USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 680 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -141:sc= -1.33! USER MOD Single : A 9 SER OG : rot -42:sc= 1.85 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0203 (180deg=-0.302) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.35 USER MOD Single : A 20 HIS : no HE2:sc= -17.7! C(o=-18!,f=-21!) USER MOD Single : A 21 ASN : amide:sc= -0.256 K(o=-0.26,f=1) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 80:sc= 0.898 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.613 USER MOD Single : A 56 SER OG : rot 180:sc= 0.027 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.53! USER MOD Single : A 58 THR OG1 : rot 180:sc= -4.77! USER MOD Single : A 59 SER OG : rot -28:sc= 0.285 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 112:sc= -5.11! USER MOD Single : A 72 ASN : amide:sc= -4.58! C(o=-4.6!,f=-8.1!) USER MOD Single : A 73 TYR OH : rot 138:sc= -1.6! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -15.5! C(o=-15!,f=-20!) USER MOD Single : A 93 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 18.815 -0.166 2.831 1.00 0.00 N ATOM 23 CA LYS A 2 17.787 -1.213 2.574 1.00 0.00 C ATOM 24 C LYS A 2 16.600 -1.006 3.517 1.00 0.00 C ATOM 25 O LYS A 2 16.776 -0.720 4.684 1.00 0.00 O ATOM 26 CB LYS A 2 18.396 -2.596 2.817 1.00 0.00 C ATOM 27 CG LYS A 2 19.799 -2.651 2.208 1.00 0.00 C ATOM 28 CD LYS A 2 20.837 -2.773 3.326 1.00 0.00 C ATOM 29 CE LYS A 2 21.120 -4.251 3.600 1.00 0.00 C ATOM 30 NZ LYS A 2 22.065 -4.372 4.746 1.00 0.00 N ATOM 0 HA LYS A 2 17.447 -1.142 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.444 -2.801 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.765 -3.366 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.879 -3.500 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.987 -1.753 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.757 -2.263 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.471 -2.288 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.191 -4.775 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.545 -4.721 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.258 -5.377 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.955 -3.886 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.643 -3.938 5.591 1.00 0.00 H new ATOM 44 N PRO A 3 15.425 -1.153 2.970 1.00 0.00 N ATOM 45 CA PRO A 3 14.307 -0.227 3.218 1.00 0.00 C ATOM 46 C PRO A 3 13.658 -0.525 4.572 1.00 0.00 C ATOM 47 O PRO A 3 13.008 -1.536 4.748 1.00 0.00 O ATOM 48 CB PRO A 3 13.333 -0.530 2.076 1.00 0.00 C ATOM 49 CG PRO A 3 13.662 -1.963 1.595 1.00 0.00 C ATOM 50 CD PRO A 3 15.103 -2.261 2.050 1.00 0.00 C ATOM 0 HA PRO A 3 14.615 0.818 3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.300 -0.462 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.449 0.189 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.964 -2.684 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.575 -2.037 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.172 -3.227 2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.790 -2.290 1.205 1.00 0.00 H new ATOM 58 N LYS A 4 13.820 0.348 5.530 1.00 0.00 N ATOM 59 CA LYS A 4 13.203 0.107 6.861 1.00 0.00 C ATOM 60 C LYS A 4 11.732 0.516 6.806 1.00 0.00 C ATOM 61 O LYS A 4 11.364 1.586 7.245 1.00 0.00 O ATOM 62 CB LYS A 4 13.927 0.941 7.920 1.00 0.00 C ATOM 63 CG LYS A 4 13.998 0.153 9.230 1.00 0.00 C ATOM 64 CD LYS A 4 15.093 0.742 10.121 1.00 0.00 C ATOM 65 CE LYS A 4 14.654 0.673 11.585 1.00 0.00 C ATOM 66 NZ LYS A 4 14.747 -0.734 12.067 1.00 0.00 N ATOM 0 H LYS A 4 14.352 1.214 5.446 1.00 0.00 H new ATOM 0 HA LYS A 4 13.284 -0.949 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.932 1.190 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.402 1.883 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.037 0.192 9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.207 -0.897 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.024 0.191 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.290 1.776 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.284 1.320 12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.631 1.036 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.449 -0.780 13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.128 -1.340 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.729 -1.065 11.984 1.00 0.00 H new ATOM 80 N ILE A 5 10.893 -0.329 6.263 1.00 0.00 N ATOM 81 CA ILE A 5 9.440 0.001 6.169 1.00 0.00 C ATOM 82 C ILE A 5 8.769 -0.283 7.515 1.00 0.00 C ATOM 83 O ILE A 5 8.691 -1.412 7.958 1.00 0.00 O ATOM 84 CB ILE A 5 8.800 -0.848 5.064 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.433 -0.271 4.691 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.624 -2.286 5.547 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.334 -0.135 3.171 1.00 0.00 C ATOM 0 H ILE A 5 11.154 -1.237 5.879 1.00 0.00 H new ATOM 0 HA ILE A 5 9.311 1.056 5.925 1.00 0.00 H new ATOM 0 HB ILE A 5 9.452 -0.836 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.639 -0.920 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.296 0.702 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.169 -2.882 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.597 -2.705 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.980 -2.298 6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.360 0.276 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.119 0.531 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.452 -1.115 2.710 1.00 0.00 H new ATOM 99 N LEU A 6 8.297 0.739 8.177 1.00 0.00 N ATOM 100 CA LEU A 6 7.646 0.535 9.502 1.00 0.00 C ATOM 101 C LEU A 6 6.139 0.781 9.391 1.00 0.00 C ATOM 102 O LEU A 6 5.424 0.692 10.369 1.00 0.00 O ATOM 103 CB LEU A 6 8.247 1.509 10.517 1.00 0.00 C ATOM 104 CG LEU A 6 8.870 0.723 11.672 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.342 0.444 11.365 1.00 0.00 C ATOM 106 CD2 LEU A 6 8.766 1.544 12.960 1.00 0.00 C ATOM 0 H LEU A 6 8.334 1.707 7.857 1.00 0.00 H new ATOM 0 HA LEU A 6 7.816 -0.491 9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.003 2.131 10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.475 2.180 10.894 1.00 0.00 H new ATOM 0 HG LEU A 6 8.340 -0.221 11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.786 -0.116 12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.418 -0.139 10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.873 1.388 11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.209 0.985 13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.297 2.488 12.834 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.717 1.744 13.180 1.00 0.00 H new ATOM 118 N THR A 7 5.656 1.097 8.214 1.00 0.00 N ATOM 119 CA THR A 7 4.191 1.354 8.037 1.00 0.00 C ATOM 120 C THR A 7 3.372 0.434 8.946 1.00 0.00 C ATOM 121 O THR A 7 3.813 -0.630 9.332 1.00 0.00 O ATOM 122 CB THR A 7 3.791 1.080 6.587 1.00 0.00 C ATOM 123 OG1 THR A 7 2.385 0.889 6.523 1.00 0.00 O ATOM 124 CG2 THR A 7 4.500 -0.179 6.083 1.00 0.00 C ATOM 0 H THR A 7 6.214 1.188 7.365 1.00 0.00 H new ATOM 0 HA THR A 7 3.993 2.394 8.295 1.00 0.00 H new ATOM 0 HB THR A 7 4.079 1.926 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.180 0.177 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.212 -0.370 5.049 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.579 -0.036 6.138 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.215 -1.030 6.702 1.00 0.00 H new ATOM 132 N ALA A 8 2.177 0.835 9.282 1.00 0.00 N ATOM 133 CA ALA A 8 1.322 -0.014 10.158 1.00 0.00 C ATOM 134 C ALA A 8 1.040 -1.337 9.457 1.00 0.00 C ATOM 135 O ALA A 8 1.477 -2.389 9.879 1.00 0.00 O ATOM 136 CB ALA A 8 0.003 0.707 10.438 1.00 0.00 C ATOM 0 H ALA A 8 1.755 1.716 8.987 1.00 0.00 H new ATOM 0 HA ALA A 8 1.838 -0.202 11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.622 0.086 11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.205 1.655 10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.515 0.895 9.498 1.00 0.00 H new ATOM 142 N SER A 9 0.311 -1.282 8.389 1.00 0.00 N ATOM 143 CA SER A 9 -0.016 -2.525 7.636 1.00 0.00 C ATOM 144 C SER A 9 -0.777 -3.487 8.550 1.00 0.00 C ATOM 145 O SER A 9 -0.251 -3.967 9.535 1.00 0.00 O ATOM 146 CB SER A 9 1.281 -3.182 7.160 1.00 0.00 C ATOM 147 OG SER A 9 1.615 -4.254 8.032 1.00 0.00 O ATOM 0 H SER A 9 -0.079 -0.425 7.997 1.00 0.00 H new ATOM 0 HA SER A 9 -0.637 -2.281 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.162 -3.551 6.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.087 -2.449 7.141 1.00 0.00 H new ATOM 0 HG SER A 9 1.453 -3.984 8.960 1.00 0.00 H new ATOM 153 N ARG A 10 -2.013 -3.772 8.238 1.00 0.00 N ATOM 154 CA ARG A 10 -2.798 -4.700 9.098 1.00 0.00 C ATOM 155 C ARG A 10 -4.171 -4.947 8.482 1.00 0.00 C ATOM 156 O ARG A 10 -4.455 -6.006 7.957 1.00 0.00 O ATOM 157 CB ARG A 10 -2.969 -4.081 10.487 1.00 0.00 C ATOM 158 CG ARG A 10 -3.982 -4.898 11.289 1.00 0.00 C ATOM 159 CD ARG A 10 -3.368 -5.294 12.633 1.00 0.00 C ATOM 160 NE ARG A 10 -4.454 -5.541 13.621 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.652 -6.744 14.086 1.00 0.00 C ATOM 162 NH1 ARG A 10 -4.404 -7.782 13.335 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.098 -6.909 15.301 1.00 0.00 N ATOM 0 H ARG A 10 -2.510 -3.403 7.427 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.267 -5.648 9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.011 -4.058 11.007 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.308 -3.049 10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.890 -4.316 11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.269 -5.789 10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.757 -6.189 12.516 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.709 -4.503 12.991 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.043 -4.770 13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.056 -7.653 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.559 -8.723 13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.292 -6.097 15.888 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.253 -7.850 15.664 1.00 0.00 H new ATOM 177 N LYS A 11 -5.018 -3.970 8.537 1.00 0.00 N ATOM 178 