USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 24 GLN : amide:sc= -2.09 X(o=-3,f=-2.5) USER MOD Set 1.2: A 26 ASN : amide:sc= -0.905 K(o=-3,f=-4.2!) USER MOD Single : A 3 SER OG : rot -148:sc= -0.968 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.616 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0.216 (180deg=0.202) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= -0.0193 (180deg=-0.148) USER MOD Single : A 13 SER OG : rot 93:sc= 1.09 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.2) USER MOD Single : A 17 SER OG : rot -131:sc= -2.26! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.59 K(o=-3.6,f=-12!) USER MOD Single : A 30 THR OG1 : rot -43:sc= 0.552 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc=-0.00152 (180deg=-0.276) USER MOD Single : A 52 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.024) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -5.23! C(o=-5.2!,f=-4.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.07! C(o=-6.1!,f=-6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 67 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 72 TYR OH : rot 99:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.24 X(o=-2.2,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -3.18 X(o=-3.2,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.166 -2.268 -4.745 1.00 0.00 N ATOM 43 CA SER A 3 5.340 -0.847 -5.022 1.00 0.00 C ATOM 44 C SER A 3 4.825 -0.498 -6.415 1.00 0.00 C ATOM 45 O SER A 3 3.817 0.193 -6.563 1.00 0.00 O ATOM 46 CB SER A 3 6.815 -0.459 -4.899 1.00 0.00 C ATOM 47 OG SER A 3 7.393 -1.016 -3.731 1.00 0.00 O ATOM 0 HA SER A 3 4.761 -0.285 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.360 -0.804 -5.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.908 0.627 -4.872 1.00 0.00 H new ATOM 0 HG SER A 3 8.086 -0.413 -3.390 1.00 0.00 H new ATOM 53 N THR A 4 5.526 -0.981 -7.437 1.00 0.00 N ATOM 54 CA THR A 4 5.143 -0.720 -8.818 1.00 0.00 C ATOM 55 C THR A 4 3.872 -1.477 -9.188 1.00 0.00 C ATOM 56 O THR A 4 3.026 -0.968 -9.923 1.00 0.00 O ATOM 57 CB THR A 4 6.265 -1.114 -9.797 1.00 0.00 C ATOM 58 OG1 THR A 4 5.894 -0.762 -11.135 1.00 0.00 O ATOM 59 CG2 THR A 4 6.551 -2.606 -9.721 1.00 0.00 C ATOM 0 H THR A 4 6.362 -1.555 -7.333 1.00 0.00 H new ATOM 0 HA THR A 4 4.961 0.352 -8.898 1.00 0.00 H new ATOM 0 HB THR A 4 7.168 -0.572 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.668 -0.865 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.347 -2.860 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.862 -2.866 -8.709 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.650 -3.163 -9.978 1.00 0.00 H new ATOM 67 N PHE A 5 3.745 -2.696 -8.675 1.00 0.00 N ATOM 68 CA PHE A 5 2.577 -3.524 -8.952 1.00 0.00 C ATOM 69 C PHE A 5 1.288 -2.748 -8.700 1.00 0.00 C ATOM 70 O PHE A 5 0.300 -2.916 -9.415 1.00 0.00 O ATOM 71 CB PHE A 5 2.603 -4.786 -8.086 1.00 0.00 C ATOM 72 CG PHE A 5 2.162 -6.023 -8.816 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.209 -5.949 -9.818 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.701 -7.259 -8.499 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.801 -7.085 -10.492 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.298 -8.398 -9.170 1.00 0.00 C ATOM 77 CZ PHE A 5 1.346 -8.311 -10.166 1.00 0.00 C ATOM 0 H PHE A 5 4.436 -3.133 -8.065 1.00 0.00 H new ATOM 0 HA PHE A 5 2.608 -3.812 -10.003 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.614 -4.937 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.959 -4.636 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.779 -4.992 -10.076 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.444 -7.333 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.057 -7.014 -11.272 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.728 -9.356 -8.915 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.028 -9.201 -10.689 1.00 0.00 H new ATOM 87 N ASP A 6 1.305 -1.898 -7.679 1.00 0.00 N ATOM 88 CA ASP A 6 0.139 -1.095 -7.332 1.00 0.00 C ATOM 89 C ASP A 6 -0.296 -0.231 -8.512 1.00 0.00 C ATOM 90 O ASP A 6 -1.357 -0.449 -9.096 1.00 0.00 O ATOM 91 CB ASP A 6 0.443 -0.212 -6.122 1.00 0.00 C ATOM 92 CG ASP A 6 -0.375 -0.596 -4.904 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.587 -0.851 -5.061 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.196 -0.640 -3.795 1.00 0.00 O ATOM 0 H ASP A 6 2.114 -1.747 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.677 -1.773 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.504 -0.284 -5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.244 0.829 -6.376 1.00 0.00 H new ATOM 99 N ASP A 7 0.530 0.751 -8.855 1.00 0.00 N ATOM 100 CA ASP A 7 0.231 1.649 -9.965 1.00 0.00 C ATOM 101 C ASP A 7 0.116 0.875 -11.274 1.00 0.00 C ATOM 102 O ASP A 7 -0.550 1.317 -12.211 1.00 0.00 O ATOM 103 CB ASP A 7 1.314 2.722 -10.086 1.00 0.00 C ATOM 104 CG ASP A 7 1.241 3.747 -8.972 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.789 3.388 -7.864 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.638 4.907 -9.206 1.00 0.00 O ATOM 0 H ASP A 7 1.412 0.946 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.726 2.130 -9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.295 2.247 -10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.215 3.227 -11.047 1.00 0.00 H new ATOM 111 N ILE A 8 0.768 -0.281 -11.332 1.00 0.00 N ATOM 112 CA ILE A 8 0.738 -1.116 -12.526 1.00 0.00 C ATOM 113 C ILE A 8 -0.611 -1.812 -12.676 1.00 0.00 C ATOM 114 O ILE A 8 -1.140 -1.932 -13.781 1.00 0.00 O ATOM 115 CB ILE A 8 1.851 -2.180 -12.497 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.188 -1.562 -12.912 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.495 -3.345 -13.409 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.353 -2.523 -12.822 1.00 0.00 C ATOM 0 H ILE A 8 1.324 -0.661 -10.566 1.00 0.00 H new ATOM 0 HA ILE A 8 0.900 -0.455 -13.377 1.00 0.00 H new ATOM 0 HB ILE A 8 1.946 -2.557 -11.479 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.108 -1.196 -13.936 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.391 -0.698 -12.280 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.292 -4.088 -13.377 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.562 -3.798 -13.073 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.376 -2.984 -14.431 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.267 -2.016 -13.131 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.460 -2.870 -11.794 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.172 -3.376 -13.476 1.00 0.00 H new ATOM 130 N LYS A 9 -1.163 -2.269 -11.557 1.00 0.00 N ATOM 131 CA LYS A 9 -2.452 -2.950 -11.562 1.00 0.00 C ATOM 132 C LYS A 9 -3.585 -1.969 -11.845 1.00 0.00 C ATOM 133 O LYS A 9 -4.655 -2.359 -12.314 1.00 0.00 O ATOM 134 CB LYS A 9 -2.689 -3.646 -10.220 1.00 0.00 C ATOM 135 CG LYS A 9 -3.438 -2.789 -9.215 1.00 0.00 C ATOM 136 CD LYS A 9 -3.066 -3.151 -7.787 1.00 0.00 C ATOM 137 CE LYS A 9 -4.285 -3.582 -6.985 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.413 -5.064 -6.922 1.00 0.00 N ATOM 0 H LYS A 9 -0.737 -2.180 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.437 -3.698 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.250 -4.565 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.728 -3.934 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.215 -1.737 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.511 -2.916 -9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.331 -3.956 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.596 -2.294 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.215 -3.180 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.183 -3.159 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.316 -5.316 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.386 -5.456 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.627 -5.457 -6.366 1.00 0.00 H new ATOM 152 N LYS A 10 -3.343 -0.694 -11.560 1.00 0.00 N ATOM 153 CA LYS A 10 -4.341 0.344 -11.786 1.00 0.00 C ATOM 154 C LYS A 10 -4.390 0.741 -13.258 1.00 0.00 C ATOM 155 O LYS A 10 -5.467 0.871 -13.840 1.00 0.00 O ATOM 156 CB LYS A 10 -4.034 1.572 -10.926 1.00 0.00 C ATOM 157 CG LYS A 10 -4.188 2.888 -11.668 1.00 0.00 C ATOM 158 CD LYS A 10 -3.920 4.076 -10.758 1.00 0.00 C ATOM 159 CE LYS A 10 -5.099 4.349 -9.837 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.705 4.297 -8.402 1.00 0.00 N ATOM 0 H LYS A 10 -2.463 -0.355 -11.172 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.315 -0.056 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.696 1.573 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.015 1.495 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.500 2.913 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.196 2.961 -12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.028 3.885 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.717 4.960 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.517 5.330 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.884 3.616 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.310 4.940 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.818 3.326 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.711 4.588 -8.304 1.00 0.00 H new ATOM 174 N ILE A 11 -3.218 0.929 -13.854 1.00 0.00 N ATOM 175 CA ILE A 11 -3.128 1.308 -15.259 1.00 0.00 C ATOM 176 C ILE A 11 -3.666 0.203 -16.162 1.00 0.00 C