939 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.493 -10.165 -4.540 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.368 -8.845 -4.836 1.00 0.00 C ATOM 0 H VAL A 46 -2.904 -7.162 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.804 -7.383 -4.442 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.267 -9.439 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.883 -11.035 -4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.259 -10.449 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.969 -9.791 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.911 -9.806 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.673 -8.352 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.647 -8.219 -4.311 1.00 0.00 H new ATOM 683 N TYR A 47 -6.606 -7.536 -2.662 1.00 0.00 N ATOM 684 CA TYR A 47 -7.642 -7.505 -1.621 1.00 0.00 C ATOM 685 C TYR A 47 -8.973 -8.114 -2.082 1.00 0.00 C ATOM 686 O TYR A 47 -9.347 -8.031 -3.249 1.00 0.00 O ATOM 687 CB TYR A 47 -7.836 -6.061 -1.135 1.00 0.00 C ATOM 688 CG TYR A 47 -8.442 -5.140 -2.175 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.616 -4.543 -3.146 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.830 -4.913 -2.204 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.168 -3.712 -4.135 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.389 -4.111 -3.216 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.563 -3.516 -4.191 1.00 0.00 C ATOM 694 OH TYR A 47 -10.114 -2.797 -5.204 1.00 0.00 O ATOM 0 H TYR A 47 -6.909 -7.129 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.298 -8.128 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.476 -6.068 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.871 -5.659 -0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.552 -4.725 -3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.466 -5.354 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.524 -3.224 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.457 -3.950 -3.246 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.087 -2.762 -5.089 1.00 0.00 H new ATOM 704 N ASN A 48 -9.710 -8.717 -1.157 1.00 0.00 N ATOM 705 CA ASN A 48 -11.025 -9.299 -1.409 1.00 0.00 C ATOM 706 C ASN A 48 -12.136 -8.264 -1.165 1.00 0.00 C ATOM 707 O ASN A 48 -12.115 -7.531 -0.177 1.00 0.00 O ATOM 708 CB ASN A 48 -11.202 -10.547 -0.530 1.00 0.00 C ATOM 709 CG ASN A 48 -12.587 -11.154 -0.708 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.456 -11.016 0.137 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.870 -11.780 -1.835 1.00 0.00 N ATOM 0 H ASN A 48 -9.404 -8.818 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.098 -9.599 -2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.443 -11.286 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.050 -10.283 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.809 -12.144 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.149 -11.900 -2.547 1.00 0.00 H new ATOM 780 N PRO A 54 -10.184 1.820 -3.974 1.00 0.00 N ATOM 781 CA PRO A 54 -8.761 1.528 -3.790 1.00 0.00 C ATOM 782 C PRO A 54 -8.131 2.519 -2.811 1.00 0.00 C ATOM 783 O PRO A 54 -7.126 2.179 -2.191 1.00 0.00 O ATOM 784 CB PRO A 54 -8.136 1.612 -5.185 1.00 0.00 C ATOM 785 CG PRO A 54 -9.057 2.572 -5.934 1.00 0.00 C ATOM 786 CD PRO A 54 -10.427 2.253 -5.346 1.00 0.00 C ATOM 0 HA PRO A 54 -8.595 0.542 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.113 1.987 -5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.098 0.635 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.778 3.613 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.029 2.402 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.075 3.129 -5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.926 1.472 -5.919 1.00 0.00 H new ATOM 794 N GLU A 55 -8.723 3.705 -2.588 1.00 0.00 N ATOM 795 CA GLU A 55 -8.151 4.651 -1.635 1.00 0.00 C ATOM 796 C GLU A 55 -8.228 4.174 -0.172 1.00 0.00 C ATOM 797 O GLU A 55 -7.563 4.742 0.686 1.00 0.00 O ATOM 798 CB GLU A 55 -8.698 6.079 -1.830 1.00 0.00 C ATOM 799 CG GLU A 55 -7.542 7.034 -1.520 1.00 0.00 C ATOM 800 CD GLU A 55 -7.850 8.514 -1.625 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.796 9.007 -2.769 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.826 9.194 -0.577 1.00 0.00 O ATOM 0 H GLU A 55 -9.578 4.020 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.086 4.693 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.056 6.221 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.543 6.265 