CA LYS A 11 -6.380 -4.119 7.959 1.00 0.00 C ATOM 179 C LYS A 11 -7.129 -2.805 8.135 1.00 0.00 C ATOM 180 O LYS A 11 -6.725 -1.954 8.901 1.00 0.00 O ATOM 181 CB LYS A 11 -7.144 -5.239 8.664 1.00 0.00 C ATOM 182 CG LYS A 11 -7.176 -4.969 10.170 1.00 0.00 C ATOM 183 CD LYS A 11 -8.338 -5.736 10.803 1.00 0.00 C ATOM 184 CE LYS A 11 -8.096 -7.240 10.661 1.00 0.00 C ATOM 185 NZ LYS A 11 -6.968 -7.647 11.545 1.00 0.00 N ATOM 0 H LYS A 11 -4.827 -3.062 8.961 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.297 -4.371 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.160 -5.302 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.667 -6.199 8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.234 -5.275 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.288 -3.901 10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.432 -5.470 11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.275 -5.461 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.998 -7.791 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.867 -7.486 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.994 -8.677 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.066 -7.382 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.056 -7.167 12.463 1.00 0.00 H new ATOM 199 N ILE A 12 -8.191 -2.607 7.409 1.00 0.00 N ATOM 200 CA ILE A 12 -8.914 -1.317 7.525 1.00 0.00 C ATOM 201 C ILE A 12 -10.393 -1.485 7.171 1.00 0.00 C ATOM 202 O ILE A 12 -10.770 -2.352 6.413 1.00 0.00 O ATOM 203 CB ILE A 12 -8.253 -0.347 6.553 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.746 -0.355 6.826 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.821 1.057 6.744 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.046 0.680 5.964 1.00 0.00 C ATOM 0 H ILE A 12 -8.585 -3.276 6.747 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.865 -0.946 8.549 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.448 -0.651 5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.560 -0.146 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.338 -1.345 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.342 1.742 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.895 1.043 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.632 1.390 7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.976 0.661 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.217 0.453 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.442 1.670 6.190 1.00 0.00 H new ATOM 218 N LYS A 13 -11.232 -0.645 7.711 1.00 0.00 N ATOM 219 CA LYS A 13 -12.685 -0.731 7.399 1.00 0.00 C ATOM 220 C LYS A 13 -13.055 0.467 6.525 1.00 0.00 C ATOM 221 O LYS A 13 -13.632 1.431 6.986 1.00 0.00 O ATOM 222 CB LYS A 13 -13.495 -0.690 8.697 1.00 0.00 C ATOM 223 CG LYS A 13 -12.764 -1.484 9.782 1.00 0.00 C ATOM 224 CD LYS A 13 -13.654 -1.593 11.022 1.00 0.00 C ATOM 225 CE LYS A 13 -13.074 -2.637 11.978 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.186 -3.387 12.628 1.00 0.00 N ATOM 0 H LYS A 13 -10.972 0.100 8.357 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.905 -1.663 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.634 0.342 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.488 -1.109 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.513 -2.478 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.825 -0.992 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.721 -0.626 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.667 -1.873 10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.427 -3.325 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.458 -2.151 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.792 -4.097 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.786 -2.725 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.756 -3.863 11.900 1.00 0.00 H new ATOM 240 N ILE A 14 -12.702 0.423 5.270 1.00 0.00 N ATOM 241 CA ILE A 14 -13.006 1.569 4.370 1.00 0.00 C ATOM 242 C ILE A 14 -14.467 1.508 3.906 1.00 0.00 C ATOM 243 O ILE A 14 -14.835 0.710 3.070 1.00 0.00 O ATOM 244 CB ILE A 14 -12.064 1.517 3.162 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.667 1.097 3.621 1.00 0.00 C ATOM 246 CG2 ILE A 14 -11.974 2.899 2.529 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.654 1.326 2.492 1.00 0.00 C ATOM 0 H ILE A 14 -12.216 -0.358 4.829 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.858 2.505 4.909 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.449 0.799 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.377 1.669 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.671 0.046 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.304 2.863 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.965 3.215 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.588 3.610 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.662 1.024 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.939 0.734 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.641 2.382 2.224 1.00 0.00 H new ATOM 259 N LYS A 15 -15.307 2.352 4.438 1.00 0.00 N ATOM 260 CA LYS A 15 -16.737 2.337 4.017 1.00 0.00 C ATOM 261 C LYS A 15 -16.810 2.257 2.490 1.00 0.00 C ATOM 262 O LYS A 15 -15.865 2.580 1.798 1.00 0.00 O ATOM 263 CB LYS A 15 -17.424 3.617 4.499 1.00 0.00 C ATOM 264 CG LYS A 15 -18.526 3.261 5.497 1.00 0.00 C ATOM 265 CD LYS A 15 -17.895 2.787 6.808 1.00 0.00 C ATOM 266 CE LYS A 15 -18.389 3.664 7.960 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.258 2.857 8.862 1.00 0.00 N ATOM 0 H LYS A 15 -15.067 3.049 5.143 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.240 1.474 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.695 4.279 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.847 4.156 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.160 4.129 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.165 2.480 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.155 1.745 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.808 2.837 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.541 4.064 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.944 4.517 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.594 3.453 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.074 2.496 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.714 2.057 9.244 1.00 0.00 H new ATOM 281 N ALA A 16 -17.920 1.824 1.956 1.00 0.00 N ATOM 282 CA ALA A 16 -18.040 1.722 0.473 1.00 0.00 C ATOM 283 C ALA A 16 -18.222 3.121 -0.126 1.00 0.00 C ATOM 284 O ALA A 16 -18.641 4.038 0.547 1.00 0.00 O ATOM 285 CB ALA A 16 -19.247 0.853 0.115 1.00 0.00 C ATOM 0 H ALA A 16 -18.747 1.537 2.480 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.134 1.270 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.334 0.779 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.116 -0.143 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.153 1.303 0.522 1.00 0.00 H new ATOM 291 N GLY A 17 -17.912 3.290 -1.386 1.00 0.00 N ATOM 292 CA GLY A 17 -18.067 4.630 -2.022 1.00 0.00 C ATOM 293 C GLY A 17 -17.463 5.698 -1.111 1.00 0.00 C ATOM 294 O GLY A 17 -17.887 6.836 -1.107 1.00 0.00 O ATOM 0 H GLY A 17 -17.558 2.557 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.573 4.643 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.122 4.841 -2.198 1.00 0.00 H new ATOM 298 N PHE A 18 -16.483 5.336 -0.328 1.00 0.00 N ATOM 299 CA PHE A 18 -15.861 6.331 0.597 1.00 0.00 C ATOM 300 C PHE A 18 -14.446 6.680 0.134 1.00 0.00 C ATOM 301 O PHE A 18 -13.950 6.159 -0.847 1.00 0.00 O ATOM 302 CB PHE A 18 -15.797 5.749 2.010 1.00 0.00 C ATOM 303 CG PHE A 18 -17.046 6.137 2.758 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.258 6.224 2.073 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.993 6.411 4.130 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.426 6.585 2.756 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.159 6.772 4.816 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.376 6.859 4.128 1.00 0.00 C ATOM 0 H PHE A 18 -16.086 4.397 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.470 7.235 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.706 4.664 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.915 6.122 2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.296 6.013 1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.054 6.344 4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.364 6.652 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.120 6.983 5.874 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.276 7.138 4.656 1.00 0.00 H new ATOM 318 N THR A 19 -13.795 7.563 0.845 1.00 0.00 N ATOM 319 CA THR A 19 -12.411 7.961 0.467 1.00 0.00 C ATOM 320 C THR A 19 -11.439 7.541 1.573 1.00 0.00 C ATOM 321 O THR A 19 -11.671 7.779 2.741 1.00 0.00 O ATOM 322 CB THR A 19 -12.352 9.480 0.284 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.714 10.117 1.501 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.320 9.901 -0.822 1.00 0.00 C ATOM 0 H THR A 19 -14.166 8.026 1.675 1.00 0.00 H new ATOM 0 HA THR A 19 -12.132 7.471 -0.466 1.00 0.00 H new ATOM 0 HB THR A 19 -11.339 9.773 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.539 9.512 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.277 10.982 -0.951 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.040 9.413 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.334 9.608 -0.549 1.00 0.00 H new ATOM 332 N HIS A 20 -10.355 6.910 1.211 1.00 0.00 N ATOM 333 CA HIS A 20 -9.367 6.465 2.241 1.00 0.00 C ATOM 334 C HIS A 20 -8.002 7.090 1.952 1.00 0.00 C ATOM 335 O HIS A 20 -7.672 7.392 0.823 1.00 0.00 O ATOM 336 CB HIS A 20 -9.230 4.945 2.172 1.00 0.00 C ATOM 337 CG HIS A 20 -9.122 4.360 3.546 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.201 4.297 4.410 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.075 3.767 4.201 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.786 3.680 5.527 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.494 3.340 5.455 1.00 0.00 N ATOM 0 H HIS A 20 -10.109 6.682 0.248 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.711 6.774 3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.092 4.520 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.348 