ATOM 177 O ILE A 11 -4.343 0.474 -17.154 1.00 0.00 O ATOM 178 CB ILE A 11 -1.677 1.626 -15.665 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.753 0.465 -15.289 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.212 2.915 -15.004 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.706 0.734 -15.585 1.00 0.00 C ATOM 0 H ILE A 11 -2.317 0.825 -13.386 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.736 2.204 -15.383 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.639 1.761 -16.746 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.866 0.251 -14.226 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.066 -0.428 -15.830 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.185 3.126 -15.301 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.856 3.737 -15.316 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.262 2.807 -13.921 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.302 -0.131 -15.293 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.833 0.919 -16.652 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.036 1.608 -15.023 1.00 0.00 H new ATOM 193 N ILE A 12 -3.361 -1.041 -15.810 1.00 0.00 N ATOM 194 CA ILE A 12 -3.817 -2.187 -16.587 1.00 0.00 C ATOM 195 C ILE A 12 -5.293 -2.474 -16.330 1.00 0.00 C ATOM 196 O ILE A 12 -6.005 -2.953 -17.213 1.00 0.00 O ATOM 197 CB ILE A 12 -2.996 -3.450 -16.263 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.287 -3.921 -14.836 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.511 -3.177 -16.444 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.524 -5.166 -14.444 1.00 0.00 C ATOM 0 H ILE A 12 -2.800 -1.281 -14.992 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.677 -1.932 -17.637 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.286 -4.242 -16.953 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.040 -3.119 -14.140 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.355 -4.113 -14.736 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.944 -4.079 -16.211 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.318 -2.883 -17.476 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.205 -2.373 -15.775 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.779 -5.442 -13.421 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.789 -5.982 -15.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.453 -4.973 -14.511 1.00 0.00 H new ATOM 212 N SER A 13 -5.745 -2.176 -15.117 1.00 0.00 N ATOM 213 CA SER A 13 -7.136 -2.403 -14.743 1.00 0.00 C ATOM 214 C SER A 13 -8.072 -1.539 -15.582 1.00 0.00 C ATOM 215 O SER A 13 -9.143 -1.984 -15.996 1.00 0.00 O ATOM 216 CB SER A 13 -7.342 -2.103 -13.257 1.00 0.00 C ATOM 217 OG SER A 13 -7.137 -3.263 -12.469 1.00 0.00 O ATOM 0 H SER A 13 -5.169 -1.777 -14.376 1.00 0.00 H new ATOM 0 HA SER A 13 -7.371 -3.451 -14.931 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.653 -1.319 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.351 -1.724 -13.096 1.00 0.00 H new ATOM 0 HG SER A 13 -6.206 -3.291 -12.163 1.00 0.00 H new ATOM 223 N LYS A 14 -7.661 -0.301 -15.830 1.00 0.00 N ATOM 224 CA LYS A 14 -8.460 0.628 -16.621 1.00 0.00 C ATOM 225 C LYS A 14 -8.112 0.519 -18.102 1.00 0.00 C ATOM 226 O LYS A 14 -8.925 0.850 -18.965 1.00 0.00 O ATOM 227 CB LYS A 14 -8.239 2.063 -16.138 1.00 0.00 C ATOM 228 CG LYS A 14 -6.814 2.555 -16.324 1.00 0.00 C ATOM 229 CD LYS A 14 -6.640 3.271 -17.652 1.00 0.00 C ATOM 230 CE LYS A 14 -6.463 4.769 -17.458 1.00 0.00 C ATOM 231 NZ LYS A 14 -5.032 5.141 -17.283 1.00 0.00 N ATOM 0 H LYS A 14 -6.778 0.083 -15.494 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.510 0.366 -16.492 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.917 2.727 -16.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.501 2.126 -15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.552 3.230 -15.509 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.127 1.710 -16.272 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.773 2.866 -18.174 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.509 3.085 -18.284 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.873 5.297 -18.319 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.031 5.092 -16.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.954 6.170 -17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.647 4.657 -16.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.494 4.856 -18.126 1.00 0.00 H new ATOM 245 N GLN A 15 -6.901 0.054 -18.389 1.00 0.00 N ATOM 246 CA GLN A 15 -6.447 -0.099 -19.766 1.00 0.00 C ATOM 247 C GLN A 15 -7.209 -1.217 -20.470 1.00 0.00 C ATOM 248 O GLN A 15 -7.902 -0.982 -21.461 1.00 0.00 O ATOM 249 CB GLN A 15 -4.946 -0.388 -19.802 1.00 0.00 C ATOM 250 CG GLN A 15 -4.424 -0.726 -21.189 1.00 0.00 C ATOM 251 CD GLN A 15 -5.003 0.170 -22.265 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.048 1.392 -22.114 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.450 -0.432 -23.361 1.00 0.00 N ATOM 0 H GLN A 15 -6.216 -0.224 -17.686 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.642 0.836 -20.291 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.408 0.481 -19.422 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.728 -1.217 -19.129 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.337 -0.639 -21.195 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.662 -1.764 -21.419 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.393 -1.447 -23.445 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.850 0.121 -24.119 1.00 0.00 H new ATOM 262 N LEU A 16 -7.077 -2.433 -19.952 1.00 0.00 N ATOM 263 CA LEU A 16 -7.753 -3.589 -20.531 1.00 0.00 C ATOM 264 C LEU A 16 -8.934 -4.018 -19.667 1.00 0.00 C ATOM 265 O LEU A 16 -10.090 -3.881 -20.067 1.00 0.00 O ATOM 266 CB LEU A 16 -6.772 -4.752 -20.688 1.00 0.00 C ATOM 267 CG LEU A 16 -5.395 -4.398 -21.251 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.424 -4.077 -20.125 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.862 -5.536 -22.109 1.00 0.00 C ATOM 0 H LEU A 16 -6.508 -2.644 -19.132 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.130 -3.304 -21.513 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.634 -5.219 -19.713 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.227 -5.499 -21.338 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.497 -3.513 -21.879 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.450 -3.828 -20.545 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.800 -3.230 -19.551 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.326 -4.943 -19.471 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.881 -5.267 -22.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.776 -6.438 -21.504 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.547 -5.719 -22.937 1.00 0.00 H new ATOM 281 N SER A 17 -8.636 -4.535 -18.480 1.00 0.00 N ATOM 282 CA SER A 17 -9.673 -4.985 -17.559 1.00 0.00 C ATOM 283 C SER A 17 -9.060 -5.524 -16.270 1.00 0.00 C ATOM 284 O SER A 17 -9.095 -4.866 -15.230 1.00 0.00 O ATOM 285 CB SER A 17 -10.535 -6.065 -18.217 1.00 0.00 C ATOM 286 OG SER A 17 -11.318 -6.749 -17.255 1.00 0.00 O ATOM 0 H SER A 17 -7.684 -4.653 -18.133 1.00 0.00 H new ATOM 0 HA SER A 17 -10.300 -4.129 -17.312 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.186 -5.610 -18.964 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.896 -6.775 -18.742 1.00 0.00 H new ATOM 0 HG SER A 17 -11.223 -7.716 -17.384 1.00 0.00 H new ATOM 292 N VAL A 18 -8.497 -6.726 -16.347 1.00 0.00 N ATOM 293 CA VAL A 18 -7.874 -7.354 -15.188 1.00 0.00 C ATOM 294 C VAL A 18 -6.957 -8.497 -15.609 1.00 0.00 C ATOM 295 O VAL A 18 -7.399 -9.635 -15.762 1.00 0.00 O ATOM 296 CB VAL A 18 -8.932 -7.893 -14.206 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.317 -6.824 -13.196 1.00 0.00 C ATOM 298 CG2 VAL A 18 -10.155 -8.390 -14.962 1.00 0.00 C ATOM 0 H VAL A 18 -8.460 -7.284 -17.200 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.285 -6.585 -14.689 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.503 -8.734 -13.662 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.065 -7.223 -12.511 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.434 -6.521 -12.