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.189 6.828 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.719 6.807 -2.197 1.00 0.00 H new ATOM 809 N SER A 56 -8.960 3.098 0.131 1.00 0.00 N ATOM 810 CA SER A 56 -8.893 2.444 1.444 1.00 0.00 C ATOM 811 C SER A 56 -7.486 1.898 1.748 1.00 0.00 C ATOM 812 O SER A 56 -6.946 2.105 2.837 1.00 0.00 O ATOM 813 CB SER A 56 -9.917 1.303 1.493 1.00 0.00 C ATOM 814 OG SER A 56 -9.707 0.351 0.458 1.00 0.00 O ATOM 0 H SER A 56 -9.611 2.658 -0.520 1.00 0.00 H new ATOM 0 HA SER A 56 -9.122 3.191 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.858 0.805 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.923 1.715 1.407 1.00 0.00 H new ATOM 0 HG SER A 56 -10.379 -0.359 0.526 1.00 0.00 H new ATOM 820 N LEU A 57 -6.864 1.227 0.770 1.00 0.00 N ATOM 821 CA LEU A 57 -5.497 0.736 0.877 1.00 0.00 C ATOM 822 C LEU A 57 -4.498 1.902 0.835 1.00 0.00 C ATOM 823 O LEU A 57 -3.599 1.936 1.669 1.00 0.00 O ATOM 824 CB LEU A 57 -5.216 -0.282 -0.235 1.00 0.00 C ATOM 825 CG LEU A 57 -6.145 -1.516 -0.353 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.674 -2.326 -1.566 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.190 -2.436 0.877 1.00 0.00 C ATOM 0 H LEU A 57 -7.306 1.011 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.375 0.234 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.246 0.249 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.197 -0.645 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.161 -1.133 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.306 -3.207 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.740 -1.710 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.641 -2.638 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.870 -3.266 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.191 -2.824 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.541 -1.871 1.741 1.00 0.00 H new ATOM 839 N ARG A 58 -4.683 2.894 -0.055 1.00 0.00 N ATOM 840 CA ARG A 58 -3.889 4.139 -0.090 1.00 0.00 C ATOM 841 C ARG A 58 -3.809 4.792 1.296 1.00 0.00 C ATOM 842 O ARG A 58 -2.721 5.120 1.766 1.00 0.00 O ATOM 843 CB ARG A 58 -4.489 5.110 -1.126 1.00 0.00 C ATOM 844 CG ARG A 58 -3.582 6.288 -1.528 1.00 0.00 C ATOM 845 CD ARG A 58 -3.819 7.642 -0.825 1.00 0.00 C ATOM 846 NE ARG A 58 -4.714 8.549 -1.580 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.680 9.881 -1.628 1.00 0.00 C ATOM 848 NH1 ARG A 58 -3.829 10.625 -0.954 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.555 10.517 -2.373 1.00 0.00 N ATOM 0 H ARG A 58 -5.398 2.854 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.870 3.891 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.743 4.546 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.421 5.510 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.548 5.993 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.688 6.443 -2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.246 7.461 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.860 8.136 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.446 8.100 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.138 10.186 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.861 11.641 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.249 9.992 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.541 11.536 -2.419 1.00 0.00 H new ATOM 863 N LYS A 59 -4.946 4.911 1.989 1.00 0.00 N ATOM 864 CA LYS A 59 -5.027 5.341 3.385 1.00 0.00 C ATOM 865 C LYS A 59 -4.317 4.421 4.382 1.00 0.00 C ATOM 866 O LYS A 59 -3.685 4.948 5.288 1.00 0.00 O ATOM 867 CB LYS A 59 -6.504 5.544 3.765 1.00 0.00 C ATOM 868 CG LYS A 59 -6.895 7.026 3.752 1.00 0.00 C ATOM 869 CD LYS A 59 -6.588 7.752 2.437 1.00 0.00 C ATOM 870 CE LYS A 59 -6.813 9.256 2.591 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.192 9.979 1.464 1.00 0.00 N ATOM 0 H LYS A 59 -5.858 4.705 1.582 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.483 6.283 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.138 4.995 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.685 5.129 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.962 7.109 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.373 7.534 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.556 7.561 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.224 7.363 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.881 9.470 2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.387 9.601 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.436 