USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 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 26 GLN : amide:sc= -0.532 K(o=-0.36,f=-3.4) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 173:sc= 0.174 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 179:sc= -0.173 (180deg=-0.182) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 93:sc= 1.18 USER MOD Single : A 7 SER OG : rot 93:sc= 1.09 USER MOD Single : A 8 CYS SG : rot 70:sc= -0.696 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 0.38 (180deg=-0.339) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0622 F(o=-1.5,f=-0.062) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0817 (180deg=-0.438) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.354 F(o=-1.2,f=-0.35) USER MOD Single : A 47 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 71:sc= 1.28 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 146:sc= -0.408 (180deg=-2.28) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.908 4.407 -9.788 1.00 0.00 N ATOM 64 CA SER A 1 -5.038 4.189 -10.683 1.00 0.00 C ATOM 65 C SER A 1 -4.677 3.193 -11.781 1.00 0.00 C ATOM 66 O SER A 1 -5.516 2.830 -12.605 1.00 0.00 O ATOM 67 CB SER A 1 -5.485 5.513 -11.307 1.00 0.00 C ATOM 68 OG SER A 1 -6.887 5.533 -11.510 1.00 0.00 O ATOM 0 H1 SER A 1 -4.171 5.101 -9.059 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.647 3.509 -9.333 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.098 4.767 -10.332 1.00 0.00 H new ATOM 0 HA SER A 1 -5.859 3.776 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.196 6.340 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.974 5.661 -12.259 1.00 0.00 H new ATOM 0 HG SER A 1 -7.148 6.390 -11.908 1.00 0.00 H new ATOM 74 N ALA A 2 -3.423 2.755 -11.786 1.00 0.00 N ATOM 75 CA ALA A 2 -2.950 1.800 -12.780 1.00 0.00 C ATOM 76 C ALA A 2 -3.516 0.409 -12.517 1.00 0.00 C ATOM 77 O ALA A 2 -3.760 -0.359 -13.449 1.00 0.00 O ATOM 78 CB ALA A 2 -1.429 1.759 -12.792 1.00 0.00 C ATOM 0 H ALA A 2 -2.715 3.047 -11.112 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.301 2.128 -13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.090 1.041 -13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.040 2.748 -13.036 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.065 1.459 -11.809 1.00 0.00 H new ATOM 84 N ASP A 3 -3.722 0.090 -11.244 1.00 0.00 N ATOM 85 CA ASP A 3 -4.260 -1.210 -10.859 1.00 0.00 C ATOM 86 C ASP A 3 -5.768 -1.262 -11.082 1.00 0.00 C ATOM 87 O ASP A 3 -6.305 -2.273 -11.535 1.00 0.00 O ATOM 88 CB ASP A 3 -3.938 -1.505 -9.393 1.00 0.00 C ATOM 89 CG ASP A 3 -4.194 -2.953 -9.024 1.00 0.00 C ATOM 90 OD1 ASP A 3 -3.742 -3.844 -9.772 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.848 -3.195 -7.987 1.00 0.00 O ATOM 0 H ASP A 3 -3.525 0.713 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.792 -1.969 -11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.893 -1.263 -9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.540 -0.858 -8.755 1.00 0.00 H new ATOM 96 N LEU A 4 -6.446 -0.166 -10.760 1.00 0.00 N ATOM 97 CA LEU A 4 -7.894 -0.086 -10.925 1.00 0.00 C ATOM 98 C LEU A 4 -8.274 -0.062 -12.402 1.00 0.00 C ATOM 99 O LEU A 4 -9.229 -0.717 -12.818 1.00 0.00 O ATOM 100 CB LEU A 4 -8.438 1.162 -10.226 1.00 0.00 C ATOM 101 CG LEU A 4 -9.960 1.303 -10.195 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.455 1.429 -8.763 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.401 2.502 -11.021 1.00 0.00 C ATOM 0 H LEU A 4 -6.017 0.679 -10.383 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.336 -0.972 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.071 1.168 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.022 2.041 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.398 0.405 -10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.540 1.528 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.171 0.540 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.009 2.309 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.487 2.587 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.953 3.409 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.079 2.370 -12.054 1.00 0.00 H new ATOM 115 N VAL A 5 -7.517 0.695 -13.190 1.00 0.00 N ATOM 116 CA VAL A 5 -7.772 0.802 -14.622 1.00 0.00 C ATOM 117 C VAL