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.728 -5.960 -13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.892 -8.767 -14.253 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.588 -7.569 -15.534 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.862 -9.190 -15.642 1.00 0.00 H new ATOM 308 N GLU A 19 -5.678 -8.185 -15.793 1.00 0.00 N ATOM 309 CA GLU A 19 -4.699 -9.187 -16.197 1.00 0.00 C ATOM 310 C GLU A 19 -3.558 -9.271 -15.187 1.00 0.00 C ATOM 311 O GLU A 19 -2.431 -9.621 -15.536 1.00 0.00 O ATOM 312 CB GLU A 19 -4.143 -8.859 -17.584 1.00 0.00 C ATOM 313 CG GLU A 19 -5.218 -8.668 -18.641 1.00 0.00 C ATOM 314 CD GLU A 19 -4.685 -8.830 -20.051 1.00 0.00 C ATOM 315 OE1 GLU A 19 -3.574 -8.331 -20.327 1.00 0.00 O ATOM 316 OE2 GLU A 19 -5.380 -9.456 -20.879 1.00 0.00 O ATOM 0 H GLU A 19 -5.296 -7.247 -15.669 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.201 -10.154 -16.234 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.543 -7.951 -17.520 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.475 -9.661 -17.898 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.018 -9.389 -18.474 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.655 -7.675 -18.534 1.00 0.00 H new ATOM 323 N GLU A 20 -3.860 -8.946 -13.933 1.00 0.00 N ATOM 324 CA GLU A 20 -2.860 -8.983 -12.873 1.00 0.00 C ATOM 325 C GLU A 20 -2.400 -10.414 -12.609 1.00 0.00 C ATOM 326 O GLU A 20 -1.392 -10.640 -11.939 1.00 0.00 O ATOM 327 CB GLU A 20 -3.424 -8.372 -11.588 1.00 0.00 C ATOM 328 CG GLU A 20 -4.055 -7.005 -11.790 1.00 0.00 C ATOM 329 CD GLU A 20 -4.825 -6.533 -10.572 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.454 -6.924 -9.446 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.799 -5.771 -10.747 1.00 0.00 O ATOM 0 H GLU A 20 -4.788 -8.655 -13.627 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.000 -8.397 -13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.170 -9.049 -11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.623 -8.288 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.276 -6.280 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.726 -7.042 -12.648 1.00 0.00 H new ATOM 338 N ASP A 21 -3.145 -11.376 -13.141 1.00 0.00 N ATOM 339 CA ASP A 21 -2.814 -12.786 -12.965 1.00 0.00 C ATOM 340 C ASP A 21 -2.270 -13.382 -14.259 1.00 0.00 C ATOM 341 O ASP A 21 -2.083 -14.594 -14.367 1.00 0.00 O ATOM 342 CB ASP A 21 -4.046 -13.567 -12.507 1.00 0.00 C ATOM 343 CG ASP A 21 -4.132 -13.681 -10.998 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.082 -13.901 -10.359 1.00 0.00 O ATOM 345 OD2 ASP A 21 -5.249 -13.549 -10.455 1.00 0.00 O ATOM 0 H ASP A 21 -3.982 -11.206 -13.698 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.041 -12.860 -12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.944 -13.076 -12.883 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.022 -14.566 -12.943 1.00 0.00 H new ATOM 350 N LYS A 22 -2.018 -12.523 -15.241 1.00 0.00 N ATOM 351 CA LYS A 22 -1.496 -12.963 -16.529 1.00 0.00 C ATOM 352 C LYS A 22 -0.570 -11.910 -17.129 1.00 0.00 C ATOM 353 O LYS A 22 -0.177 -12.006 -18.292 1.00 0.00 O ATOM 354 CB LYS A 22 -2.645 -13.258 -17.495 1.00 0.00 C ATOM 355 CG LYS A 22 -3.851 -12.355 -17.299 1.00 0.00 C ATOM 356 CD LYS A 22 -4.458 -11.940 -18.629 1.00 0.00 C ATOM 357 CE LYS A 22 -4.984 -13.140 -19.401 1.00 0.00 C ATOM 358 NZ LYS A 22 -6.306 -12.862 -20.027 1.00 0.00 N ATOM 0 H LYS A 22 -2.167 -11.517 -15.169 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.923 -13.876 -16.368 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.285 -13.152 -18.518 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.955 -14.296 -17.372 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.601 -12.873 -16.701 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.555 -11.467 -16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.270 -11.234 -18.455 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.708 -11.422 -19.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.267 -13.417 -20.174 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.073 -13.993 -18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.630 -13.705 -20.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.997 -12.623 -19.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.216 -12.064 -20.688 1.00 0.00 H new ATOM 372 N ILE A 23 -0.226 -10.906 -16.330 1.00 0.00 N ATOM 373 CA ILE A 23 0.656 -9.837 -16.782 1.00 0.00 C ATOM 374 C ILE A 23 1.941 -9.800 -15.963 1.00 0.00 C ATOM 375 O ILE A 23 2.921 -9.168 -16.357 1.00 0.00 O ATOM 376 CB ILE A 23 -0.035 -8.463 -16.695 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.693 -7.445 -17.575 1.00 0.00 C ATOM 378 CG2 ILE A 23 -0.083 -7.985 -15.252 1.00 0.00 C ATOM 379 CD1 ILE A 23 0.198 -6.027 -17.395 1.00 0.00 C ATOM 0 H ILE A 23 -0.545 -10.810 -15.366 1.00 0.00 H new ATOM 0 HA ILE A 23 0.899 -10.048 -17.824 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.058 -8.563 -17.058 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.759 -7.480 -17.351 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.577 -7.732 -18.620 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.574 -7.013 -15.207 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.641 -8.702 -14.650 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.932 -7.897 -14.864 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.759 -5.360 -18.050 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.861 -5.977 -17.647 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.339 -5.721 -16.358 1.00 0.00 H new ATOM 391 N GLN A 24 1.929 -10.482 -14.822 1.00 0.00 N ATOM 392 CA GLN A 24 3.095 -10.528 -13.948 1.00 0.00 C ATOM 393 C GLN A 24 3.769 -11.894 -14.011 1.00 0.00 C ATOM 394 O GLN A 24 3.329 -12.845 -13.364 1.00 0.00 O ATOM 395 CB GLN A 24 2.691 -10.212 -12.507 1.00 0.00 C ATOM 396 CG GLN A 24 3.697 -10.692 -11.473 1.00 0.00 C ATOM 397 CD GLN A 24 3.257 -11.966 -10.779 1.00 0.00 C ATOM 398 OE1 GLN A 24 4.041 -12.903 -10.622 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.999 -12.007 -10.358 1.00 0.00 N ATOM 0 H GLN A 24 1.125 -11.010 -14.482 1.00 0.00 H new ATOM 0 HA GLN A 24 3.805 -9.776 -14.292 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.562 -9.135 -12.403 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.724 -10.671 -12.301 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.659 -10.860 -11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.848 -9.911 -10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.384 -11.207 -10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.647 -12.838 -9.883 1.00 0.00 H new ATOM 408 N MET A 25 4.839 -11.985 -14.794 1.00 0.00 N ATOM 409 CA MET A 25 5.575 -13.236 -14.940 1.00 0.00 C ATOM 410 C MET A 25 7.033 -13.060 -14.530 1.00 0.00 C ATOM 411 O MET A 25 7.822 -14.002 -14.589 1.00 0.00 O ATOM 412 CB MET A 25 5.496 -13.733 -16.385 1.00 0.00 C ATOM 413 CG MET A 25 4.074 -13.870 -16.904 1.00 0.00 C ATOM 414 SD MET A 25 3.245 -15.344 -16.278 1.00 0.00 S ATOM 415 CE MET A 25 2.562 -16.017 -17.790 1.00 0.00 C ATOM 0 H MET A 25 5.216 -11.208 -15.337 1.00 0.00 H new ATOM 0 HA MET A 25 5.118 -13.976 -14.283 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.044 -13.044 -17.028 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.995 -14.700 -16.456 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.501 -12.987 -16.620 1.00 0.00 H new ATOM 0 HG3 MET A 25 4.090 -13.902 -17.993 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.018 -16.935 -17.567 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.882 -15.291 -18.237 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.370 -16.235 -18.489 1.00 0.00 H new ATOM 425 N ASN A 26 7.384 -11.848 -14.113 1.00 0.00 N ATOM 426 CA ASN A 26 8.749 -11.549 -13.694 1.00 0.00 C ATOM 427 C ASN A 26 9.719 -11.681 -14.864 1.00 0.00 C ATOM 428 O ASN A 26 10.933 -11.743 -14.673 1.00 0.00 O ATOM 429 CB ASN A 26 9.171 -12.483 -12.558 1.00 0.00 C ATOM 430 CG ASN A 26 8.053 -12.727 -11.564 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.220 -13.613 -11.755 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.030 -11.940 -10.495 1.00 0.00 N ATOM 0 H ASN A 26 6.743 -11.057 -14.056 1.00 0.00 H new ATOM 0 HA ASN A 26 8.776 -10.519 -13.338 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.496 -13.436 -12.976 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.028 -12.054 -12.039 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.301 -12.057 -9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.741 -11.218 -10.378 1.00 0.00 H new ATOM 439 N SER A 27 9.174 -11.723 -16.075 1.00 0.00 N ATOM 440 CA SER A 27 9.991 -11.851 -17.277 1.00 0.00 C ATOM 441 C SER A 27 9.853 -10.616 -18.162 1.00 0.00 C ATOM 442 O SER A 27 10.741 -9.766 -18.202 1.00 0.00 O ATOM 443 CB SER A 27 9.589 -13.102 -18.061 1.00 0.00 C ATOM 444 OG SER A 27 10.573 -14.115 -17.944 1.00 0.00 O ATOM 0 H SER A 27 8.171 -11.670 -16.251 1.00 0.00 H new ATOM 0 HA SER A 27 11.033 -11.942 -16.970 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.633 -13.475 -17.692 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.448 -12.847 -19.111 1.00 0.00 H new ATOM 0 HG SER A 27 10.292 -14.904 -18.452 1.00 0.00 H new ATOM 450 N ASN A 28 8.731 -10.526 -18.870 1.00 0.00 N ATOM 451 CA ASN A 28 8.476 -9.395 -19.755 1.00 0.00 C ATOM 452 C ASN A 28 6.996 -9.025 -19.751 1.00 0.00 C ATOM 453 O ASN A 28 6.136 -9.863 -19.479 1.00 0.00 O ATOM 454 CB ASN A 28 8.926 -9.725 -21.180 1.00 0.00 C ATOM 455 CG ASN A 28 9.675 -11.041 -21.260 1.00 0.00 C ATOM 456 OD1 ASN A 28 9.118 -12.061 -21.668 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.944 -11.025 -20.869 1.00 0.00 N ATOM 0 H ASN A 28 7.985 -11.222 -18.848 1.00 0.00 H new ATOM 0 HA ASN A 28 9.047 -8.542 -19.388 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.054 -9.766 -21.833 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.565 -8.923 -21.551 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.498 -11.881 -20.900 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.365 -10.157 -20.538 1.00 0.00 H new ATOM 464 N PHE A 29 6.706 -7.764 -20.055 1.00 0.00 N ATOM 465 CA PHE A 29 5.330 -7.282 -20.086 1.00 0.00 C ATOM 466 C PHE A 29 4.753 -7.376 -21.495 1.00 0.00 C ATOM 467 O PHE A 29 3.573 -7.677 -21.677 1.00 0.00 O ATOM 468 CB PHE A 29 5.263 -5.836 -19.590 1.00 0.00 C ATOM 469 CG PHE A 29 4.823 -5.712 -18.160 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.643 -6.143 -17.129 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.590 -5.164 -17.845 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.240 -6.031 -15.812 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.182 -5.049 -16.530 1.00 0.00 C ATOM 474 CZ PHE A 29 4.008 -5.483 -15.512 1.00 0.00 C ATOM 0 H PHE A 29 7.405 -7.058 -20.283 1.00 0.00 H new ATOM 0 HA PHE A 29 4.735 -7.913 -19.426 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.245 -5.377 -19.700 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.576 -5.275 -20.223 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.608 -6.571 -17.358 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.940 -4.823 -18.637 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.888 -6.372 -15.018 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.218 -4.620 -16.299 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.691 -5.394 -14.483 1.00 0.00 H new ATOM 484 N THR A 30 5.593 -7.114 -22.491 1.00 0.00 N ATOM 485 CA THR A 30 5.168 -7.167 -23.884 1.00 0.00 C ATOM 486 C THR A 30 5.956 -8.216 -24.661 1.00 0.00 C ATOM 487 O THR A 30 5.808 -8.345 -25.876 1.00 0.00 O ATOM 488 CB THR A 30 5.334 -5.801 -24.575 1.00 0.00 C ATOM 489 OG1 THR A 30 4.692 -5.817 -25.855 1.00 0.00 O ATOM 490 CG2 THR A 30 6.806 -5.457 -24.746 1.00 0.00 C ATOM 0 H THR A 30 6.573 -6.863 -22.359 1.00 0.00 H new ATOM 0 HA THR A 30 4.112 -7.438 -23.881 1.00 0.00 H new ATOM 0 HB THR A 30 4.869 -5.042 -23.946 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.896 -6.659 -26.313 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.899 -4.488 -25.236 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.286 -5.416 -23.768 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.289 -6.220 -25.356 1.00 0.00 H new ATOM 498 N LYS A 31 6.794 -8.964 -23.951 1.00 0.00 N ATOM 499 CA LYS A 31 7.605 -10.004 -24.573 1.00 0.00 C ATOM 500 C LYS A 31 7.293 -11.371 -23.971 1.00 0.00 C ATOM 501 O LYS A 31 7.715 -12.402 -24.495 1.00 0.00 O ATOM 502 CB LYS A 31 9.093 -9.689 -24.404 1.00 0.00 C ATOM 503 CG LYS A 31 9.370 -8.241 -24.039 1.00 0.00 C ATOM 504 CD LYS A 31 10.856 -7.989 -23.845 1.00 0.00 C ATOM 505 CE LYS A 31 11.578 -7.867 -25.178 1.00 0.00 C ATOM 506 NZ LYS A 31 13.011 -7.500 -25.001 1.00 0.00 N ATOM 0 H LYS A 31 6.929 -8.869 -22.944 1.00 0.00 H new ATOM 0 HA LYS A 31 7.364 -10.030 -25.636 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.507 -10.336 -23.630 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.614 -9.927 -25.331 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.989 -7.588 -24.824 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.834 -7.987 -23.124 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.999 -7.076 -23.267 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.292 -8.804 -23.267 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.509 -8.812 -25.716 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.083 -7.114 -25.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.468 -7.427 -25.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.077 -6.586 -24.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.490 -8.231 -24.437 1.00 0.00 H new ATOM 520 N ASP A 32 6.550 -11.371 -22.870 1.00 0.00 N ATOM 521 CA ASP A 32 6.179 -12.611 -22.198 1.00 0.00 C ATOM 522 C ASP A 32 4.716 -12.955 -22.461 1.00 0.00 C ATOM 523 O ASP A 32 4.409 -13.947 -23.124 1.00 0.00 O ATOM 524 CB ASP A 32 6.426 -12.495 -20.693 1.00 0.00 C ATOM 525 CG ASP A 32 6.935 -13.788 -20.088 1.00 0.00 C ATOM 526 OD1 ASP A 32 8.029 -14.240 -20.489 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.242 -14.348 -19.214 1.00 0.00 O ATOM 0 H ASP A 32 6.193 -10.526 -22.424 1.00 0.00 H new ATOM 0 HA ASP A 32 6.800 -13.412 -22.599 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.149 -11.701 -20.507 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.500 -12.205 -20.197 1.00 0.00 H new ATOM 532 N LEU A 33 3.816 -12.129 -21.937 1.00 0.00 N ATOM 533 CA LEU A 33 2.385 -12.346 -22.113 1.00 0.00 C ATOM 534 C LEU A 33 1.956 -12.019 -23.540 1.00 0.00 C ATOM 535 O LEU A 33 1.103 -12.694 -24.114 1.00 0.00 O ATOM 536 CB LEU A 33 1.593 -11.491 -21.122 1.00 0.00 C ATOM 537 CG LEU A 33 2.034 -10.032 -20.993 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.838 -9.100 -21.119 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.751 -9.807 -19.670 1.00 0.00 C ATOM 0 H LEU A 33 4.053 -11.303 -21.387 1.00 0.00 H new ATOM 0 HA LEU A 33 2.177 -13.399 -21.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.543 -11.508 -21.416 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.656 -11.957 -20.139 1.00 0.00 H new ATOM 0 HG LEU A 33 2.729 -9.809 -21.802 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.171 -8.066 -21.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.367 -9.242 -22.092 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.118 -9.323 -20.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.058 -8.764 -19.595 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.079 -10.048 -18.846 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.631 -10.448 -19.619 1.00 0.00 H new ATOM 551 N GLY A 34 2.557 -10.978 -24.109 1.00 0.00 N ATOM 552 CA GLY A 34 2.227 -10.580 -25.465 1.00 0.00 C ATOM 553 C GLY A 34 0.815 -10.040 -25.583 1.00 0.00 C ATOM 554 O GLY A 34 0.080 -10.400 -26.502 1.00 0.00 O ATOM 0 H GLY A 34 3.267 -10.403 -23.655 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.933 -9.819 -25.799 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.342 -11.436 -26.130 1.00 0.00 H new ATOM 558 N ALA A 35 0.435 -9.174 -24.649 1.00 0.00 N ATOM 559 CA ALA A 35 -0.898 -8.584 -24.653 1.00 0.00 C ATOM 560 C ALA A 35 -1.121 -7.740 -25.903 1.00 0.00 C ATOM 561 O ALA A 35 -1.814 -8.159 -26.831 1.00 0.00 O ATOM 562 CB ALA A 35 -1.105 -7.742 -23.402 1.00 0.00 C ATOM 0 H ALA A 35 1.031 -8.866 -23.881 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.627 -9.394 -24.659 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.104 -7.307 -23.417 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.996 -8.371 -22.518 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.363 -6.944 -23.373 1.00 0.00 H new ATOM 568 N ASP A 36 -0.530 -6.550 -25.922 1.00 0.00 N ATOM 569 CA ASP A 36 -0.665 -5.648 -27.059 1.00 0.00 C ATOM 570 C ASP A 36 0.176 -4.391 -26.858 1.00 0.00 C ATOM 571 O ASP A 36 0.137 -3.727 -25.824 1.00 0.00 O ATOM 572 CB ASP A 36 -2.132 -5.267 -27.265 1.00 0.00 C ATOM 573 CG ASP A 36 -2.658 -5.701 -28.619 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.982 -6.897 -28.774 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.747 -4.844 -29.523 1.00 0.00 O ATOM 0 H ASP A 36 0.047 -6.188 -25.163 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.305 -6.167 -27.947 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.736 -5.723 -26.481 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.241 -4.187 -27.165 1.00 0.00 H new ATOM 580 N SER A 37 0.975 -4.041 -27.882 1.00 0.00 N ATOM 581 CA SER A 37 1.885 -2.874 -27.920 1.00 0.00 C ATOM 582 C SER A 37 1.179 -1.558 -27.555 1.00 0.00 C ATOM 583 O SER A 37 1.739 -0.684 -26.891 1.00 0.00 O ATOM 584 CB SER A 37 2.492 -2.824 -29.331 1.00 0.00 C ATOM 585 OG SER A 37 1.492 -2.539 -30.311 1.00 0.00 O ATOM 0 H SER A 37 1.008 -4.585 -28.744 1.00 0.00 H new ATOM 0 HA SER A 37 2.665 -2.989 -27.167 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.270 -2.062 -29.369 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.968 -3.777 -29.559 1.00 0.00 H new ATOM 0 HG SER A 37 1.904 -2.511 -31.200 1.00 0.00 H new ATOM 590 N LEU A 38 -0.064 -1.436 -28.008 1.00 0.00 N ATOM 591 CA LEU A 38 -0.861 -0.242 -27.744 1.00 0.00 C ATOM 592 C LEU A 38 -1.282 -0.182 -26.280 1.00 0.00 C ATOM 593 O LEU A 38 -1.179 0.863 -25.636 1.00 0.00 O ATOM 594 CB LEU A 38 -2.097 -0.222 -28.644 1.00 0.00 C ATOM 595 CG LEU A 38 -1.876 -0.635 -30.100 1.00 0.00 C ATOM 596 CD1 LEU A 38 -2.243 -2.096 -30.302 1.00 0.00 C ATOM 597 CD2 LEU A 38 -2.682 0.254 -31.035 1.00 0.00 C ATOM 0 H LEU A 38 -0.542 -2.149 -28.560 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.247 0.632 -27.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.848 -0.882 -28.210 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.513 0.785 -28.633 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.819 -0.512 -30.336 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.079 -2.372 -31.344 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.621 -2.720 -29.660 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.292 -2.246 -30.048 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.512 -0.055 -32.067 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.742 0.164 -30.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.370 1.291 -30.910 1.00 0.00 H new ATOM 609 N ASP A 39 -1.756 -1.308 -25.759 1.00 0.00 N ATOM 610 CA ASP A 39 -2.190 -1.385 -24.368 1.00 0.00 C ATOM 611 C ASP A 39 -1.002 -1.255 -23.420 1.00 0.00 C ATOM 612 O ASP A 39 -0.993 -0.402 -22.532 1.00 0.00 O ATOM 613 CB ASP A 39 -2.921 -2.703 -24.112 1.00 0.00 C ATOM 614 CG ASP A 39 -4.034 -2.952 -25.111 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.656 -1.968 -25.563 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.283 -4.131 -25.441 1.00 0.00 O ATOM 0 H ASP A 39 -1.850 -2.181 -26.279 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.874 -0.557 -24.