4.681 1.588 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.140 4.654 4.231 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.078 3.650 3.804 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.418 3.482 6.380 1.00 0.00 H new ATOM 349 N ASN A 21 -7.196 7.265 2.963 1.00 0.00 N ATOM 350 CA ASN A 21 -5.843 7.844 2.743 1.00 0.00 C ATOM 351 C ASN A 21 -4.802 6.857 3.270 1.00 0.00 C ATOM 352 O ASN A 21 -4.318 6.973 4.379 1.00 0.00 O ATOM 353 CB ASN A 21 -5.717 9.178 3.480 1.00 0.00 C ATOM 354 CG ASN A 21 -6.518 9.123 4.782 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.203 8.355 5.670 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.547 9.910 4.934 1.00 0.00 N ATOM 0 H ASN A 21 -7.417 7.032 3.931 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.684 8.021 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.669 9.389 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.083 9.989 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.088 9.881 5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.811 10.554 4.189 1.00 0.00 H new ATOM 363 N LEU A 22 -4.471 5.876 2.480 1.00 0.00 N ATOM 364 CA LEU A 22 -3.480 4.853 2.910 1.00 0.00 C ATOM 365 C LEU A 22 -2.109 5.501 3.122 1.00 0.00 C ATOM 366 O LEU A 22 -1.629 6.247 2.291 1.00 0.00 O ATOM 367 CB LEU A 22 -3.383 3.792 1.819 1.00 0.00 C ATOM 368 CG LEU A 22 -2.442 2.675 2.257 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.903 1.362 1.629 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.021 2.987 1.788 1.00 0.00 C ATOM 0 H LEU A 22 -4.850 5.738 1.543 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.798 4.402 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.372 3.384 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.021 4.242 0.895 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.453 2.592 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.235 0.557 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.918 1.138 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.886 1.452 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.350 2.187 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.006 3.067 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.692 3.929 2.226 1.00 0.00 H new ATOM 382 N GLU A 23 -1.474 5.215 4.230 1.00 0.00 N ATOM 383 CA GLU A 23 -0.133 5.810 4.498 1.00 0.00 C ATOM 384 C GLU A 23 0.895 4.697 4.738 1.00 0.00 C ATOM 385 O GLU A 23 0.566 3.616 5.185 1.00 0.00 O ATOM 386 CB GLU A 23 -0.212 6.704 5.738 1.00 0.00 C ATOM 387 CG GLU A 23 -1.586 7.374 5.798 1.00 0.00 C ATOM 388 CD GLU A 23 -1.695 8.201 7.081 1.00 0.00 C ATOM 389 OE1 GLU A 23 -0.913 9.125 7.235 1.00 0.00 O ATOM 390 OE2 GLU A 23 -2.559 7.897 7.886 1.00 0.00 O ATOM 0 H GLU A 23 -1.827 4.595 4.959 1.00 0.00 H new ATOM 0 HA GLU A 23 0.174 6.402 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.045 6.112 6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.572 7.460 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.729 8.014 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.372 6.619 5.771 1.00 0.00 H new ATOM 397 N VAL A 24 2.138 4.963 4.441 1.00 0.00 N ATOM 398 CA VAL A 24 3.209 3.941 4.641 1.00 0.00 C ATOM 399 C VAL A 24 4.558 4.660 4.750 1.00 0.00 C ATOM 400 O VAL A 24 4.701 5.786 4.317 1.00 0.00 O ATOM 401 CB VAL A 24 3.231 2.983 3.442 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.576 2.251 3.374 1.00 0.00 C ATOM 403 CG2 VAL A 24 2.111 1.955 3.590 1.00 0.00 C ATOM 0 H VAL A 24 2.462 5.854 4.064 1.00 0.00 H new ATOM 0 HA VAL A 24 3.018 3.371 5.550 1.00 0.00 H new ATOM 0 HB VAL A 24 3.089 3.560 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.579 1.574 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.381 2.978 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.726 1.679 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.127 1.275 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.256 1.388 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.150 2.467 3.627 1.00 0.00 H new ATOM 413 N ASP A 25 5.549 4.024 5.317 1.00 0.00 N ATOM 414 CA ASP A 25 6.876 4.691 5.439 1.00 0.00 C ATOM 415 C ASP A 25 7.992 3.651 5.456 1.00 0.00 C ATOM 416 O ASP A 25 7.870 2.602 6.057 1.00 0.00 O ATOM 417 CB ASP A 25 6.919 5.509 6.732 1.00 0.00 C ATOM 418 CG ASP A 25 8.238 6.280 6.805 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.248 5.662 7.097 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.215 7.477 6.569 1.00 0.00 O ATOM 0 H ASP A 25 5.497 3.079 5.698 1.00 0.00 H new ATOM 0 HA ASP A 25 7.021 5.349 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.078 6.202 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.822 4.850 7.595 1.00 0.00 H new ATOM 425 N PHE A 26 9.091 3.936 4.804 1.00 0.00 N ATOM 426 CA PHE A 26 10.214 2.958 4.800 1.00 0.00 C ATOM 427 C PHE A 26 11.523 3.654 4.424 1.00 0.00 C ATOM 428 O PHE A 26 11.579 4.448 3.508 1.00 0.00 O ATOM 429 CB PHE A 26 9.918 1.823 3.815 1.00 0.00 C ATOM 430 CG PHE A 26 9.821 2.360 2.407 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.983 2.546 1.649 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.568 2.659 1.854 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.894 3.029 0.339 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.480 3.144 0.545 1.00 0.00 C ATOM 435 CZ PHE A 26 9.643 3.329 -0.213 1.00 0.00 C ATOM 0 H PHE A 26 9.256 4.795 4.280 1.00 0.00 H new ATOM 0 HA PHE A 26 10.317 2.539 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.704 1.070 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.985 1.330 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.948 2.317 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.671 2.515 2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.790 3.170 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.515 3.376 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.575 3.703 -1.224 1.00 0.00 H new ATOM 445 N ILE A 27 12.576 3.364 5.143 1.00 0.00 N ATOM 446 CA ILE A 27 13.889 4.013 4.848 1.00 0.00 C ATOM 447 C ILE A 27 14.686 3.164 3.855 1.00 0.00 C ATOM 448 O ILE A 27 15.521 2.367 4.232 1.00 0.00 O ATOM 449 CB ILE A 27 14.681 4.162 6.148 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.096 5.319 6.953 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.151 4.457 5.835 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.605 5.076 7.188 1.00 0.00 C ATOM 0 H ILE A 27 12.584 2.706 5.922 1.00 0.00 H new ATOM 0 HA ILE A 27 13.713 4.995 4.409 1.00 0.00 H new ATOM 0 HB ILE A 27 14.617 3.236 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.615 5.411 7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.242 6.258 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.707 4.562 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.570 3.637 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.223 5.382 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.188 5.903 7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.092 5.006 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.471 4.146 7.740 1.00 0.00 H new ATOM 464 N GLY A 28 14.442 3.338 2.589 1.00 0.00 N ATOM 465 CA GLY A 28 15.191 2.545 1.572 1.00 0.00 C ATOM 466 C GLY A 28 15.910 3.487 0.604 1.00 0.00 C ATOM 467 O GLY A 28 15.534 4.630 0.441 1.00 0.00 O ATOM 0 H GLY A 28 13.758 3.994 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.914 1.895 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.505 1.900 1.023 1.00 0.00 H new ATOM 471 N ALA A 29 16.943 3.012 -0.041 1.00 0.00 N ATOM 472 CA ALA A 29 17.691 3.872 -1.005 1.00 0.00 C ATOM 473 C ALA A 29 19.059 3.238 -1.290 1.00 0.00 C ATOM 474 O ALA A 29 19.418 2.254 -0.675 1.00 0.00 O ATOM 475 CB ALA A 29 17.871 5.270 -0.411 1.00 0.00 C ATOM 0 H ALA A 29 17.302 2.062 0.059 1.00 0.00 H new ATOM 0 HA ALA A 29 17.133 3.955 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.417 5.897 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.894 5.711 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.431 5.200 0.522 1.00 0.00 H new ATOM 481 N PRO A 30 19.772 3.803 -2.234 1.00 0.00 N ATOM 482 CA PRO A 30 19.333 4.998 -2.979 1.00 0.00 C ATOM 483 C PRO A 30 18.215 4.646 -3.958 1.00 0.00 C ATOM 484 O PRO A 30 18.102 3.526 -4.417 1.00 0.00 O ATOM 485 CB PRO A 30 20.594 5.448 -3.721 1.00 0.00 C ATOM 486 CG PRO A 30 21.507 4.208 -3.809 1.00 0.00 C ATOM 487 CD PRO A 30 21.083 3.275 -2.659 1.00 0.00 C ATOM 0 HA PRO A 30 18.927 5.776 -2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.348 5.822 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.090 6.260 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.396 3.712 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.556 4.490 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.007 2.240 -2.992 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.805 3.295 -1.842 1.00 0.00 H new ATOM 495 N ASP A 31 17.390 5.602 -4.274 1.00 0.00 N ATOM 496 CA ASP A 31 16.266 5.352 -5.217 1.00 0.00 C ATOM 497 C ASP A 31 15.639 3.985 -4.921 1.00 0.00 C ATOM 498 O ASP A 31 15.887 3.025 -5.623 1.00 0.00 O ATOM 499 CB ASP A 31 16.786 5.377 -6.656 1.00 0.00 C ATOM 500 CG ASP A 31 15.619 5.608 -7.618 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.612 6.139 -7.179 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.753 5.249 -8.776 1.00 0.00 O ATOM 0 H ASP A 31 17.446 6.555 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 31 15.512 6.129 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.528 6.167 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.283 4.436 -6.890 1.00 0.00 H new ATOM 507 N PRO A 32 14.846 3.944 -3.882 1.00 0.00 N ATOM 508 CA PRO A 32 14.162 2.712 -3.449 1.00 0.00 C ATOM 509 C PRO A 32 12.932 2.450 -4.320 1.00 0.00 C ATOM 510 O PRO A 32 12.334 3.362 -4.855 1.00 0.00 O ATOM 511 CB PRO A 32 13.731 3.029 -2.015 1.00 0.00 C ATOM 512 CG PRO A 32 13.660 4.571 -1.919 1.00 0.00 C ATOM 513 CD PRO A 32 14.558 5.123 -3.040 1.00 0.00 C ATOM 0 HA PRO A 32 14.793 1.827 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.764 2.580 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.444 2.626 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.634 4.920 -2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.003 4.915 