A 5 -7.417 -0.495 -15.341 1.00 0.00 C ATOM 118 O VAL A 5 -8.226 -1.043 -16.090 1.00 0.00 O ATOM 119 CB VAL A 5 -6.974 1.960 -15.249 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.102 1.937 -16.765 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.441 3.294 -14.687 1.00 0.00 C ATOM 0 H VAL A 5 -6.722 1.243 -12.861 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.837 1.000 -14.741 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.922 1.833 -14.995 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.532 2.762 -17.191 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.715 0.993 -17.149 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.151 2.039 -17.043 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.866 4.101 -15.141 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.499 3.432 -14.909 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.293 3.306 -13.607 1.00 0.00 H new ATOM 131 N SER A 6 -6.202 -0.980 -15.108 1.00 0.00 N ATOM 132 CA SER A 6 -5.737 -2.211 -15.736 1.00 0.00 C ATOM 133 C SER A 6 -6.649 -3.381 -15.380 1.00 0.00 C ATOM 134 O SER A 6 -6.956 -4.223 -16.224 1.00 0.00 O ATOM 135 CB SER A 6 -4.302 -2.519 -15.305 1.00 0.00 C ATOM 136 OG SER A 6 -3.403 -1.534 -15.786 1.00 0.00 O ATOM 0 H SER A 6 -5.522 -0.539 -14.489 1.00 0.00 H new ATOM 0 HA SER A 6 -5.761 -2.069 -16.816 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.248 -2.566 -14.217 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.008 -3.499 -15.681 1.00 0.00 H new ATOM 0 HG SER A 6 -3.289 -0.836 -15.108 1.00 0.00 H new ATOM 142 N SER A 7 -7.079 -3.426 -14.123 1.00 0.00 N ATOM 143 CA SER A 7 -7.953 -4.494 -13.652 1.00 0.00 C ATOM 144 C SER A 7 -9.354 -4.348 -14.238 1.00 0.00 C ATOM 145 O SER A 7 -9.922 -5.307 -14.763 1.00 0.00 O ATOM 146 CB SER A 7 -8.024 -4.487 -12.124 1.00 0.00 C ATOM 147 OG SER A 7 -6.787 -4.878 -11.553 1.00 0.00 O ATOM 0 H SER A 7 -6.836 -2.735 -13.413 1.00 0.00 H new ATOM 0 HA SER A 7 -7.536 -5.444 -13.985 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.290 -3.490 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.812 -5.163 -11.791 1.00 0.00 H new ATOM 0 HG SER A 7 -6.243 -4.083 -11.375 1.00 0.00 H new ATOM 153 N CYS A 8 -9.904 -3.143 -14.145 1.00 0.00 N ATOM 154 CA CYS A 8 -11.240 -2.870 -14.665 1.00 0.00 C ATOM 155 C CYS A 8 -11.304 -3.139 -16.165 1.00 0.00 C ATOM 156 O CYS A 8 -12.254 -3.748 -16.658 1.00 0.00 O ATOM 157 CB CYS A 8 -11.636 -1.422 -14.376 1.00 0.00 C ATOM 158 SG CYS A 8 -12.272 -1.149 -12.706 1.00 0.00 S ATOM 0 H CYS A 8 -9.446 -2.339 -13.715 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.942 -3.537 -14.165 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.768 -0.781 -14.532 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.393 -1.113 -15.096 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.304 -1.274 -11.847 1.00 0.00 H new ATOM 164 N LYS A 9 -10.288 -2.680 -16.887 1.00 0.00 N ATOM 165 CA LYS A 9 -10.228 -2.869 -18.332 1.00 0.00 C ATOM 166 C LYS A 9 -10.143 -4.351 -18.683 1.00 0.00 C ATOM 167 O LYS A 9 -10.952 -4.863 -19.457 1.00 0.00 O ATOM 168 CB LYS A 9 -9.024 -2.126 -18.915 1.00 0.00 C ATOM 169 CG LYS A 9 -8.703 -2.517 -20.347 1.00 0.00 C ATOM 170 CD LYS A 9 -7.415 -3.319 -20.432 1.00 0.00 C ATOM 171 CE LYS A 9 -6.314 -2.533 -21.127 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.417 -2.626 -22.609 1.00 0.00 N ATOM 0 H LYS A 9 -9.494 -2.174 -16.495 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.142 -2.462 -18.765 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.215 -1.054 -18.874 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.152 -2.318 -18.290 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.525 -3.103 -20.758 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.615 -1.619 -20.959 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.089 -3.594 -19.429 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.598 -4.247 -20.973 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.368 -1.487 -20.824 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.342 -2.908 -20.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.649 -2.077 -23.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.340 -3.621 -22.