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.207 -3.525 -24.156 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.336 -2.695 -23.104 1.00 0.00 H new ATOM 621 N LEU A 40 -0.001 -2.106 -23.614 1.00 0.00 N ATOM 622 CA LEU A 40 1.193 -2.088 -22.776 1.00 0.00 C ATOM 623 C LEU A 40 1.780 -0.682 -22.695 1.00 0.00 C ATOM 624 O LEU A 40 2.070 -0.181 -21.608 1.00 0.00 O ATOM 625 CB LEU A 40 2.240 -3.059 -23.323 1.00 0.00 C ATOM 626 CG LEU A 40 2.236 -4.463 -22.717 1.00 0.00 C ATOM 627 CD1 LEU A 40 2.409 -4.392 -21.207 1.00 0.00 C ATOM 628 CD2 LEU A 40 0.951 -5.194 -23.075 1.00 0.00 C ATOM 0 H LEU A 40 0.008 -2.818 -24.345 1.00 0.00 H new ATOM 0 HA LEU A 40 0.906 -2.401 -21.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.095 -3.149 -24.400 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.227 -2.622 -23.170 1.00 0.00 H new ATOM 0 HG LEU A 40 3.075 -5.021 -23.133 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.404 -5.400 -20.792 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.357 -3.908 -20.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.590 -3.817 -20.774 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.965 -6.191 -22.636 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.097 -4.639 -22.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.869 -5.276 -24.159 1.00 0.00 H new ATOM 640 N VAL A 41 1.950 -0.050 -23.851 1.00 0.00 N ATOM 641 CA VAL A 41 2.498 1.300 -23.912 1.00 0.00 C ATOM 642 C VAL A 41 1.515 2.318 -23.346 1.00 0.00 C ATOM 643 O VAL A 41 1.912 3.389 -22.886 1.00 0.00 O ATOM 644 CB VAL A 41 2.857 1.696 -25.356 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.258 3.162 -25.424 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.968 0.806 -25.892 1.00 0.00 C ATOM 0 H VAL A 41 1.716 -0.451 -24.759 1.00 0.00 H new ATOM 0 HA VAL A 41 3.405 1.301 -23.308 1.00 0.00 H new ATOM 0 HB VAL A 41 1.976 1.556 -25.982 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.508 3.423 -26.452 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.429 3.782 -25.083 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.125 3.332 -24.785 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.209 1.100 -26.914 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.854 0.912 -25.265 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.639 -0.233 -25.882 1.00 0.00 H new ATOM 656 N GLU A 42 0.231 1.977 -23.383 1.00 0.00 N ATOM 657 CA GLU A 42 -0.809 2.863 -22.874 1.00 0.00 C ATOM 658 C GLU A 42 -0.803 2.888 -21.348 1.00 0.00 C ATOM 659 O GLU A 42 -0.570 3.930 -20.734 1.00 0.00 O ATOM 660 CB GLU A 42 -2.182 2.420 -23.382 1.00 0.00 C ATOM 661 CG GLU A 42 -2.639 3.162 -24.627 1.00 0.00 C ATOM 662 CD GLU A 42 -3.480 4.381 -24.302 1.00 0.00 C ATOM 663 OE1 GLU A 42 -4.419 4.256 -23.488 1.00 0.00 O ATOM 664 OE2 GLU A 42 -3.200 5.461 -24.864 1.00 0.00 O ATOM 0 H GLU A 42 -0.114 1.094 -23.760 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.603 3.870 -23.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.153 1.352 -23.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.917 2.567 -22.591 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.766 3.470 -25.203 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.215 2.485 -25.258 1.00 0.00 H new ATOM 671 N LEU A 43 -1.061 1.735 -20.742 1.00 0.00 N ATOM 672 CA LEU A 43 -1.087 1.623 -19.288 1.00 0.00 C ATOM 673 C LEU A 43 0.184 2.202 -18.675 1.00 0.00 C ATOM 674 O LEU A 43 0.136 2.890 -17.655 1.00 0.00 O ATOM 675 CB LEU A 43 -1.246 0.159 -18.872 1.00 0.00 C ATOM 676 CG LEU A 43 -0.149 -0.796 -19.343 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.845 -1.060 -18.222 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.754 -2.101 -19.839 1.00 0.00 C ATOM 0 H LEU A 43 -1.255 0.864 -21.235 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.939 2.194 -18.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.296 0.115 -17.784 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.202 -0.203 -19.250 1.00 0.00 H new ATOM 0 HG LEU A 43 0.383 -0.328 -20.171 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.619 -1.742 -18.575 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.303 -0.120 -17.913 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.327 -1.507 -17.374 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.042 -2.768 -20.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.311 -2.574 -19.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.426 -1.897 -20.672 1.00 0.00 H new ATOM 690 N ILE A 44 1.320 1.920 -19.305 1.00 0.00 N ATOM 691 CA ILE A 44 2.603 2.416 -18.823 1.00 0.00 C ATOM 692 C ILE A 44 2.647 3.940 -18.846 1.00 0.00 C ATOM 693 O ILE A 44 3.033 4.575 -17.865 1.00 0.00 O ATOM 694 CB ILE A 44 3.771 1.867 -19.665 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.912 0.358 -19.457 1.00 0.00 C ATOM 696 CG2 ILE A 44 5.065 2.581 -19.304 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.765 -0.319 -20.507 1.00 0.00 C ATOM 0 H ILE A 44 1.378 1.351 -20.150 1.00 0.00 H new ATOM 0 HA ILE A 44 2.711 2.067 -17.796 1.00 0.00 H new ATOM 0 HB ILE A 44 3.559 2.051 -20.718 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.345 0.174 -18.474 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.921 -0.095 -19.458 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.881 2.182 -19.907 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.958 3.648 -19.498 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.284 2.425 -18.248 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.821 -1.387 -20.297 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.321 -0.166 -21.491 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.768 0.107 -20.491 1.00 0.00 H new ATOM 709 N MET A 45 2.248 4.521 -19.972 1.00 0.00 N ATOM 710 CA MET A 45 2.238 5.972 -20.122 1.00 0.00 C ATOM 711 C MET A 45 1.508 6.634 -18.958 1.00 0.00 C ATOM 712 O MET A 45 1.870 7.729 -18.528 1.00 0.00 O ATOM 713 CB MET A 45 1.577 6.366 -21.444 1.00 0.00 C ATOM 714 CG MET A 45 0.163 6.899 -21.281 1.00 0.00 C ATOM 715 SD MET A 45 -0.666 7.163 -22.861 1.00 0.00 S ATOM 716 CE MET A 45 -1.486 8.726 -22.555 1.00 0.00 C ATOM 0 H MET A 45 1.927 4.010 -20.794 1.00 0.00 H new ATOM 0 HA MET A 45 3.271 6.318 -20.124 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.188 7.124 -21.935 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.556 5.498 -22.103 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.419 6.198 -20.683 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.194 7.839 -20.730 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.043 9.025 -23.443 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.172 8.618 -21.715 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.742 9.487 -22.320 1.00 0.00 H new ATOM 726 N ALA A 46 0.479 5.962 -18.452 1.00 0.00 N ATOM 727 CA ALA A 46 -0.301 6.485 -17.337 1.00 0.00 C ATOM 728 C ALA A 46 0.477 6.387 -16.029 1.00 0.00 C ATOM 729 O ALA A 46 0.477 7.318 -15.223 1.00 0.00 O ATOM 730 CB ALA A 46 -1.624 5.742 -17.223 1.00 0.00 C ATOM 0 H ALA A 46 0.166 5.054 -18.797 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.504 7.538 -17.531 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.196 6.143 -16.386 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.193 5.868 -18.144 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.433 4.682 -17.057 1.00 0.00 H new ATOM 736 N LEU A 47 1.140 5.254 -15.825 1.00 0.00 N ATOM 737 CA LEU A 47 1.923 5.033 -14.613 1.00 0.00 C ATOM 738 C LEU A 47 2.904 6.178 -14.383 1.00 0.00 C ATOM 739 O LEU A 47 2.997 6.715 -13.280 1.00 0.00 O ATOM 740 CB LEU A 47 2.681 3.708 -14.707 1.00 0.00 C ATOM 741 CG LEU A 47 2.718 2.865 -13.431 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.406 1.534 -13.691 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.421 3.621 -12.313 1.00 0.00 C ATOM 0 H LEU A 47 1.151 4.474 -16.482 1.00 0.00 H new ATOM 0 HA LEU A 47 1.236 4.992 -13.768 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.232 3.111 -15.501 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.707 3.920 -15.009 1.00 0.00 H new ATOM 0 HG LEU A 47 1.693 2.666 -13.120 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.423 0.948 -12.772 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.861 0.987 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.428 1.712 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.438 3.006 -11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.443 3.850 -12.615 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.886 4.549 -12.109 1.00 0.00 H new ATOM 755 N GLU A 48 3.632 6.547 -15.433 1.00 0.00 N ATOM 756 CA GLU A 48 4.605 7.629 -15.344 1.00 0.00 C ATOM 757 C GLU A 48 3.909 8.970 -15.125 1.00 0.00 C ATOM 758 O GLU A 48 4.329 9.768 -14.288 1.00 0.00 O ATOM 759 CB GLU A 48 5.455 7.686 -16.615 1.00 0.00 C ATOM 760 CG GLU A 48 6.044 9.059 -16.894 1.00 0.00 C ATOM 761 CD GLU A 48 5.130 9.924 -17.739 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.463 9.379 -18.643 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.081 11.149 -17.496 1.00 0.00 O ATOM 0 H GLU A 48 3.566 6.113 -16.354 1.00 0.00 H new ATOM 0 HA GLU A 48 5.253 7.431 -14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.266 6.962 -16.532 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.843 7.383 -17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.244 9.563 -15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.001 8.943 -17.402 1.00 0.00 H new ATOM 770 N GLU A 49 2.844 9.208 -15.884 1.00 0.00 N ATOM 771 CA GLU A 49 2.091 10.452 -15.773 1.00 0.00 C ATOM 772 C GLU A 49 1.589 10.659 -14.348 