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.053 5.905 -3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.473 5.560 -2.640 1.00 0.00 H new ATOM 521 N THR A 33 12.539 1.214 -4.453 1.00 0.00 N ATOM 522 CA THR A 33 11.335 0.906 -5.272 1.00 0.00 C ATOM 523 C THR A 33 10.193 0.518 -4.333 1.00 0.00 C ATOM 524 O THR A 33 10.419 0.041 -3.243 1.00 0.00 O ATOM 525 CB THR A 33 11.640 -0.258 -6.219 1.00 0.00 C ATOM 526 OG1 THR A 33 12.970 -0.136 -6.703 1.00 0.00 O ATOM 527 CG2 THR A 33 10.662 -0.231 -7.395 1.00 0.00 C ATOM 0 H THR A 33 12.998 0.407 -4.031 1.00 0.00 H new ATOM 0 HA THR A 33 11.053 1.778 -5.862 1.00 0.00 H new ATOM 0 HB THR A 33 11.533 -1.201 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.168 -0.881 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.880 -1.060 -8.069 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.642 -0.325 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.766 0.711 -7.933 1.00 0.00 H new ATOM 535 N ALA A 34 8.971 0.718 -4.735 1.00 0.00 N ATOM 536 CA ALA A 34 7.836 0.351 -3.841 1.00 0.00 C ATOM 537 C ALA A 34 6.595 0.064 -4.684 1.00 0.00 C ATOM 538 O ALA A 34 5.920 0.962 -5.147 1.00 0.00 O ATOM 539 CB ALA A 34 7.550 1.499 -2.870 1.00 0.00 C ATOM 0 H ALA A 34 8.708 1.116 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 34 8.098 -0.540 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.720 1.226 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.436 1.694 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.290 2.395 -3.433 1.00 0.00 H new ATOM 545 N THR A 35 6.294 -1.188 -4.889 1.00 0.00 N ATOM 546 CA THR A 35 5.103 -1.548 -5.703 1.00 0.00 C ATOM 547 C THR A 35 3.878 -1.676 -4.797 1.00 0.00 C ATOM 548 O THR A 35 3.904 -2.356 -3.783 1.00 0.00 O ATOM 549 CB THR A 35 5.355 -2.882 -6.410 1.00 0.00 C ATOM 550 OG1 THR A 35 6.478 -2.757 -7.270 1.00 0.00 O ATOM 551 CG2 THR A 35 4.122 -3.268 -7.229 1.00 0.00 C ATOM 0 H THR A 35 6.825 -1.980 -4.526 1.00 0.00 H new ATOM 0 HA THR A 35 4.923 -0.769 -6.444 1.00 0.00 H new ATOM 0 HB THR A 35 5.552 -3.655 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.641 -3.611 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.302 -4.218 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.261 -3.365 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.923 -2.496 -7.972 1.00 0.00 H new ATOM 559 N TRP A 36 2.803 -1.031 -5.166 1.00 0.00 N ATOM 560 CA TRP A 36 1.560 -1.107 -4.352 1.00 0.00 C ATOM 561 C TRP A 36 0.665 -2.218 -4.920 1.00 0.00 C ATOM 562 O TRP A 36 -0.036 -2.051 -5.914 1.00 0.00 O ATOM 563 CB TRP A 36 0.841 0.245 -4.401 1.00 0.00 C ATOM 564 CG TRP A 36 1.233 1.056 -3.202 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.985 2.185 -3.225 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.916 0.813 -1.801 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.131 2.653 -1.933 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.494 1.841 -1.020 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.188 -0.188 -1.141 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.353 1.873 0.367 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.049 -0.160 0.256 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.628 0.867 1.007 1.00 0.00 C ATOM 0 H TRP A 36 2.735 -0.451 -6.003 1.00 0.00 H new ATOM 0 HA TRP A 36 1.797 -1.337 -3.313 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.103 0.777 -5.316 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.239 0.096 -4.417 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.402 2.644 -4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.648 3.497 -1.685 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.268 -0.984 -1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.801 2.670 0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.510 -0.938 0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.514 0.882 2.081 1.00 0.00 H new ATOM 583 N THR A 37 0.691 -3.368 -4.311 1.00 0.00 N ATOM 584 CA THR A 37 -0.141 -4.475 -4.835 1.00 0.00 C ATOM 585 C THR A 37 -1.389 -4.640 -3.995 1.00 0.00 C ATOM 586 O THR A 37 -1.465 -4.233 -2.853 1.00 0.00 O ATOM 587 CB THR A 37 0.645 -5.788 -4.833 1.00 0.00 C ATOM 588 OG1 THR A 37 1.844 -5.623 -4.089 1.00 0.00 O ATOM 589 CG2 THR A 37 0.980 -6.193 -6.269 1.00 0.00 C ATOM 0 H THR A 37 1.246 -3.585 -3.483 1.00 0.00 H new ATOM 0 HA THR A 37 -0.423 -4.228 -5.859 1.00 0.00 H new ATOM 0 HB THR A 37 0.040 -6.570 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.648 -5.696 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.540 -7.128 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.057 -6.326 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.582 -5.413 -6.736 1.00 0.00 H new ATOM 597 N VAL A 38 -2.367 -5.244 -4.579 1.00 0.00 N ATOM 598 CA VAL A 38 -3.643 -5.473 -3.882 1.00 0.00 C ATOM 599 C VAL A 38 -3.636 -6.891 -3.301 1.00 0.00 C ATOM 600 O VAL A 38 -2.595 -7.496 -3.138 1.00 0.00 O ATOM 601 CB VAL A 38 -4.757 -5.296 -4.909 1.00 0.00 C ATOM 602 CG1 VAL A 38 -4.959 -6.591 -5.676 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.046 -4.897 -4.212 1.00 0.00 C ATOM 0 H VAL A 38 -2.334 -5.598 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.794 -4.773 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.477 -4.508 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.756 -6.460 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.035 -6.858 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.232 -7.386 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.836 -4.773 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.332 -5.674 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.896 -3.958 -3.680 1.00 0.00 H new ATOM 650 N ALA A 43 -2.038 -9.628 -7.450 1.00 0.00 N ATOM 651 CA ALA A 43 -2.858 -8.544 -8.042 1.00 0.00 C ATOM 652 C ALA A 43 -2.239 -7.197 -7.675 1.00 0.00 C ATOM 653 O ALA A 43 -1.512 -7.083 -6.708 1.00 0.00 O ATOM 654 CB ALA A 43 -4.288 -8.618 -7.500 1.00 0.00 C ATOM 0 HA ALA A 43 -2.885 -8.656 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.885 -7.819 -7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.726 -9.582 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.272 -8.506 -6.416 1.00 0.00 H new ATOM 660 N ALA A 44 -2.519 -6.177 -8.433 1.00 0.00 N ATOM 661 CA ALA A 44 -1.947 -4.841 -8.118 1.00 0.00 C ATOM 662 C ALA A 44 -3.086 -3.834 -7.988 1.00 0.00 C ATOM 663 O ALA A 44 -4.112 -3.970 -8.624 1.00 0.00 O ATOM 664 CB ALA A 44 -1.003 -4.408 -9.241 1.00 0.00 C ATOM 0 H ALA A 44 -3.119 -6.210 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.389 -4.889 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.585 -3.429 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.195 -5.134 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.555 -4.353 -10.179 1.00 0.00 H new ATOM 670 N LEU A 45 -2.927 -2.816 -7.183 1.00 0.00 N ATOM 671 CA LEU A 45 -4.049 -1.824 -7.068 1.00 0.00 C ATOM 672 C LEU A 45 -3.594 -0.456 -7.572 1.00 0.00 C ATOM 673 O LEU A 45 -2.440 -0.091 -7.466 1.00 0.00 O ATOM 674 CB LEU A 45 -4.597 -1.738 -5.625 1.00 0.00 C ATOM 675 CG LEU A 45 -3.655 -0.982 -4.681 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.249 -1.509 -4.823 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.682 0.518 -4.984 1.00 0.00 C ATOM 0 H LEU A 45 -2.101 -2.627 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.871 -2.170 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.568 -1.242 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.759 -2.745 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.994 -1.137 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.587 -0.966 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.231 -2.570 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.911 -1.373 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.007 1.039 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.363 0.687 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.695 0.898 -4.851 1.00 0.00 H new ATOM 728 N LEU A 49 -8.266 3.336 -7.640 1.00 0.00 N ATOM 729 CA LEU A 49 -7.961 4.296 -6.552 1.00 0.00 C ATOM 730 C LEU A 49 -6.743 5.114 -6.971 1.00 0.00 C ATOM 731 O LEU A 49 -6.383 5.146 -8.129 1.00 0.00 O ATOM 732 CB LEU A 49 -7.659 3.521 -5.272 1.00 0.00 C ATOM 733 CG LEU A 49 -6.539 2.515 -5.535 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.290 2.927 -4.755 1.00 0.00 C ATOM 735 CD2 LEU A 49 -6.987 1.128 -5.077 1.00 0.00 C ATOM 0 HA LEU A 49 -8.807 4.959 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.365 4.209 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.554 3.003 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.312 2.493 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.491 2.210 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.971 3.918 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.517 2.947 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.190 0.408 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.212 1.152 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.879 0.833 -5.630 1.00 0.00 H new ATOM 747 N LEU A 50 -6.094 5.770 -6.057 1.00 0.00 N ATOM 748 CA LEU A 50 -4.889 6.561 -6.458 1.00 0.00 C ATOM 749 C LEU A 50 -3.687 6.055 -5.668 1.00 0.00 C ATOM 750 O LEU A 50 -3.837 5.398 -4.659 1.00 0.00 O ATOM 751 CB LEU A 50 -5.097 8.059 -6.196 1.00 0.00 C ATOM 752 CG LEU A 50 -6.549 8.333 -5.795 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.695 9.798 -5.383 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.466 8.046 -6.986 1.00 0.00 C ATOM 0 H LEU A 50 -6.334 5.798 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.719 6.432 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.425 8.393 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.846 8.630 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.824 7.691 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.728 9.994 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.039 10.005 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.422 10.440 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.501 8.240 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.191 8.690 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.361 7.003 -7.283 1.00 0.00 H new ATOM 