10.988 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.159 9.869 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.543 9.589 0.566 1.00 0.00 H new ATOM 885 N ALA A 60 -4.349 3.094 4.228 1.00 0.00 N ATOM 886 CA ALA A 60 -3.555 2.205 5.085 1.00 0.00 C ATOM 887 C ALA A 60 -2.042 2.442 4.909 1.00 0.00 C ATOM 888 O ALA A 60 -1.293 2.404 5.880 1.00 0.00 O ATOM 889 CB ALA A 60 -3.963 0.757 4.808 1.00 0.00 C ATOM 0 H ALA A 60 -4.910 2.614 3.525 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.762 2.428 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.379 0.087 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.023 0.630 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.778 0.521 3.760 1.00 0.00 H new ATOM 895 N ILE A 61 -1.604 2.787 3.690 1.00 0.00 N ATOM 896 CA ILE A 61 -0.220 3.216 3.423 1.00 0.00 C ATOM 897 C ILE A 61 0.066 4.579 4.071 1.00 0.00 C ATOM 898 O ILE A 61 0.978 4.674 4.894 1.00 0.00 O ATOM 899 CB ILE A 61 0.116 3.201 1.906 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.230 1.868 1.212 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.607 3.499 1.699 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.004 1.847 -0.302 1.00 0.00 C ATOM 0 H ILE A 61 -2.197 2.777 2.860 1.00 0.00 H new ATOM 0 HA ILE A 61 0.446 2.488 3.886 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.504 3.972 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.366 1.075 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.276 1.633 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.836 3.487 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.842 4.481 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.203 2.741 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.276 0.868 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.621 2.612 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.046 2.046 -0.516 1.00 0.00 H new ATOM 914 N GLU A 62 -0.734 5.616 3.790 1.00 0.00 N ATOM 915 CA GLU A 62 -0.604 6.925 4.441 1.00 0.00 C ATOM 916 C GLU A 62 -0.679 6.833 5.974 1.00 0.00 C ATOM 917 O GLU A 62 -0.104 7.677 6.648 1.00 0.00 O ATOM 918 CB GLU A 62 -1.643 7.928 3.895 1.00 0.00 C ATOM 919 CG GLU A 62 -1.358 8.257 2.427 1.00 0.00 C ATOM 920 CD GLU A 62 -2.287 9.238 1.703 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.525 9.225 1.904 1.00 0.00 O ATOM 922 OE2 GLU A 62 -1.774 9.923 0.789 1.00 0.00 O ATOM 0 H GLU A 62 -1.489 5.571 3.105 1.00 0.00 H new ATOM 0 HA GLU A 62 0.391 7.296 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.645 7.510 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.621 8.842 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.345 8.655 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.366 7.320 1.870 1.00 0.00 H new ATOM 929 N ALA A 63 -1.279 5.780 6.543 1.00 0.00 N ATOM 930 CA ALA A 63 -1.332 5.521 7.984 1.00 0.00 C ATOM 931 C ALA A 63 -0.146 4.713 8.547 1.00 0.00 C ATOM 932 O ALA A 63 -0.141 4.412 9.739 1.00 0.00 O ATOM 933 CB ALA A 63 -2.682 4.864 8.309 1.00 0.00 C ATOM 0 H ALA A 63 -1.755 5.064 5.995 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.241 6.483 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.741 4.663 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.492 5.534 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.773 3.928 7.758 1.00 0.00 H new ATOM 939 N VAL A 64 0.870 4.410 7.731 1.00 0.00 N ATOM 940 CA VAL A 64 2.125 3.771 8.175 1.00 0.00 C ATOM 941 C VAL A 64 3.228 4.797 8.408 1.00 0.00 C ATOM 942 O VAL A 64 4.093 4.614 9.260 1.00 0.00 O ATOM 943 CB VAL A 64 2.601 2.655 7.217 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.593 3.043 6.130 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.301 1.582 8.055 1.00 0.00 C ATOM 0 H VAL A 64 0.848 4.602 6.730 1.00 0.00 H new ATOM 0 HA VAL A 64 1.899 3.294 9.129 1.00 0.00 H new ATOM 0 HB VAL A 64 1.692 2.342 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.840 2.165 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.150 3.805 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.500 3.437 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.648 0.780 7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.153 2.023 8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.601 1.178 8.787 1.00 0.00 H new ATOM 955 N SER A 65 3.200 5.903 7.663 1.00 0.00 N ATOM 956 CA SER A 65 4.043 7.064 7.941 1.00 0.00 C ATOM 957 C SER A 65 3.313 8.385 7.629 1.00 0.00 C ATOM 958 O SER A 65 3.710 9.112 6.717 1.00 0.00 O ATOM 959 CB SER A 65 5.438 6.926 7.318 1.00 