1.00 0.00 C ATOM 773 O GLU A 49 1.311 11.784 -13.932 1.00 0.00 O ATOM 774 CB GLU A 49 0.911 10.448 -16.747 1.00 0.00 C ATOM 775 CG GLU A 49 0.740 11.755 -17.502 1.00 0.00 C ATOM 776 CD GLU A 49 1.602 11.826 -18.747 1.00 0.00 C ATOM 777 OE1 GLU A 49 1.382 11.011 -19.668 1.00 0.00 O ATOM 778 OE2 GLU A 49 2.496 12.696 -18.802 1.00 0.00 O ATOM 0 H GLU A 49 2.484 8.557 -16.581 1.00 0.00 H new ATOM 0 HA GLU A 49 2.759 11.275 -16.027 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.046 9.639 -17.465 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.004 10.235 -16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.307 11.874 -17.782 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.991 12.586 -16.843 1.00 0.00 H new ATOM 785 N LYS A 50 1.473 9.565 -13.603 1.00 0.00 N ATOM 786 CA LYS A 50 1.005 9.623 -12.223 1.00 0.00 C ATOM 787 C LYS A 50 2.173 9.804 -11.259 1.00 0.00 C ATOM 788 O LYS A 50 2.083 10.562 -10.293 1.00 0.00 O ATOM 789 CB LYS A 50 0.231 8.351 -11.871 1.00 0.00 C ATOM 790 CG LYS A 50 -0.175 8.271 -10.410 1.00 0.00 C ATOM 791 CD LYS A 50 -0.886 6.965 -10.099 1.00 0.00 C ATOM 792 CE LYS A 50 -2.218 7.206 -9.405 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.053 7.982 -8.144 1.00 0.00 N ATOM 0 H LYS A 50 1.697 8.626 -13.932 1.00 0.00 H new ATOM 0 HA LYS A 50 0.342 10.482 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.664 8.297 -12.491 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.843 7.483 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.710 8.363 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.828 9.109 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.051 6.411 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.251 6.346 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.886 7.744 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.691 6.249 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.846 7.776 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.159 7.714 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.039 8.999 -8.361 1.00 0.00 H new ATOM 807 N PHE A 51 3.270 9.104 -11.528 1.00 0.00 N ATOM 808 CA PHE A 51 4.457 9.187 -10.685 1.00 0.00 C ATOM 809 C PHE A 51 5.155 10.533 -10.860 1.00 0.00 C ATOM 810 O PHE A 51 6.019 10.903 -10.067 1.00 0.00 O ATOM 811 CB PHE A 51 5.425 8.050 -11.017 1.00 0.00 C ATOM 812 CG PHE A 51 5.302 6.870 -10.096 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.246 7.048 -8.723 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.242 5.582 -10.604 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.133 5.963 -7.874 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.129 4.493 -9.760 1.00 0.00 C ATOM 817 CZ PHE A 51 5.074 4.684 -8.393 1.00 0.00 C ATOM 0 H PHE A 51 3.362 8.472 -12.324 1.00 0.00 H new ATOM 0 HA PHE A 51 4.142 9.094 -9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.249 7.721 -12.041 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.446 8.429 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.291 8.046 -8.312 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.284 5.427 -11.672 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.091 6.115 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.084 3.494 -10.169 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.985 3.835 -7.731 1.00 0.00 H new ATOM 827 N ASN A 52 4.773 11.259 -11.905 1.00 0.00 N ATOM 828 CA ASN A 52 5.362 12.563 -12.186 1.00 0.00 C ATOM 829 C ASN A 52 6.816 12.419 -12.627 1.00 0.00 C ATOM 830 O ASN A 52 7.678 13.202 -12.227 1.00 0.00 O ATOM 831 CB ASN A 52 5.279 13.461 -10.950 1.00 0.00 C ATOM 832 CG ASN A 52 5.351 14.935 -11.300 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.387 15.576 -11.125 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.247 15.479 -11.798 1.00 0.00 N ATOM 0 H ASN A 52 4.058 10.967 -12.571 1.00 0.00 H new ATOM 0 HA ASN A 52 4.798 13.021 -12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.347 13.261 -10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.092 13.212 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.235 16.467 -12.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.411 14.909 -11.926 1.00 0.00 H new ATOM 841 N VAL A 53 7.082 11.413 -13.454 1.00 0.00 N ATOM 842 CA VAL A 53 8.430 11.167 -13.950 1.00 0.00 C ATOM 843 C VAL A 53 8.495 11.324 -15.465 1.00 0.00 C ATOM 844 O VAL A 53 7.479 11.559 -16.121 1.00 0.00 O ATOM 845 CB VAL A 53 8.920 9.757 -13.570 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.686 9.794 -12.257 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.748 8.791 -13.485 1.00 0.00 C ATOM 0 H VAL A 53 6.381 10.755 -13.795 1.00 0.00 H new ATOM 0 HA VAL A 53 9.079 11.907 -13.482 1.00 0.00 H new ATOM 0 HB VAL A 53 9.597 9.404 -14.348 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.024 8.789 -12.005 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.549 10.453 -12.357 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.035 10.167 -11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.112 7.800 -13.216 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.045 9.138 -12.727 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.246 8.743 -14.451 1.00 0.00 H new ATOM 857 N THR A 54 9.697 11.192 -16.018 1.00 0.00 N ATOM 858 CA THR A 54 9.896 11.320 -17.456 1.00 0.00 C ATOM 859 C THR A 54 10.625 10.106 -18.020 1.00 0.00 C ATOM 860 O THR A 54 11.855 10.070 -18.056 1.00 0.00 O ATOM 861 CB THR A 54 10.695 12.591 -17.802 1.00 0.00 C ATOM 862 OG1 THR A 54 10.082 13.734 -17.196 1.00 0.00 O ATOM 863 CG2 THR A 54 10.771 12.789 -19.308 1.00 0.00 C ATOM 0 H THR A 54 10.548 10.996 -15.491 1.00 0.00 H new ATOM 0 HA THR A 54 8.906 11.388 -17.907 1.00 0.00 H new ATOM 0 HB THR A 54 11.707 12.474 -17.416 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.596 14.538 -17.419 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.340 13.692 -19.528 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.264 11.930 -19.763 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.764 12.887 -19.713 1.00 0.00 H new ATOM 871 N ILE A 55 9.859 9.113 -18.460 1.00 0.00 N ATOM 872 CA ILE A 55 10.433 7.898 -19.025 1.00 0.00 C ATOM 873 C ILE A 55 9.719 7.499 -20.312 1.00 0.00 C ATOM 874 O ILE A 55 10.274 7.619 -21.404 1.00 0.00 O ATOM 875 CB ILE A 55 10.362 6.727 -18.027 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.215 7.253 -16.598 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.601 5.851 -18.151 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.783 7.534 -16.202 1.00 0.00 C ATOM 0 H ILE A 55 8.839 9.126 -18.436 1.00 0.00 H new ATOM 0 HA ILE A 55 11.478 8.115 -19.245 1.00 0.00 H new ATOM 0 HB ILE A 55 9.487 6.121 -18.262 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.639 6.525 -15.906 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.798 8.168 -16.494 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.537 5.028 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.665 5.452 -19.163 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.490 6.445 -17.939 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.755 7.904 -15.177 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.361 8.285 -16.870 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.199 6.616 -16.273 1.00 0.00 H new ATOM 890 N SER A 56 8.484 7.027 -20.175 1.00 0.00 N ATOM 891 CA SER A 56 7.694 6.608 -21.327 1.00 0.00 C ATOM 892 C SER A 56 8.370 5.454 -22.059 1.00 0.00 C ATOM 893 O SER A 56 8.104 4.285 -21.779 1.00 0.00 O ATOM 894 CB SER A 56 7.487 7.784 -22.284 1.00 0.00 C ATOM 895 OG SER A 56 6.277 8.465 -22.001 1.00 0.00 O ATOM 0 H SER A 56 8.009 6.925 -19.278 1.00 0.00 H new ATOM 0 HA SER A 56 6.724 6.267 -20.967 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.325 8.476 -22.202 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.472 7.422 -23.312 1.00 0.00 H new ATOM 0 HG SER A 56 6.169 9.213 -22.625 1.00 0.00 H new ATOM 901 N ASP A 57 9.247 5.791 -22.999 1.00 0.00 N ATOM 902 CA ASP A 57 9.964 4.783 -23.772 1.00 0.00 C ATOM 903 C ASP A 57 10.808 3.898 -22.860 1.00 0.00 C ATOM 904 O ASP A 57 10.589 2.689 -22.779 1.00 0.00 O ATOM 905 CB ASP A 57 10.855 5.453 -24.820 1.00 0.00 C ATOM 906 CG ASP A 57 10.087 6.420 -25.699 1.00 0.00 C ATOM 907 OD1 ASP A 57 8.967 6.071 -26.128 1.00 0.00 O ATOM 908 OD2 ASP A 57 10.606 7.526 -25.958 1.00 0.00 O ATOM 0 H ASP A 57 9.478 6.754 -23.244 1.00 0.00 H new ATOM 0 HA ASP A 57 9.229 4.157 -24.277 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.663 5.985 -24.319 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.316 4.687 -25.444 1.00 0.00 H new ATOM 913 N GLN A 58 11.772 4.507 -22.178 1.00 0.00 N ATOM 914 CA GLN A 58 12.649 3.773 -21.274 1.00 0.00 C ATOM 915 C GLN A 58 11.839 2.928 -20.296 1.00 0.00 C ATOM 916 O GLN A 58 12.327 1.925 -19.776 1.00 0.00 O ATOM 917 CB GLN A 58 13.551 4.741 -20.506 1.00 0.00 C ATOM 918 CG GLN A 58 14.835 5.089 -21.241 1.00 0.00 C ATOM 919 CD GLN A 58 15.630 3.861 -21.641 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.259 3.214 -20.803 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.605 3.533 -22.927 1.00 0.00 N ATOM 0 H GLN A 58 11.966 5.507 -22.234 1.00 0.00 H new ATOM 0 HA GLN A 58 13.270 3.107 -21.872 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.997 5.658 -20.305 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.802 4.302 -19.541 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.593 