766 N VAL A 51 -2.492 6.330 -6.116 1.00 0.00 N ATOM 767 CA VAL A 51 -1.312 5.823 -5.367 1.00 0.00 C ATOM 768 C VAL A 51 -0.122 6.774 -5.494 1.00 0.00 C ATOM 769 O VAL A 51 0.389 7.016 -6.570 1.00 0.00 O ATOM 770 CB VAL A 51 -0.920 4.449 -5.909 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.246 3.891 -5.092 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.115 3.504 -5.796 1.00 0.00 C ATOM 0 H VAL A 51 -2.285 6.874 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.582 5.751 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.620 4.540 -6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.525 2.911 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.098 4.567 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.053 3.797 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.840 2.522 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.410 3.414 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.949 3.901 -6.375 1.00 0.00 H new ATOM 782 N ASP A 52 0.340 7.281 -4.386 1.00 0.00 N ATOM 783 CA ASP A 52 1.522 8.185 -4.396 1.00 0.00 C ATOM 784 C ASP A 52 2.623 7.507 -3.582 1.00 0.00 C ATOM 785 O ASP A 52 2.351 6.659 -2.756 1.00 0.00 O ATOM 786 CB ASP A 52 1.156 9.529 -3.760 1.00 0.00 C ATOM 787 CG ASP A 52 0.103 9.312 -2.672 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.017 8.972 -3.019 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.433 9.490 -1.511 1.00 0.00 O ATOM 0 H ASP A 52 -0.056 7.105 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 52 1.856 8.371 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.044 9.995 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.773 10.210 -4.520 1.00 0.00 H new ATOM 794 N ALA A 53 3.861 7.836 -3.800 1.00 0.00 N ATOM 795 CA ALA A 53 4.919 7.150 -3.013 1.00 0.00 C ATOM 796 C ALA A 53 6.208 7.974 -2.986 1.00 0.00 C ATOM 797 O ALA A 53 6.540 8.671 -3.925 1.00 0.00 O ATOM 798 CB ALA A 53 5.181 5.779 -3.635 1.00 0.00 C ATOM 0 H ALA A 53 4.183 8.533 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 53 4.580 7.035 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.956 5.264 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.264 5.189 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.510 5.904 -4.667 1.00 0.00 H new ATOM 804 N LYS A 54 6.933 7.894 -1.901 1.00 0.00 N ATOM 805 CA LYS A 54 8.206 8.662 -1.775 1.00 0.00 C ATOM 806 C LYS A 54 9.382 7.697 -1.563 1.00 0.00 C ATOM 807 O LYS A 54 9.214 6.566 -1.156 1.00 0.00 O ATOM 808 CB LYS A 54 8.105 9.618 -0.585 1.00 0.00 C ATOM 809 CG LYS A 54 7.736 11.016 -1.084 1.00 0.00 C ATOM 810 CD LYS A 54 8.908 11.970 -0.848 1.00 0.00 C ATOM 811 CE LYS A 54 9.522 12.366 -2.192 1.00 0.00 C ATOM 812 NZ LYS A 54 11.006 12.267 -2.109 1.00 0.00 N ATOM 0 H LYS A 54 6.695 7.324 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 54 8.375 9.231 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.353 9.261 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.054 9.650 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.490 10.981 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.849 11.377 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.566 12.858 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.659 11.492 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.147 11.714 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.229 13.383 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.424 12.536 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.356 12.906 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.276 11.289 -1.879 1.00 0.00 H new ATOM 826 N SER A 55 10.573 8.139 -1.851 1.00 0.00 N ATOM 827 CA SER A 55 11.767 7.257 -1.694 1.00 0.00 C ATOM 828 C SER A 55 11.821 6.617 -0.298 1.00 0.00 C ATOM 829 O SER A 55 11.985 5.421 -0.165 1.00 0.00 O ATOM 830 CB SER A 55 13.032 8.088 -1.911 1.00 0.00 C ATOM 831 OG SER A 55 13.365 8.084 -3.293 1.00 0.00 O ATOM 0 H SER A 55 10.774 9.079 -2.191 1.00 0.00 H new ATOM 0 HA SER A 55 11.697 6.457 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.873 9.110 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.855 7.678 -1.326 1.00 0.00 H new ATOM 0 HG SER A 55 14.175 8.617 -3.436 1.00 0.00 H new ATOM 837 N SER A 56 11.716 7.393 0.744 1.00 0.00 N ATOM 838 CA SER A 56 11.803 6.802 2.114 1.00 0.00 C ATOM 839 C SER A 56 10.408 6.587 2.699 1.00 0.00 C ATOM 840 O SER A 56 10.236 6.529 3.901 1.00 0.00 O ATOM 841 CB SER A 56 12.589 7.747 3.022 1.00 0.00 C ATOM 842 OG SER A 56 12.988 8.890 2.276 1.00 0.00 O ATOM 0 H SER A 56 11.575 8.403 0.711 1.00 0.00 H new ATOM 0 HA SER A 56 12.307 5.838 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.976 8.048 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.464 7.238 3.426 1.00 0.00 H new ATOM 0 HG SER A 56 13.491 9.500 2.855 1.00 0.00 H new ATOM 848 N THR A 57 9.409 6.470 1.876 1.00 0.00 N ATOM 849 CA THR A 57 8.037 6.265 2.424 1.00 0.00 C ATOM 850 C THR A 57 7.053 6.127 1.271 1.00 0.00 C ATOM 851 O THR A 57 7.440 5.983 0.135 1.00 0.00 O ATOM 852 CB THR A 57 7.662 7.487 3.272 1.00 0.00 C ATOM 853 OG1 THR A 57 6.501 7.214 4.039 1.00 0.00 O ATOM 854 CG2 THR A 57 7.390 8.671 2.350 1.00 0.00 C ATOM 0 H THR A 57 9.477 6.506 0.859 1.00 0.00 H new ATOM 0 HA THR A 57 8.006 5.363 3.036 1.00 0.00 H new ATOM 0 HB THR A 57 8.486 7.720 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.272 8.000 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.123 9.543 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.284 8.891 1.767 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.568 8.427 1.677 1.00 0.00 H new ATOM 862 N THR A 58 5.784 6.191 1.548 1.00 0.00 N ATOM 863 CA THR A 58 4.790 6.094 0.453 1.00 0.00 C ATOM 864 C THR A 58 3.382 6.124 1.033 1.00 0.00 C ATOM 865 O THR A 58 3.165 5.806 2.181 1.00 0.00 O ATOM 866 CB THR A 58 4.980 4.793 -0.332 1.00 0.00 C ATOM 867 OG1 THR A 58 4.187 4.839 -1.506 1.00 0.00 O ATOM 868 CG2 THR A 58 4.538 3.608 0.522 1.00 0.00 C ATOM 0 H THR A 58 5.394 6.306 2.484 1.00 0.00 H new ATOM 0 HA THR A 58 4.934 6.940 -0.219 1.00 0.00 H new ATOM 0 HB THR A 58 6.031 4.679 -0.596 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.306 4.009 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.674 2.684 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.137 3.572 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.486 3.721 0.785 1.00 0.00 H new ATOM 876 N SER A 59 2.425 6.493 0.237 1.00 0.00 N ATOM 877 CA SER A 59 1.020 6.535 0.717 1.00 0.00 C ATOM 878 C SER A 59 0.116 6.492 -0.498 1.00 0.00 C ATOM 879 O SER A 59 0.440 7.025 -1.538 1.00 0.00 O ATOM 880 CB SER A 59 0.772 7.817 1.513 1.00 0.00 C ATOM 881 OG SER A 59 1.812 7.986 2.467 1.00 0.00 O ATOM 0 H SER A 59 2.556 6.770 -0.736 1.00 0.00 H new ATOM 0 HA SER A 59 0.817 5.688 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.736 8.675 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.194 7.765 2.016 1.00 0.00 H new ATOM 0 HG SER A 59 2.169 7.109 2.720 1.00 0.00 H new ATOM 887 N ILE A 60 -0.997 5.839 -0.404 1.00 0.00 N ATOM 888 CA ILE A 60 -1.859 5.755 -1.599 1.00 0.00 C ATOM 889 C ILE A 60 -3.304 6.115 -1.246 1.00 0.00 C ATOM 890 O ILE A 60 -3.724 6.048 -0.106 1.00 0.00 O ATOM 891 CB ILE A 60 -1.700 4.352 -2.200 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.527 3.328 -1.426 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.217 3.952 -2.108 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.362 1.951 -2.077 1.00 0.00 C ATOM 0 H ILE A 60 -1.343 5.368 0.432 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.560 6.480 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.044 4.370 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.203 3.293 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.578 3.619 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.082 2.956 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.388 4.668 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.095 3.948 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.951 1.216 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.707 1.993 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.311 1.663 -2.057 1.00 0.00 H new ATOM 906 N PHE A 61 -4.025 6.600 -2.219 1.00 0.00 N ATOM 907 CA PHE A 61 -5.410 7.098 -1.979 1.00 0.00 C ATOM 908 C PHE A 61 -6.507 6.095 -2.331 1.00 0.00 C ATOM 909 O PHE A 61 -6.313 5.168 -3.088 1.00 0.00 O ATOM 910 CB PHE A 61 -5.586 8.323 -2.858 1.00 0.00 C ATOM 911 CG PHE A 61 -5.324 9.543 -2.043 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.087 9.696 -1.422 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.310 10.515 -1.909 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.827 10.828 -0.659 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.062 11.653 -1.147 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.816 11.816 -0.517 1.00 0.00 C ATOM 0 H PHE A 61 -3.708 6.674 -3.186 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.514 7.300 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.901 8.281 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.596 8.352 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.329 8.935 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.266 10.387 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.868 10.948 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.825 12.409 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.619 12.698 0.074 1.00 0.00 H new ATOM 926 N PHE A 62 -7.684 6.337 -1.793 1.00 0.00 N ATOM 927 CA PHE A 62 -8.874 5.476 -2.068 1.00 0.00 C ATOM 928 C PHE A 62 -10.142 6.346 -2.057 1.00 0.00 C ATOM 929 O PHE A 62 -11.121 5.964 -1.450 1.00 0.00 O ATOM 930 CB PHE A 62 -9.085 4.464 -0.948 1.00 0.00 C ATOM 931 CG PHE A 62 -8.005 3.417 -0.879 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.694 3.766 -0.543 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.340 2.077 -1.101 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.716 2.769 -0.430 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.364 1.085 -0.997 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.053 1.429 -0.659 1.00 0.00 C ATOM 0 H PHE A 62 -7.868 7.115 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.702 4.982 -3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.131 