0.00 C ATOM 960 OG SER A 65 5.811 5.593 7.036 1.00 0.00 O ATOM 0 H SER A 65 2.593 6.018 6.851 1.00 0.00 H new ATOM 0 HA SER A 65 4.233 7.101 9.014 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.472 7.505 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.172 7.363 7.995 1.00 0.00 H new ATOM 0 HG SER A 65 5.813 5.452 6.066 1.00 0.00 H new ATOM 966 N PRO A 66 2.229 8.693 8.369 1.00 0.00 N ATOM 967 CA PRO A 66 1.397 9.873 8.155 1.00 0.00 C ATOM 968 C PRO A 66 2.183 11.172 8.294 1.00 0.00 C ATOM 969 O PRO A 66 3.034 11.310 9.170 1.00 0.00 O ATOM 970 CB PRO A 66 0.236 9.775 9.155 1.00 0.00 C ATOM 971 CG PRO A 66 0.708 8.750 10.188 1.00 0.00 C ATOM 972 CD PRO A 66 1.608 7.837 9.365 1.00 0.00 C ATOM 0 HA PRO A 66 1.018 9.896 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.029 10.739 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.683 9.452 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.250 9.221 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.127 8.205 10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.359 7.358 9.993 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.032 7.041 8.893 1.00 0.00 H new ATOM 980 N GLY A 67 1.911 12.122 7.391 1.00 0.00 N ATOM 981 CA GLY A 67 2.622 13.404 7.293 1.00 0.00 C ATOM 982 C GLY A 67 3.956 13.312 6.543 1.00 0.00 C ATOM 983 O GLY A 67 4.424 14.320 6.011 1.00 0.00 O ATOM 0 H GLY A 67 1.175 12.019 6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.981 14.127 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.805 13.786 8.297 1.00 0.00 H new ATOM 987 N LEU A 68 4.553 12.119 6.466 1.00 0.00 N ATOM 988 CA LEU A 68 5.759 11.820 5.689 1.00 0.00 C ATOM 989 C LEU A 68 5.375 11.296 4.298 1.00 0.00 C ATOM 990 O LEU A 68 5.767 11.861 3.280 1.00 0.00 O ATOM 991 CB LEU A 68 6.594 10.818 6.506 1.00 0.00 C ATOM 992 CG LEU A 68 7.909 10.393 5.837 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.857 11.582 5.652 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.578 9.336 6.713 1.00 0.00 C ATOM 0 H LEU A 68 4.195 11.303 6.963 1.00 0.00 H new ATOM 0 HA LEU A 68 6.360 12.712 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.821 11.259 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.992 9.929 6.693 1.00 0.00 H new ATOM 0 HG LEU A 68 7.686 9.992 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.777 11.243 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.379 12.334 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.090 12.016 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.515 9.022 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.781 9.755 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.917 8.475 6.814 1.00 0.00 H new ATOM 1006 N TYR A 69 4.547 10.257 4.264 1.00 0.00 N ATOM 1007 CA TYR A 69 4.089 9.563 3.065 1.00 0.00 C ATOM 1008 C TYR A 69 3.128 10.380 2.201 1.00 0.00 C ATOM 1009 O TYR A 69 1.997 10.679 2.583 1.00 0.00 O ATOM 1010 CB TYR A 69 3.403 8.258 3.479 1.00 0.00 C ATOM 1011 CG TYR A 69 4.313 7.072 3.701 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.696 7.197 3.949 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.748 5.795 3.583 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.482 6.047 4.128 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.542 4.648 3.645 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.914 4.766 3.956 1.00 0.00 C ATOM 1017 OH TYR A 69 6.663 3.649 4.147 1.00 0.00 O ATOM 0 H TYR A 69 4.157 9.855 5.117 1.00 0.00 H new ATOM 0 HA TYR A 69 4.973 9.380 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.845 8.440 4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.676 7.994 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.150 8.176 4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.682 5.696 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.523 6.143 4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.109 3.677 3.456 1.00 0.00 H new ATOM 0 HH TYR A 69 6.187 3.034 4.743 1.00 0.00 H new ATOM 1027 N ARG A 70 3.567 10.666 0.981 1.00 0.00 N ATOM 1028 CA ARG A 70 2.748 11.202 -0.098 1.00 0.00 C ATOM 1029 C ARG A 70 2.308 10.027 -0.954 1.00 0.00 C ATOM 1030 O ARG A 70 3.114 9.553 -1.742 1.00 0.00 O ATOM 1031 CB ARG A 70 3.605 12.131 -0.963 1.00 0.00 C ATOM 1032 CG ARG A 70 3.636 13.573 -0.456 1.00 0.00 C ATOM 1033 CD ARG A 70 4.256 13.677 0.944 1.00 0.00 C ATOM 1034 NE ARG A 70 4.576 15.071 1.308 1.00 0.00 N ATOM 1035 CZ ARG A 70 5.030 15.471 2.492 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.444 14.617 3.398 1.00 0.00 N ATOM 1037 NH2 