5.667 -22.133 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.452 5.725 -20.606 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.070 4.098 -23.587 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.120 2.716 -23.255 1.00 0.00 H new ATOM 930 N ASP A 59 10.601 3.342 -20.050 1.00 0.00 N ATOM 931 CA ASP A 59 9.723 2.623 -19.135 1.00 0.00 C ATOM 932 C ASP A 59 9.292 1.287 -19.731 1.00 0.00 C ATOM 933 O ASP A 59 9.540 0.229 -19.153 1.00 0.00 O ATOM 934 CB ASP A 59 8.492 3.469 -18.805 1.00 0.00 C ATOM 935 CG ASP A 59 8.524 4.011 -17.390 1.00 0.00 C ATOM 936 OD1 ASP A 59 9.635 4.183 -16.845 1.00 0.00 O ATOM 937 OD2 ASP A 59 7.439 4.266 -16.828 1.00 0.00 O ATOM 0 H ASP A 59 10.183 4.172 -20.471 1.00 0.00 H new ATOM 0 HA ASP A 59 10.278 2.428 -18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.427 4.300 -19.508 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.594 2.866 -18.940 1.00 0.00 H new ATOM 942 N ALA A 60 8.645 1.343 -20.891 1.00 0.00 N ATOM 943 CA ALA A 60 8.181 0.138 -21.566 1.00 0.00 C ATOM 944 C ALA A 60 9.297 -0.896 -21.672 1.00 0.00 C ATOM 945 O ALA A 60 9.040 -2.101 -21.702 1.00 0.00 O ATOM 946 CB ALA A 60 7.643 0.481 -22.948 1.00 0.00 C ATOM 0 H ALA A 60 8.431 2.211 -21.382 1.00 0.00 H new ATOM 0 HA ALA A 60 7.376 -0.295 -20.972 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.300 -0.429 -23.441 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.810 1.178 -22.852 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.433 0.940 -23.542 1.00 0.00 H new ATOM 952 N LEU A 61 10.535 -0.420 -21.731 1.00 0.00 N ATOM 953 CA LEU A 61 11.691 -1.303 -21.834 1.00 0.00 C ATOM 954 C LEU A 61 12.390 -1.446 -20.486 1.00 0.00 C ATOM 955 O LEU A 61 13.619 -1.484 -20.412 1.00 0.00 O ATOM 956 CB LEU A 61 12.674 -0.769 -22.877 1.00 0.00 C ATOM 957 CG LEU A 61 13.132 0.677 -22.689 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.581 0.723 -22.231 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.954 1.465 -23.979 1.00 0.00 C ATOM 0 H LEU A 61 10.765 0.574 -21.709 1.00 0.00 H new ATOM 0 HA LEU A 61 11.339 -2.286 -22.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.555 -1.411 -22.879 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.213 -0.858 -23.861 1.00 0.00 H new ATOM 0 HG LEU A 61 12.514 1.136 -21.918 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.889 1.761 -22.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.680 0.195 -21.283 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.214 0.246 -22.979 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.285 2.492 -23.827 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.547 1.006 -24.770 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.902 1.462 -24.265 1.00 0.00 H new ATOM 971 N LYS A 62 11.600 -1.526 -19.421 1.00 0.00 N ATOM 972 CA LYS A 62 12.141 -1.668 -18.075 1.00 0.00 C ATOM 973 C LYS A 62 11.162 -2.410 -17.170 1.00 0.00 C ATOM 974 O LYS A 62 11.505 -3.432 -16.574 1.00 0.00 O ATOM 975 CB LYS A 62 12.457 -0.293 -17.482 1.00 0.00 C ATOM 976 CG LYS A 62 13.944 0.014 -17.417 1.00 0.00 C ATOM 977 CD LYS A 62 14.240 1.129 -16.428 1.00 0.00 C ATOM 978 CE LYS A 62 14.270 2.487 -17.112 1.00 0.00 C ATOM 979 NZ LYS A 62 15.388 3.335 -16.613 1.00 0.00 N ATOM 0 H LYS A 62 10.581 -1.495 -19.464 1.00 0.00 H new ATOM 0 HA LYS A 62 13.061 -2.249 -18.140 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.962 0.473 -18.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.038 -0.235 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.490 -0.884 -17.128 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.301 0.300 -18.406 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.483 1.132 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.199 0.943 -15.944 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.371 2.349 -18.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.323 2.999 -16.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.374 4.252 -17.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.278 3.488 -15.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.294 2.858 -16.796 1.00 0.00 H new ATOM 993 N ILE A 63 9.943 -1.891 -17.074 1.00 0.00 N ATOM 994 CA ILE A 63 8.915 -2.506 -16.244 1.00 0.00 C ATOM 995 C ILE A 63 8.674 -3.956 -16.651 1.00 0.00 C ATOM 996 O ILE A 63 8.122 -4.743 -15.884 1.00 0.00 O ATOM 997 CB ILE A 63 7.585 -1.734 -16.330 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.728 -0.356 -15.680 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.469 -2.525 -15.665 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.209 0.715 -16.634 1.00 0.00 C ATOM 0 H ILE A 63 9.643 -1.046 -17.561 1.00 0.00 H new ATOM 0 HA ILE A 63 9.279 -2.474 -15.217 1.00 0.00 H new ATOM 0 HB ILE A 63 7.329 -1.596 -17.381 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.765 -0.057 -15.266 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.425 -0.428 -14.845 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.536 -1.966 -15.734 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.355 -3.486 -16.167 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.716 -2.691 -14.616 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.287 1.665 -16.105 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.186 0.438 -17.029 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.500 0.815 -17.456 1.00 0.00 H new ATOM 1012 N ASN A 64 9.095 -4.302 -17.864 1.00 0.00 N ATOM 1013 CA ASN A 64 8.927 -5.658 -18.373 1.00 0.00 C ATOM 1014 C ASN A 64 9.254 -6.688 -17.297 1.00 0.00 C ATOM 1015 O ASN A 64 8.605 -7.730 -17.200 1.00 0.00 O ATOM 1016 CB ASN A 64 9.819 -5.880 -19.596 1.00 0.00 C ATOM 1017 CG ASN A 64 11.051 -4.996 -19.581 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.168 -4.061 -20.373 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.978 -5.289 -18.677 1.00 0.00 N ATOM 0 H ASN A 64 9.555 -3.662 -18.512 1.00 0.00 H new ATOM 0 HA ASN A 64 7.884 -5.783 -18.665 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.126 -6.925 -19.634 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.245 -5.683 -20.502 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.829 -4.730 -18.619 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.839 -6.074 -18.040 1.00 0.00 H new ATOM 1026 N THR A 65 10.267 -6.389 -16.488 1.00 0.00 N ATOM 1027 CA THR A 65 10.682 -7.289 -15.419 1.00 0.00 C ATOM 1028 C THR A 65 10.262 -6.752 -14.056 1.00 0.00 C ATOM 1029 O THR A 65 10.595 -5.624 -13.691 1.00 0.00 O ATOM 1030 CB THR A 65 12.207 -7.503 -15.426 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.876 -6.276 -15.117 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.675 -8.015 -16.780 1.00 0.00 C ATOM 0 H THR A 65 10.814 -5.531 -16.553 1.00 0.00 H new ATOM 0 HA THR A 65 10.188 -8.244 -15.599 1.00 0.00 H new ATOM 0 HB THR A 65 12.450 -8.249 -14.669 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.845 -6.422 -15.122 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.755 -8.159 -16.761 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.186 -8.965 -16.999 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.419 -7.289 -17.552 1.00 0.00 H new ATOM 1040 N VAL A 66 9.529 -7.568 -13.304 1.00 0.00 N ATOM 1041 CA VAL A 66 9.065 -7.176 -11.979 1.00 0.00 C ATOM 1042 C VAL A 66 10.196 -6.567 -11.158 1.00 0.00 C ATOM 1043 O VAL A 66 9.968 -5.694 -10.321 1.00 0.00 O ATOM 1044 CB VAL A 66 8.477 -8.375 -11.212 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.110 -7.974 -9.792 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.268 -8.935 -11.946 1.00 0.00 C ATOM 0 H VAL A 66 9.244 -8.505 -13.590 1.00 0.00 H new ATOM 0 HA VAL A 66 8.284 -6.430 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 66 9.235 -9.156 -11.158 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.696 -8.835 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.001 -7.624 -9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.369 -7.175 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.865 -9.782 -11.390 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.505 -8.162 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.567 -9.264 -12.941 1.00 0.00 H new ATOM 1056 N GLN A 67 11.416 -7.034 -11.405 1.00 0.00 N ATOM 1057 CA GLN A 67 12.584 -6.535 -10.688 1.00 0.00 C ATOM 1058 C GLN A 67 12.896 -5.097 -11.090 1.00 0.00 C ATOM 1059 O GLN A 67 12.966 -4.207 -10.242 1.00 0.00 O ATOM 1060 CB GLN A 67 13.795 -7.428 -10.960 1.00 0.00 C ATOM 1061 CG GLN A 67 14.518 -7.874 -9.699 1.00 0.00 C ATOM 1062 CD GLN A 67 15.485 -6.828 -9.180 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.698 -6.943 -9.359 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.952 -5.798 -8.533 1.00 0.00 N ATOM 0 H GLN A 67 11.621 -7.756 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 67 12.360 -6.554 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.469 -8.309 -11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.495 -6.891 -11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.785 -8.101 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.062 -8.796 -9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.941 -5.742 -8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.553 -5.062 -8.162 1.00 0.00 H new ATOM 1073 N ASP A 68 13.083 -4.878 -12.386 1.00 0.00 N ATOM 1074 CA ASP A 68 13.388 -3.548 -12.901 1.00 0.00 C ATOM 1075 C ASP A 68 12.202 -2.607 -12.711 1.00 0.00 C ATOM 1076 O ASP A 68 