4.991 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.048 3.974 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.436 4.800 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.356 1.810 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.703 3.034 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.622 0.052 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.299 0.661 -0.574 1.00 0.00 H new ATOM 946 N PRO A 63 -10.109 7.478 -2.707 1.00 0.00 N ATOM 947 CA PRO A 63 -11.275 8.380 -2.753 1.00 0.00 C ATOM 948 C PRO A 63 -12.431 7.694 -3.474 1.00 0.00 C ATOM 949 O PRO A 63 -13.565 8.126 -3.419 1.00 0.00 O ATOM 950 CB PRO A 63 -10.754 9.611 -3.500 1.00 0.00 C ATOM 951 CG PRO A 63 -9.515 9.130 -4.279 1.00 0.00 C ATOM 952 CD PRO A 63 -8.946 7.958 -3.464 1.00 0.00 C ATOM 0 HA PRO A 63 -11.668 8.651 -1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.511 10.009 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.494 10.410 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.784 8.813 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.781 9.929 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.537 7.180 -4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.141 8.280 -2.804 1.00 0.00 H new ATOM 960 N SER A 64 -12.145 6.608 -4.125 1.00 0.00 N ATOM 961 CA SER A 64 -13.212 5.851 -4.832 1.00 0.00 C ATOM 962 C SER A 64 -13.221 4.407 -4.315 1.00 0.00 C ATOM 963 O SER A 64 -13.211 3.468 -5.086 1.00 0.00 O ATOM 964 CB SER A 64 -12.930 5.850 -6.336 1.00 0.00 C ATOM 965 OG SER A 64 -12.303 7.074 -6.696 1.00 0.00 O ATOM 0 H SER A 64 -11.210 6.207 -4.200 1.00 0.00 H new ATOM 0 HA SER A 64 -14.179 6.319 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.288 5.009 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.859 5.727 -6.892 1.00 0.00 H new ATOM 0 HG SER A 64 -12.119 7.077 -7.659 1.00 0.00 H new ATOM 971 N ALA A 65 -13.229 4.215 -3.017 1.00 0.00 N ATOM 972 CA ALA A 65 -13.224 2.824 -2.481 1.00 0.00 C ATOM 973 C ALA A 65 -14.654 2.320 -2.306 1.00 0.00 C ATOM 974 O ALA A 65 -15.546 3.049 -1.901 1.00 0.00 O ATOM 975 CB ALA A 65 -12.516 2.782 -1.132 1.00 0.00 C ATOM 0 H ALA A 65 -13.239 4.955 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.697 2.186 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.519 1.761 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.487 3.122 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.035 3.433 -0.428 1.00 0.00 H new ATOM 981 N LYS A 66 -14.863 1.065 -2.598 1.00 0.00 N ATOM 982 CA LYS A 66 -16.218 0.464 -2.459 1.00 0.00 C ATOM 983 C LYS A 66 -16.080 -1.018 -2.106 1.00 0.00 C ATOM 984 O LYS A 66 -14.992 -1.518 -1.905 1.00 0.00 O ATOM 985 CB LYS A 66 -16.976 0.605 -3.780 1.00 0.00 C ATOM 986 CG LYS A 66 -16.703 1.984 -4.384 1.00 0.00 C ATOM 987 CD LYS A 66 -17.558 2.170 -5.639 1.00 0.00 C ATOM 988 CE LYS A 66 -16.938 1.391 -6.800 1.00 0.00 C ATOM 989 NZ LYS A 66 -17.602 1.785 -8.075 1.00 0.00 N ATOM 0 H LYS A 66 -14.143 0.424 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.767 0.978 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.665 -0.175 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.045 0.475 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.932 2.763 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.646 2.081 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.574 1.821 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.626 3.228 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.868 1.593 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.052 0.320 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.180 1.255 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.618 1.571 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.472 2.805 -8.234 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.174 -1.723 -2.022 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.103 -3.171 -1.676 1.00 0.00 C ATOM 1005 C ARG A 67 -16.015 -3.848 -2.513 1.00 0.00 C ATOM 1006 O ARG A 67 -15.282 -4.689 -2.033 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.454 -3.828 -1.964 1.00 0.00 C ATOM 1008 CG ARG A 67 -18.310 -5.349 -1.887 1.00 0.00 C ATOM 1009 CD ARG A 67 -18.536 -5.953 -3.274 1.00 0.00 C ATOM 1010 NE ARG A 67 -17.411 -6.870 -3.606 1.00 0.00 N ATOM 1011 CZ ARG A 67 -17.107 -7.850 -2.799 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -18.021 -8.712 -2.447 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -15.890 -7.966 -2.342 1.00 0.00 N ATOM 0 H ARG A 67 -18.114 -1.359 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.862 -3.280 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.197 -3.486 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.809 -3.535 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.318 -5.613 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.031 -5.758 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.481 -6.496 -3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.606 -5.161 -4.020 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.878 -6.732 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.973 -8.620 -2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.784 -9.478 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.176 -7.291 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.653 -8.732 -1.711 1.00 0.00 H new ATOM 1027 N ALA A 68 -15.910 -3.495 -3.764 1.00 0.00 N ATOM 1028 CA ALA A 68 -14.878 -4.119 -4.632 1.00 0.00 C ATOM 1029 C ALA A 68 -13.482 -3.837 -4.069 1.00 0.00 C ATOM 1030 O ALA A 68 -12.621 -4.695 -4.059 1.00 0.00 O ATOM 1031 CB ALA A 68 -14.981 -3.537 -6.043 1.00 0.00 C ATOM 0 H ALA A 68 -16.498 -2.799 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.042 -5.196 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.224 -3.994 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.971 -3.742 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.821 -2.460 -6.005 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.249 -2.639 -3.607 1.00 0.00 N ATOM 1038 CA ASP A 69 -11.908 -2.297 -3.052 1.00 0.00 C ATOM 1039 C ASP A 69 -11.582 -3.219 -1.875 1.00 0.00 C ATOM 1040 O ASP A 69 -10.445 -3.335 -1.463 1.00 0.00 O ATOM 1041 CB ASP A 69 -11.912 -0.844 -2.573 1.00 0.00 C ATOM 1042 CG ASP A 69 -10.472 -0.370 -2.367 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -9.950 -0.577 -1.284 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -9.916 0.191 -3.296 1.00 0.00 O ATOM 0 H ASP A 69 -13.931 -1.881 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.154 -2.426 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.413 -0.210 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.471 -0.759 -1.641 1.00 0.00 H new ATOM 1049 N SER A 70 -12.568 -3.874 -1.328 1.00 0.00 N ATOM 1050 CA SER A 70 -12.306 -4.785 -0.178 1.00 0.00 C ATOM 1051 C SER A 70 -11.338 -5.886 -0.610 1.00 0.00 C ATOM 1052 O SER A 70 -11.742 -6.929 -1.086 1.00 0.00 O ATOM 1053 CB SER A 70 -13.620 -5.415 0.284 1.00 0.00 C ATOM 1054 OG SER A 70 -14.659 -4.449 0.198 1.00 0.00 O ATOM 0 H SER A 70 -13.542 -3.818 -1.626 1.00 0.00 H new ATOM 0 HA SER A 70 -11.868 -4.217 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.859 -6.280 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.524 -5.773 1.309 1.00 0.00 H new ATOM 0 HG SER A 70 -15.289 -4.708 -0.506 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.062 -5.666 -0.448 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.075 -6.704 -0.851 1.00 0.00 C ATOM 1062 C GLY A 71 -7.865 -6.676 0.088 1.00 0.00 C ATOM 1063 O GLY A 71 -7.797 -5.900 1.030 1.00 0.00 O ATOM 0 H GLY A 71 -9.662 -4.814 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.541 -7.689 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.752 -6.530 -1.877 1.00 0.00 H new ATOM 1067 N ASN A 72 -6.903 -7.516 -0.171 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.687 -7.548 0.687 1.00 0.00 C ATOM 1069 C ASN A 72 -4.614 -6.679 0.039 1.00 0.00 C ATOM 1070 O ASN A 72 -3.813 -7.142 -0.748 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.182 -8.987 0.812 1.00 0.00 C ATOM 1072 CG ASN A 72 -4.587 -9.200 2.205 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -3.458 -8.829 2.460 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.304 -9.787 3.125 1.00 0.00 N ATOM 0 H ASN A 72 -6.907 -8.184 -0.942 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.921 -7.170 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.001 -9.687 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.430 -9.187 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.917 -9.934 4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.252 -10.099 2.912 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.596 -5.418 0.357 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.585 -4.515 -0.248 1.00 0.00 C ATOM 1083 C TYR A 73 -2.200 -4.863 0.284 1.00 0.00 C ATOM 1084 O TYR A 73 -1.854 -4.552 1.405 1.00 0.00 O ATOM 1085 CB TYR A 73 -3.934 -3.064 0.083 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.086 -2.630 -0.793 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.300 -3.329 -0.760 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.935 -1.539 -1.652 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.360 -2.934 -1.585 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.994 -1.145 -2.481 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.206 -1.842 -2.446 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.250 -1.454 -3.262 1.00 0.00 O ATOM 0 H TYR A 73 -5.240 -4.973 1.011 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.584 -4.640 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.204 -2.971 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.070 -2.420 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.418 -4.174 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.001 -0.998 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.296 -3.472 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.874 -0.303 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.320 -0.477 -3.261 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.403 -5.506 -0.523 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.034 -5.880 -0.082 1.00 0.00 C ATOM 1104 