ARG A 70 5.067 16.749 2.803 1.00 0.00 N ATOM 0 H ARG A 70 4.539 10.526 0.707 1.00 0.00 H new ATOM 0 HA ARG A 70 1.894 11.751 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.623 11.744 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.223 12.120 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.205 14.190 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.622 13.971 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.565 13.261 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.164 13.075 0.983 1.00 0.00 H new ATOM 0 HE ARG A 70 4.438 15.786 0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.423 13.616 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.787 14.954 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.745 17.447 2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.418 17.042 3.715 1.00 0.00 H new ATOM 1051 N VAL A 71 1.086 9.536 -0.805 1.00 0.00 N ATOM 1052 CA VAL A 71 0.662 8.298 -1.509 1.00 0.00 C ATOM 1053 C VAL A 71 -0.385 8.562 -2.580 1.00 0.00 C ATOM 1054 O VAL A 71 -1.294 9.368 -2.405 1.00 0.00 O ATOM 1055 CB VAL A 71 0.203 7.164 -0.573 1.00 0.00 C ATOM 1056 CG1 VAL A 71 0.164 5.796 -1.283 1.00 0.00 C ATOM 1057 CG2 VAL A 71 1.143 7.028 0.630 1.00 0.00 C ATOM 0 H VAL A 71 0.368 9.957 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 71 1.571 7.947 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.802 7.436 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.166 5.031 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.530 5.841 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.160 5.548 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.795 6.220 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.151 6.805 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.152 7.962 1.192 1.00 0.00 H new ATOM 1067 N SER A 72 -0.232 7.880 -3.715 1.00 0.00 N ATOM 1068 CA SER A 72 -1.067 8.038 -4.901 1.00 0.00 C ATOM 1069 C SER A 72 -1.294 6.712 -5.651 1.00 0.00 C ATOM 1070 O SER A 72 -0.536 5.756 -5.508 1.00 0.00 O ATOM 1071 CB SER A 72 -0.388 9.056 -5.814 1.00 0.00 C ATOM 1072 OG SER A 72 -0.325 10.322 -5.182 1.00 0.00 O ATOM 0 H SER A 72 0.500 7.181 -3.836 1.00 0.00 H new ATOM 0 HA SER A 72 -2.054 8.381 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.617 8.717 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.939 9.137 -6.751 1.00 0.00 H new ATOM 0 HG SER A 72 0.114 10.964 -5.778 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.341 6.659 -6.479 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.664 5.551 -7.399 1.00 0.00 C ATOM 1080 C ILE A 73 -2.243 5.983 -8.803 1.00 0.00 C ATOM 1081 O ILE A 73 -2.733 6.999 -9.298 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.186 5.258 -7.373 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.673 4.918 -5.948 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.534 4.109 -8.344 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.197 4.861 -5.807 1.00 0.00 C ATOM 0 H ILE A 73 -3.020 7.418 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.140 4.643 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.701 6.163 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.255 3.956 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.282 5.662 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.607 3.918 -8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.245 4.389 -9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.996 3.208 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.458 4.617 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.623 5.829 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.596 4.096 -6.474 1.00 0.00 H new ATOM 1097 N THR A 74 -1.328 5.246 -9.435 1.00 0.00 N ATOM 1098 CA THR A 74 -0.770 5.619 -10.738 1.00 0.00 C ATOM 1099 C THR A 74 -1.644 5.041 -11.846 1.00 0.00 C ATOM 1100 O THR A 74 -1.663 3.835 -12.068 1.00 0.00 O ATOM 1101 CB THR A 74 0.704 5.184 -10.857 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.251 4.806 -9.610 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.546 6.361 -11.331 1.00 0.00 C ATOM 0 H THR A 74 -0.953 4.375 -9.060 1.00 0.00 H new ATOM 0 HA THR A 74 -0.773 6.704 -10.839 1.00 0.00 H new ATOM 0 HB THR A 74 0.721 4.343 -11.550 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.185 4.536 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.588 6.053 -11.415 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.187 6.696 -12.304 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.466 7.178 -10.614 1.00 0.00 H new