12.375 -1.403 -12.531 1.00 0.00 O ATOM 1077 CB ASP A 68 13.762 -3.624 -14.382 1.00 0.00 C ATOM 1078 CG ASP A 68 14.173 -2.278 -14.945 1.00 0.00 C ATOM 1079 OD1 ASP A 68 13.337 -1.351 -14.934 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.330 -2.152 -15.398 1.00 0.00 O ATOM 0 H ASP A 68 13.029 -5.604 -13.100 1.00 0.00 H new ATOM 0 HA ASP A 68 14.236 -3.154 -12.340 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.579 -4.334 -14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.914 -4.008 -14.949 1.00 0.00 H new ATOM 1085 N ALA A 69 10.997 -3.167 -12.754 1.00 0.00 N ATOM 1086 CA ALA A 69 9.782 -2.378 -12.586 1.00 0.00 C ATOM 1087 C ALA A 69 9.765 -1.679 -11.231 1.00 0.00 C ATOM 1088 O ALA A 69 9.812 -0.451 -11.155 1.00 0.00 O ATOM 1089 CB ALA A 69 8.554 -3.262 -12.742 1.00 0.00 C ATOM 0 H ALA A 69 10.836 -4.163 -12.904 1.00 0.00 H new ATOM 0 HA ALA A 69 9.765 -1.612 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.654 -2.660 -12.614 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.553 -3.711 -13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.574 -4.049 -11.988 1.00 0.00 H new ATOM 1095 N ILE A 70 9.696 -2.468 -10.164 1.00 0.00 N ATOM 1096 CA ILE A 70 9.672 -1.924 -8.812 1.00 0.00 C ATOM 1097 C ILE A 70 10.919 -1.091 -8.533 1.00 0.00 C ATOM 1098 O ILE A 70 10.892 -0.169 -7.718 1.00 0.00 O ATOM 1099 CB ILE A 70 9.568 -3.041 -7.757 1.00 0.00 C ATOM 1100 CG1 ILE A 70 9.650 -2.451 -6.348 1.00 0.00 C ATOM 1101 CG2 ILE A 70 10.665 -4.074 -7.970 1.00 0.00 C ATOM 1102 CD1 ILE A 70 8.649 -3.048 -5.384 1.00 0.00 C ATOM 0 H ILE A 70 9.656 -3.486 -10.210 1.00 0.00 H new ATOM 0 HA ILE A 70 8.790 -1.288 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 70 8.603 -3.536 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.656 -2.605 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.491 -1.374 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.579 -4.857 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.564 -4.513 -8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.639 -3.593 -7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.764 -2.583 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.639 -2.871 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.822 -4.121 -5.298 1.00 0.00 H new ATOM 1114 N ASP A 71 12.009 -1.422 -9.216 1.00 0.00 N ATOM 1115 CA ASP A 71 13.266 -0.703 -9.044 1.00 0.00 C ATOM 1116 C ASP A 71 13.247 0.617 -9.810 1.00 0.00 C ATOM 1117 O ASP A 71 14.012 1.533 -9.508 1.00 0.00 O ATOM 1118 CB ASP A 71 14.439 -1.563 -9.516 1.00 0.00 C ATOM 1119 CG ASP A 71 14.955 -2.485 -8.429 1.00 0.00 C ATOM 1120 OD1 ASP A 71 14.134 -3.209 -7.825 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.179 -2.485 -8.182 1.00 0.00 O ATOM 0 H ASP A 71 12.048 -2.183 -9.894 1.00 0.00 H new ATOM 0 HA ASP A 71 13.389 -0.485 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.127 -2.157 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.248 -0.915 -9.853 1.00 0.00 H new ATOM 1126 N TYR A 72 12.368 0.706 -10.802 1.00 0.00 N ATOM 1127 CA TYR A 72 12.251 1.911 -11.614 1.00 0.00 C ATOM 1128 C TYR A 72 11.424 2.973 -10.895 1.00 0.00 C ATOM 1129 O TYR A 72 11.705 4.168 -10.998 1.00 0.00 O ATOM 1130 CB TYR A 72 11.615 1.582 -12.965 1.00 0.00 C ATOM 1131 CG TYR A 72 10.439 2.466 -13.312 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.627 3.788 -13.697 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.138 1.980 -13.255 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.556 4.599 -14.014 1.00 0.00 C ATOM 1135 CE2 TYR A 72 8.061 2.784 -13.572 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.274 4.093 -13.951 1.00 0.00 C ATOM 1137 OH TYR A 72 7.203 4.897 -14.266 1.00 0.00 O ATOM 0 H TYR A 72 11.726 -0.042 -11.063 1.00 0.00 H new ATOM 0 HA TYR A 72 13.253 2.306 -11.779 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.371 1.674 -13.745 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.288 0.542 -12.960 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.629 4.188 -13.749 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.967 0.956 -12.958 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.721 5.625 -14.310 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.057 2.390 -13.523 1.00 0.00 H new ATOM 0 HH TYR A 72 6.920 4.718 -15.187 1.00 0.00 H new ATOM 1147 N ILE A 73 10.405 2.529 -10.168 1.00 0.00 N ATOM 1148 CA ILE A 73 9.538 3.440 -9.431 1.00 0.00 C ATOM 1149 C ILE A 73 10.174 3.854 -8.109 1.00 0.00 C ATOM 1150 O ILE A 73 9.905 4.938 -7.592 1.00 0.00 O ATOM 1151 CB ILE A 73 8.164 2.805 -9.150 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.286 1.727 -8.071 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.579 2.219 -10.427 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.932 2.217 -6.684 1.00 0.00 C ATOM 0 H ILE A 73 10.159 1.544 -10.073 1.00 0.00 H new ATOM 0 HA ILE A 73 9.400 4.321 -10.057 1.00 0.00 H new ATOM 0 HB ILE A 73 7.490 3.581 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.636 0.891 -8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.307 1.346 -8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.608 1.774 -10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.460 3.009 -11.168 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.250 1.454 -10.817 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.041 1.400 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.598 3.033 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.901 2.571 -6.675 1.00 0.00 H new ATOM 1166 N GLU A 74 11.021 2.984 -7.567 1.00 0.00 N ATOM 1167 CA GLU A 74 11.697 3.261 -6.305 1.00 0.00 C ATOM 1168 C GLU A 74 12.929 4.134 -6.527 1.00 0.00 C ATOM 1169 O GLU A 74 13.292 4.945 -5.675 1.00 0.00 O ATOM 1170 CB GLU A 74 12.101 1.954 -5.619 1.00 0.00 C ATOM 1171 CG GLU A 74 10.922 1.157 -5.087 1.00 0.00 C ATOM 1172 CD GLU A 74 10.218 1.852 -3.937 1.00 0.00 C ATOM 1173 OE1 GLU A 74 10.671 2.946 -3.541 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.217 1.302 -3.434 1.00 0.00 O ATOM 0 H GLU A 74 11.255 2.082 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 74 11.002 3.801 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.655 1.338 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.778 2.180 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.210 0.987 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.270 0.178 -4.757 1.00 0.00 H new ATOM 1181 N LYS A 75 13.569 3.960 -7.678 1.00 0.00 N ATOM 1182 CA LYS A 75 14.760 4.731 -8.015 1.00 0.00 C ATOM 1183 C LYS A 75 14.385 6.122 -8.517 1.00 0.00 C ATOM 1184 O LYS A 75 15.120 7.086 -8.309 1.00 0.00 O ATOM 1185 CB LYS A 75 15.583 3.999 -9.078 1.00 0.00 C ATOM 1186 CG LYS A 75 14.977 4.065 -10.469 1.00 0.00 C ATOM 1187 CD LYS A 75 15.572 5.203 -11.282 1.00 0.00 C ATOM 1188 CE LYS A 75 16.947 4.841 -11.823 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.906 4.529 -13.278 1.00 0.00 N ATOM 0 H LYS A 75 13.283 3.292 -8.394 1.00 0.00 H new ATOM 0 HA LYS A 75 15.359 4.840 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.585 4.426 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.690 2.954 -8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.146 3.120 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.898 4.197 -10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.907 5.447 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.648 6.095 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.635 5.668 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.337 3.981 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.862 4.287 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.269 3.724 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.558 5.358 -13.801 1.00 0.00 H new ATOM 1203 N ASN A 76 13.236 6.217 -9.177 1.00 0.00 N ATOM 1204 CA ASN A 76 12.762 7.491 -9.707 1.00 0.00 C ATOM 1205 C ASN A 76 11.853 8.194 -8.704 1.00 0.00 C ATOM 1206 O ASN A 76 12.260 9.150 -8.045 1.00 0.00 O ATOM 1207 CB ASN A 76 12.015 7.273 -11.024 1.00 0.00 C ATOM 1208 CG ASN A 76 12.951 6.958 -12.175 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.755 5.983 -12.901 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.976 7.785 -12.346 1.00 0.00 N ATOM 0 H ASN A 76 12.616 5.428 -9.358 1.00 0.00 H new ATOM 0 HA ASN A 76 13.630 8.125 -9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.304 6.456 -10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.437 8.166 -11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.640 7.624 -13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.099 8.581 -11.720 1.00 0.00 H new ATOM 1217 N ASN A 77 10.619 7.712 -8.593 1.00 0.00 N ATOM 1218 CA ASN A 77 9.651 8.293 -7.670 1.00 0.00 C ATOM 1219 C ASN A 77 10.076 8.067 -6.222 1.00 0.00 C ATOM 1220 O ASN A 77 10.344 6.938 -5.811 1.00 0.00 O ATOM 1221 CB ASN A 77 8.265 7.692 -7.906 1.00 0.00 C ATOM 1222 CG ASN A 77 7.468 7.555 -6.623 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.702 8.446 -6.257 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.645 6.434 -5.934 1.00 0.00 N ATOM 0 H ASN A 77 10.266 6.921 -9.131 1.00 0.00 H new ATOM 0 HA ASN A 77 9.610 9.366 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.715 8.319 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.371 6.712 -8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.135 6.285 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.291 5.722 -6.276 1.00 0.00 H new