C LYS A 74 0.980 -4.996 -0.805 1.00 0.00 C ATOM 1105 O LYS A 74 0.988 -4.902 -2.017 1.00 0.00 O ATOM 1106 CB LYS A 74 0.229 -7.349 -0.418 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.210 -8.224 0.757 1.00 0.00 C ATOM 1108 CD LYS A 74 0.484 -9.584 0.671 1.00 0.00 C ATOM 1109 CE LYS A 74 -0.453 -10.670 1.203 1.00 0.00 C ATOM 1110 NZ LYS A 74 -0.026 -11.997 0.678 1.00 0.00 N ATOM 0 H LYS A 74 -1.644 -5.789 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 74 0.059 -5.739 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.316 -7.631 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.288 -7.503 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.039 -7.736 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.292 -8.355 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.758 -9.799 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.407 -9.570 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.438 -10.676 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.479 -10.460 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.663 -12.735 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.062 -11.987 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.946 -12.197 0.988 1.00 0.00 H new ATOM 1124 N LEU A 75 1.829 -4.341 -0.069 1.00 0.00 N ATOM 1125 CA LEU A 75 2.837 -3.456 -0.709 1.00 0.00 C ATOM 1126 C LEU A 75 4.230 -4.042 -0.481 1.00 0.00 C ATOM 1127 O LEU A 75 4.521 -4.587 0.564 1.00 0.00 O ATOM 1128 CB LEU A 75 2.727 -2.059 -0.086 1.00 0.00 C ATOM 1129 CG LEU A 75 4.036 -1.284 -0.250 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.756 0.069 -0.894 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.654 -1.065 1.129 1.00 0.00 C ATOM 0 H LEU A 75 1.869 -4.380 0.949 1.00 0.00 H new ATOM 0 HA LEU A 75 2.661 -3.382 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.913 -1.509 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.482 -2.147 0.972 1.00 0.00 H new ATOM 0 HG LEU A 75 4.720 -1.849 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.691 0.618 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.301 -0.081 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.076 0.639 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.588 -0.513 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.963 -0.496 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.852 -2.030 1.596 1.00 0.00 H new ATOM 1143 N LYS A 76 5.095 -3.934 -1.452 1.00 0.00 N ATOM 1144 CA LYS A 76 6.468 -4.491 -1.280 1.00 0.00 C ATOM 1145 C LYS A 76 7.492 -3.513 -1.853 1.00 0.00 C ATOM 1146 O LYS A 76 7.436 -3.153 -3.010 1.00 0.00 O ATOM 1147 CB LYS A 76 6.571 -5.828 -2.015 1.00 0.00 C ATOM 1148 CG LYS A 76 5.306 -6.649 -1.760 1.00 0.00 C ATOM 1149 CD LYS A 76 5.618 -8.137 -1.936 1.00 0.00 C ATOM 1150 CE LYS A 76 5.664 -8.476 -3.427 1.00 0.00 C ATOM 1151 NZ LYS A 76 4.361 -9.069 -3.842 1.00 0.00 N ATOM 0 H LYS A 76 4.913 -3.488 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 76 6.668 -4.643 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.698 -5.658 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.449 -6.377 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.935 -6.461 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.519 -6.348 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.573 -8.377 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.859 -8.740 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.869 -7.577 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.475 -9.177 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.392 -9.300 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.184 -9.936 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.597 -8.386 -3.665 1.00 0.00 H new ATOM 1165 N VAL A 77 8.430 -3.080 -1.055 1.00 0.00 N ATOM 1166 CA VAL A 77 9.453 -2.126 -1.569 1.00 0.00 C ATOM 1167 C VAL A 77 10.821 -2.818 -1.575 1.00 0.00 C ATOM 1168 O VAL A 77 11.053 -3.749 -0.833 1.00 0.00 O ATOM 1169 CB VAL A 77 9.461 -0.859 -0.690 1.00 0.00 C ATOM 1170 CG1 VAL A 77 8.053 -0.605 -0.150 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.420 -1.012 0.495 1.00 0.00 C ATOM 0 H VAL A 77 8.532 -3.344 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 77 9.217 -1.824 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 77 9.793 -0.023 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.058 0.290 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.364 -0.465 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.733 -1.459 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.404 -0.103 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.109 -1.858 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.431 -1.184 0.125 1.00 0.00 H new ATOM 1181 N LYS A 78 11.722 -2.390 -2.420 1.00 0.00 N ATOM 1182 CA LYS A 78 13.058 -3.051 -2.471 1.00 0.00 C ATOM 1183 C LYS A 78 14.168 -2.006 -2.610 1.00 0.00 C ATOM 1184 O LYS A 78 13.918 -0.818 -2.684 1.00 0.00 O ATOM 1185 CB LYS A 78 13.108 -4.006 -3.665 1.00 0.00 C ATOM 1186 CG LYS A 78 12.256 -3.449 -4.807 1.00 0.00 C ATOM 1187 CD LYS A 78 12.154 -4.493 -5.921 1.00 0.00 C ATOM 1188 CE LYS A 78 10.871 -4.263 -6.722 1.00 0.00 C ATOM 1189 NZ LYS A 78 11.217 -3.981 -8.143 1.00 0.00 N ATOM 0 H LYS A 78 11.592 -1.617 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 78 13.211 -3.606 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.138 -4.135 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.742 -4.990 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.262 -3.192 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.700 -2.532 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.022 -4.426 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.154 -5.496 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.229 -5.141 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.311 -3.428 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.345 -3.825 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.814 -3.131 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.734 -4.791 -8.542 1.00 0.00 H new ATOM 1203 N ASN A 79 15.398 -2.450 -2.648 1.00 0.00 N ATOM 1204 CA ASN A 79 16.543 -1.506 -2.780 1.00 0.00 C ATOM 1205 C ASN A 79 17.804 -2.288 -3.164 1.00 0.00 C ATOM 1206 O ASN A 79 18.494 -2.824 -2.319 1.00 0.00 O ATOM 1207 CB ASN A 79 16.779 -0.796 -1.445 1.00 0.00 C ATOM 1208 CG ASN A 79 15.827 0.394 -1.322 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.100 1.460 -1.837 1.00 0.00 O ATOM 1210 ND2 ASN A 79 14.716 0.255 -0.653 1.00 0.00 N ATOM 0 H ASN A 79 15.658 -3.435 -2.593 1.00 0.00 H new ATOM 0 HA ASN A 79 16.317 -0.769 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.619 -1.490 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.813 -0.456 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.074 1.042 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.489 -0.641 -0.222 1.00 0.00 H new ATOM 1217 N GLU A 80 18.110 -2.353 -4.430 1.00 0.00 N ATOM 1218 CA GLU A 80 19.326 -3.094 -4.872 1.00 0.00 C ATOM 1219 C GLU A 80 19.225 -4.570 -4.463 1.00 0.00 C ATOM 1220 O GLU A 80 18.773 -5.399 -5.228 1.00 0.00 O ATOM 1221 CB GLU A 80 20.566 -2.459 -4.240 1.00 0.00 C ATOM 1222 CG GLU A 80 21.820 -3.177 -4.743 1.00 0.00 C ATOM 1223 CD GLU A 80 22.402 -4.038 -3.621 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.122 -3.746 -2.470 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.118 -4.976 -3.932 1.00 0.00 O ATOM 0 H GLU A 80 17.569 -1.924 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 80 19.405 -3.039 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.614 -1.400 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.508 -2.525 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.575 -3.800 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.559 -2.449 -5.077 1.00 0.00 H new ATOM 1232 N LEU A 81 19.646 -4.913 -3.272 1.00 0.00 N ATOM 1233 CA LEU A 81 19.571 -6.341 -2.844 1.00 0.00 C ATOM 1234 C LEU A 81 18.705 -6.467 -1.591 1.00 0.00 C ATOM 1235 O LEU A 81 18.243 -7.537 -1.248 1.00 0.00 O ATOM 1236 CB LEU A 81 20.977 -6.863 -2.544 1.00 0.00 C ATOM 1237 CG LEU A 81 21.246 -8.113 -3.383 1.00 0.00 C ATOM 1238 CD1 LEU A 81 20.208 -9.185 -3.046 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.150 -7.759 -4.868 1.00 0.00 C ATOM 0 H LEU A 81 20.036 -4.270 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 81 19.127 -6.928 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.717 -6.095 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.071 -7.096 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 81 22.244 -8.492 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 81 20.399 -10.077 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.275 -9.436 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.210 -8.807 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.342 -8.649 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.152 -7.381 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.888 -6.994 -5.108 1.00 0.00 H new ATOM 1251 N GLY A 82 18.477 -5.384 -0.912 1.00 0.00 N ATOM 1252 CA GLY A 82 17.633 -5.437 0.316 1.00 0.00 C ATOM 1253 C GLY A 82 16.178 -5.200 -0.079 1.00 0.00 C ATOM 1254 O GLY A 82 15.886 -4.887 -1.214 1.00 0.00 O ATOM 0 H GLY A 82 18.837 -4.460 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.739 -6.405 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.958 -4.681 1.031 1.00 0.00 H new ATOM 1258 N GLU A 83 15.256 -5.340 0.834 1.00 0.00 N ATOM 1259 CA GLU A 83 13.831 -5.109 0.465 1.00 0.00 C ATOM 1260 C GLU A 83 12.916 -5.324 1.670 1.00 0.00 C ATOM 1261 O GLU A 83 13.138 -6.191 2.493 1.00 0.00 O ATOM 1262 CB GLU A 83 13.432 -6.077 -0.652 1.00 0.00 C ATOM 1263 CG GLU A 83 13.449 -7.509 -0.115 1.00 0.00 C ATOM 1264 CD GLU A 83 12.026 -7.933 0.252 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.258 -8.208 -0.655 1.00 0.00 O ATOM 1266 OE2 GLU A 83 11.728 -7.974 1.434 1.00 0.00 O ATOM 0 H GLU A 83 15.424 -5.601 1.806 1.00 0.00 H new ATOM 0 HA GLU A 83 13.723 -4.079 0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.438 -5.829 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.121 -5.984 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.859 -8.185 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.096 -7.573 0.760 1.00 0.00 H new ATOM 1273 N ASP A 84 11.880 -4.537 1.766 1.00 0.00 N ATOM 1274 CA ASP A 84 10.922 -4.674 2.896 1.00 0.00 C ATOM 1275 C ASP A 84 9.508 -4.836 2.327 1.00 0.00 C ATOM 1276 O ASP A 84 9.310 -4.825 1.126 1.00 0.00 O ATOM 1277 CB ASP A 84 10.992 -3.422 3.771 1.00 0.00 C ATOM 1278 CG ASP A 84 10.962 -3.829 5.245 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.181 -4.704 5.582 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.720 -3.259 6.012 1.00 0.00 O ATOM 0 H ASP A 84 11.655 -3.797 1.101 1.00 0.00 H new ATOM 0 HA ASP A 84 11.174 -5.545 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.903 -2.865 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.154 -2.762 3.548 1.00 0.00 H new ATOM 1285 N GLU A 85 8.519 -4.993 3.168 1.00 0.00 N ATOM 1286 CA GLU A 85 7.133 -5.166 2.647 1.00 0.00 C ATOM 1287 C GLU A 85 6.119 -5.006 3.786 1.00 0.00 C ATOM 1288 O GLU A 85 6.375 -5.371 4.916 1.00 0.00 O ATOM 1289 CB GLU A 85 7.006 -6.566 2.033 1.00 0.00 C ATOM 1290 CG GLU A 85 5.529 -6.941 1.871 1.00 0.00 C ATOM 1291 CD GLU A 85 5.147 -7.975 2.931 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.030 -8.684 3.385 1.00 0.00 O ATOM 1293 OE2 GLU A 85 3.977 -8.041 3.272 1.00 0.00 O ATOM 0 H GLU A 85 8.610 -5.009 4.184 1.00 0.00 H new ATOM 0 HA GLU A 85 6.930 -4.409 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.504 -6.592 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.507 -7.297 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.904 -6.054 1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.352 -7.344 0.874 1.00 0.00 H new ATOM 1300 N ALA A 86 4.966 -4.470 3.487 1.00 0.00 N ATOM 1301 CA ALA A 86 3.925 -4.291 4.538 1.00 0.00 C ATOM 1302 C ALA A 86 2.605 -4.895 4.048 1.00 0.00 C ATOM 1303 O ALA A 86 2.254 -4.786 2.889 1.00 0.00 O ATOM 1304 CB ALA A 86 3.733 -2.800 4.818 1.00 0.00 C ATOM 0 H ALA A 86 4.700 -4.148 2.556 1.00 0.00 H new ATOM 0 HA ALA A 86 4.239 -4.792 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.971 -2.669 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.674 -2.370 5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.417 -2.296 3.905 1.00 0.00 H new ATOM 1310 N ILE A 87 1.873 -5.536 4.920 1.00 0.00 N ATOM 1311 CA ILE A 87 0.579 -6.150 4.501 1.00 0.00 C ATOM 1312 C ILE A 87 -0.581 -5.241 4.918 1.00 0.00 C ATOM 1313 O ILE A 87 -0.602 -4.705 6.008 1.00 0.00 O ATOM 1314 CB ILE A 87 0.431 -7.522 5.168 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.646 -8.334 4.440 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.037 -7.347 6.638 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.015 -7.681 4.642 1.00 0.00 C ATOM 0 H ILE A 87 2.115 -5.661 5.903 1.00 0.00 H new ATOM 0 HA ILE A 87 0.565 -6.270 3.418 1.00 0.00 H new ATOM 0 HB ILE A 87 1.383 -8.051 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.414 -8.391 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.661 -9.356 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.067 -8.326 7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.808 -6.777 7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.911 -6.813 6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.776 -8.263 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.248 -7.647 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.997 -6.667 4.242 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.549 -5.066 4.059 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.707 -4.194 4.407 1.00 0.00 C ATOM 1331 C PHE A 88 -4.016 -4.900 4.038 1.00 0.00 C ATOM 1332 O PHE A 88 -4.415 -4.916 2.894 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.619 -2.880 3.622 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.251 -2.258 3.787 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.152 -2.781 3.093 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.084 -1.150 4.627 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.112 -2.197 3.241 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.180 -0.566 4.775 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.278 -1.090 4.082 1.00 0.00 C ATOM 0 H PHE A 88 -1.588 -5.489 3.132 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.685 -3.989 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.816 -3.066 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.385 -2.188 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.280 -3.635 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.931 -0.746 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.959 -2.601 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.308 0.288 5.423 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.253 -0.640 4.196 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.704 -5.463 4.994 1.00 0.00 N ATOM 1350 CA GLU A 89 -5.995 -6.140 4.674 1.00 0.00 C ATOM 1351 C GLU A 89 -7.065 -5.060 4.534 1.00 0.00 C ATOM 1352 O GLU A 89 -7.700 -4.672 5.491 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.372 -7.096 5.808 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.396 -8.113 5.300 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.932 -8.930 6.477 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -8.439 -8.328 7.409 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.826 -10.144 6.426 1.00 0.00 O ATOM 0 H GLU A 89 -4.431 -5.484 5.977 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.907 -6.713 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.484 -7.611 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.785 -6.536 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.215 -7.600 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.935 -8.773 4.565 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.255 -4.546 3.353 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.256 -3.462 3.181 1.00 0.00 C ATOM 1366 C VAL A 90 -9.648 -4.042 2.970 1.00 0.00 C ATOM 1367 O VAL A 90 -9.921 -4.698 1.989 1.00 0.00 O ATOM 1368 CB VAL A 90 -7.867 -2.610 1.977 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.488 -1.222 2.119 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.344 -2.489 1.926 1.00 0.00 C ATOM 0 H VAL A 90 -6.764 -4.828 2.505 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.272 -2.849 4.082 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.229 -3.074 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.212 -0.610 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.573 -1.312 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.123 -0.752 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.056 -1.881 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.986 -2.018 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.903 -3.481 1.832 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.537 -3.778 3.880 1.00 0.00 N ATOM 1381 CA ILE A 91 -11.924 -4.279 3.732 1.00 0.00 C ATOM 1382 C ILE A 91 -12.829 -3.083 3.469 1.00 0.00 C ATOM 1383 O ILE A 91 -12.414 -1.946 3.593 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.371 -4.991 5.007 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.387 -6.115 5.339 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -13.764 -5.581 4.783 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.129 -6.956 4.087 1.00 0.00 C ATOM 0 H ILE A 91 -10.361 -3.234 4.724 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.977 -4.990 2.908 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.398 -4.283 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.451 -5.696 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.790 -6.742 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.093 -6.092 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.464 -4.780 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.730 -6.292 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.428 -7.756 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.068 -7.387 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.707 -6.324 3.305 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.053 -3.308 3.094 1.00 0.00 N ATOM 1400 CA VAL A 92 -14.938 -2.153 2.814 1.00 0.00 C ATOM 1401 C VAL A 92 -16.307 -2.352 3.455 1.00 0.00 C ATOM 1402 O VAL A 92 -16.788 -3.458 3.599 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.087 -2.005 1.305 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.714 -0.648 0.979 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.701 -2.103 0.667 1.00 0.00 C ATOM 0 H VAL A 92 -14.474 -4.229 2.971 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.496 -1.251 3.237 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.732 -2.792 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.819 -0.546 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.696 -0.579 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.074 0.149 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.790 -1.999 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.064 -1.309 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.259 -3.071 0.903 1.00 0.00 H new ATOM 1415 N GLN A 93 -16.937 -1.277 3.840 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.281 -1.388 4.473 1.00 0.00 C ATOM 1417 C GLN A 93 -19.273 -0.496 3.723 1.00 0.00 C ATOM 1418 O GLN A 93 -19.798 -0.943 2.717 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.195 -0.941 5.933 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.589 -0.982 6.561 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.473 -1.341 8.043 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -18.383 -1.467 8.566 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -20.558 -1.512 8.747 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.491 0.618 4.169 1.00 0.00 O ATOM 0 H GLN A 93 -16.579 -0.327 3.744 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.619 -2.423 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.517 -1.592 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -17.787 0.068 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.079 -0.015 6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.210 -1.715 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -21.473 -1.406 8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -20.492 -1.751 9.736 1.00 0.00 H new