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.334 -2.245 -22.918 1.00 0.00 H new ATOM 186 N ASP A 10 -9.159 -5.035 -18.108 1.00 0.00 N ATOM 187 CA ASP A 10 -8.971 -6.460 -18.359 1.00 0.00 C ATOM 188 C ASP A 10 -10.276 -7.224 -18.161 1.00 0.00 C ATOM 189 O ASP A 10 -10.683 -8.011 -19.016 1.00 0.00 O ATOM 190 CB ASP A 10 -7.890 -7.023 -17.434 1.00 0.00 C ATOM 191 CG ASP A 10 -7.614 -8.491 -17.693 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.974 -8.979 -18.785 1.00 0.00 O ATOM 193 OD2 ASP A 10 -7.038 -9.152 -16.805 1.00 0.00 O ATOM 0 H ASP A 10 -8.480 -4.626 -17.466 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.653 -6.583 -19.394 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.970 -6.454 -17.567 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.199 -6.892 -16.397 1.00 0.00 H new ATOM 198 N LYS A 11 -10.928 -6.987 -17.028 1.00 0.00 N ATOM 199 CA LYS A 11 -12.188 -7.652 -16.717 1.00 0.00 C ATOM 200 C LYS A 11 -13.285 -7.220 -17.685 1.00 0.00 C ATOM 201 O LYS A 11 -13.940 -8.056 -18.310 1.00 0.00 O ATOM 202 CB LYS A 11 -12.611 -7.342 -15.279 1.00 0.00 C ATOM 203 CG LYS A 11 -12.309 -8.464 -14.301 1.00 0.00 C ATOM 204 CD LYS A 11 -11.400 -7.994 -13.177 1.00 0.00 C ATOM 205 CE LYS A 11 -11.774 -8.639 -11.851 1.00 0.00 C ATOM 206 NZ LYS A 11 -11.628 -7.691 -10.712 1.00 0.00 N ATOM 0 H LYS A 11 -10.605 -6.339 -16.310 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.038 -8.727 -16.822 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.104 -6.436 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.681 -7.133 -15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.241 -8.843 -13.882 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.837 -9.292 -14.830 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.365 -8.234 -13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.463 -6.910 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.803 -8.995 -11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.143 -9.511 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.867 -8.018 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.395 -6.745 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.521 -7.647 -10.180 1.00 0.00 H new ATOM 220 N LEU A 12 -13.480 -5.912 -17.805 1.00 0.00 N ATOM 221 CA LEU A 12 -14.497 -5.369 -18.699 1.00 0.00 C ATOM 222 C LEU A 12 -14.366 -5.963 -20.097 1.00 0.00 C ATOM 223 O LEU A 12 -15.362 -6.324 -20.725 1.00 0.00 O ATOM 224 CB LEU A 12 -14.383 -3.845 -18.767 1.00 0.00 C ATOM 225 CG LEU A 12 -15.582 -3.108 -19.366 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.303 -2.304 -18.296 1.00 0.00 C ATOM 227 CD2 LEU A 12 -15.137 -2.205 -20.506 1.00 0.00 C ATOM 0 H LEU A 12 -12.948 -5.207 -17.295 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.476 -5.637 -18.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.217 -3.468 -17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.498 -3.593 -19.351 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.277 -3.847 -19.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.153 -1.787 -18.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.656 -2.975 -17.513 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.618 -1.573 -17.866 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.003 -1.689 -20.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.422 -1.472 -20.132 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.667 -2.806 -21.284 1.00 0.00 H new ATOM 239 N ALA A 13 -13.132 -6.063 -20.579 1.00 0.00 N ATOM 240 CA ALA A 13 -12.870 -6.617 -21.902 1.00 0.00 C ATOM 241 C ALA A 13 -13.186 -8.109 -21.944 1.00 0.00 C ATOM 242 O ALA A 13 -13.706 -8.615 -22.938 1.00 0.00 O ATOM 243 CB ALA A 13 -11.423 -6.370 -22.301 1.00 0.00 C ATOM 0 H ALA A 13 -12.297 -5.767 -20.073 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.522 -6.114 -22.616 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.242 -6.789 -23.291 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.229 -5.298 -22.320 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.760 -6.846 -21.579 1.00 0.00 H new ATOM 249 N TYR A 14 -12.867 -8.807 -20.860 1.00 0.00 N ATOM 250 CA TYR A 14 -13.113 -10.241 -20.775 1.00 0.00 C ATOM 251 C TYR A 14 -14.602 -10.529 -20.603 1.00 0.00 C ATOM 252 O TYR A 14 -15.065 -11.641 -20.859 1.00 0.00 O ATOM 253 CB TYR A 14 -12.328 -10.847 -19.610 1.00 0.00 C ATOM 254 CG TYR A 14 -12.483 -12.346 -19.490 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.265 -13.177 -20.582 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.848 -12.932 -18.284 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.406 -14.547 -20.477 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.991 -14.301 -18.169 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.769 -15.104 -19.269 1.00 0.00 C ATOM 260 OH TYR A 14 -12.910 -16.469 -19.159 1.00 0.00 O ATOM 0 H TYR A 14 -12.437 -8.403 -20.028 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.778 -10.697 -21.707 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.271 -10.608 -19.732 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.655 -10.381 -18.681 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.980 -12.744 -21.530 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.023 -12.306 -17.421 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.233 -15.178 -21.336 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -13.275 -14.740 -17.224 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.168 -16.698 -18.242 1.00 0.00 H new ATOM 270 N PHE A 15 -15.347 -9.518 -20.167 1.00 0.00 N ATOM 271 CA PHE A 15 -16.783 -9.661 -19.960 1.00 0.00 C ATOM 272 C PHE A 15 -17.561 -9.128 -21.160 1.00 0.00 C ATOM 273 O PHE A 15 -17.292 -8.031 -21.650 1.00 0.00 O ATOM 274 CB PHE A 15 -17.212 -8.922 -18.691 1.00 0.00 C ATOM 275 CG PHE A 15 -16.449 -9.340 -17.467 1.00 0.00 C ATOM 276 CD1 PHE A 15 -15.889 -10.605 -17.381 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.290 -8.468 -16.402 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.185 -10.992 -16.257 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.587 -8.850 -15.275 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.035 -10.113 -15.202 1.00 0.00 C ATOM 0 H PHE A 15 -14.980 -8.591 -19.950 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.005 -10.722 -19.847 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -17.081 -7.851 -18.842 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.275 -9.093 -18.523 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.004 -11.296 -18.203 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.720 -7.479 -16.453 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.753 -11.980 -16.203 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.470 -8.161 -14.452 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.487 -10.414 -14.321 1.00 0.00 H new ATOM 290 N ARG A 16 -18.526 -9.913 -21.628 1.00 0.00 N ATOM 291 CA ARG A 16 -19.342 -9.521 -22.771 1.00 0.00 C ATOM 292 C ARG A 16 -19.933 -8.130 -22.566 1.00 0.00 C ATOM 293 O ARG A 16 -19.825 -7.552 -21.484 1.00 0.00 O ATOM 294 CB ARG A 16 -20.465 -10.536 -22.994 1.00 0.00 C ATOM 295 CG ARG A 16 -20.911 -10.642 -24.444 1.00 0.00 C ATOM 296 CD ARG A 16 -20.809 -12.071 -24.955 1.00 0.00 C ATOM 297 NE ARG A 16 -19.422 -12.520 -25.051 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.056 -13.650 -25.645 1.00 0.00 C ATOM 299 NH1 ARG A 16 -19.968 -14.442 -26.192 1.00 0.00 N ATOM 300 NH2 ARG A 16 -17.774 -13.991 -25.692 1.00 0.00 N ATOM 0 H ARG A 16 -18.762 -10.824 -21.234 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.701 -9.498 -23.652 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.131 -11.516 -22.653 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.321 -10.259 -22.379 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.940 -10.294 -24.536 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.297 -9.988 -25.063 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.360 -12.735 -24.288 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.281 -12.140 -25.935 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.696 -11.934 -24.640 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.954 -14.184 -26.157 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -19.683 -15.309 -26.647 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.069 -13.385 -25.272 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.494 -14.859 -26.148 1.00 0.00 H new ATOM 314 N ILE A 17 -20.558 -7.598 -23.611 1.00 0.00 N ATOM 315 CA ILE A 17 -21.167 -6.275 -23.545 1.00 0.00 C ATOM 316 C ILE A 17 -22.088 -6.154 -22.337 1.00 0.00 C ATOM 317 O ILE A 17 -22.334 -5.056 -21.837 1.00 0.00 O ATOM 318 CB ILE A 17 -21.968 -5.960 -24.822 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.140 -6.289 -26.065 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.393 -4.499 -24.834 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.539 -5.492 -27.287 1.00 0.00 C ATOM 0 H ILE A 17 -20.656 -8.063 -24.514 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.353 -5.557 -23.451 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.865 -6.580 -24.832 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.088 -6.105 -25.849 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.239 -7.352 -26.286 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.958 -4.292 -25.743 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.017 -4.294 -23.964 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.509 -3.863 -24.804 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.909 -5.778 -28.130 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.582 -5.694 -27.529 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.413 -4.428 -27.085 1.00 0.00 H new ATOM 333 N LYS A 18 -22.595 -7.290 -21.870 1.00 0.00 N ATOM 334 CA LYS A 18 -23.488 -7.313 -20.717 1.00 0.00 C ATOM 335 C LYS A 18 -22.922 -6.477 -19.573 1.00 0.00 C ATOM 336 O LYS A 18 -23.618 -5.636 -19.005 1.00 0.00 O ATOM 337 CB LYS A 18 -23.712 -8.753 -20.248 1.00 0.00 C ATOM 338 CG LYS A 18 -25.177 -9.123 -20.100 1.00 0.00 C ATOM 339 CD LYS A 18 -25.881 -9.166 -21.446 1.00 0.00 C ATOM 340 CE LYS A 18 -27.318 -8.680 -21.339 1.00 0.00 C ATOM 341 NZ LYS A 18 -28.089 -8.950 -22.585 1.00 0.00 N ATOM 0 H LYS A 18 -22.403 -8.207 -22.272 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.443 -6.883 -21.020 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.244 -9.435 -20.958 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.211 -8.897 -19.291 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.260 -10.095 -19.614 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.672 -8.399 -19.453 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.339 -8.547 -22.161 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.868 -10.185 -21.832 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.806 -9.171 -20.497 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -27.325 -7.610 -21.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -29.063 -8.604 -22.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.638 -8.461 -23.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.104 -9.973 -22.769 1.00 0.00 H new ATOM 355 N GLU A 19 -21.656 -6.714 -19.243 1.00 0.00 N ATOM 356 CA GLU A 19 -20.998 -5.981 -18.168 1.00 0.00 C ATOM 357 C GLU A 19 -20.962 -4.486 -18.471 1.00 0.00 C ATOM 358 O GLU A 19 -21.390 -3.666 -17.658 1.00 0.00 O ATOM 359 CB GLU A 19 -19.576 -6.505 -17.960 1.00 0.00 C ATOM 360 CG GLU A 19 -19.155 -6.561 -16.501 1.00 0.00 C ATOM 361 CD GLU A 19 -18.160 -5.475 -16.139 1.00 0.00 C ATOM 362 OE1 GLU A 19 -17.288 -5.167 -16.978 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.253 -4.935 -15.017 1.00 0.00 O ATOM 0 H GLU A 19 -21.066 -7.407 -19.704 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.572 -6.135 -17.254 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.499 -7.504 -18.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.880 -5.868 -18.506 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -20.037 -6.466 -15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.716 -7.536 -16.291 1.00 0.00 H new ATOM 370 N LEU A 20 -20.449 -4.139 -19.646 1.00 0.00 N ATOM 371 CA LEU A 20 -20.356 -2.742 -20.057 1.00 0.00 C ATOM 372 C LEU A 20 -21.732 -2.085 -20.070 1.00 0.00 C ATOM 373 O LEU A 20 -21.864 -0.888 -19.814 1.00 0.00 O ATOM 374 CB LEU A 20 -19.716 -2.640 -21.443 1.00 0.00 C ATOM 375 CG LEU A 20 -18.231 -2.992 -21.525 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.039 -4.501 -21.526 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.603 -2.372 -22.764 1.00 0.00 C ATOM 0 H LEU A 20 -20.091 -4.805 -20.331 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.731 -2.217 -19.335 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.262 -3.295 -22.122 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.848 -1.621 -21.808 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.732 -2.583 -20.646 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.975 -4.732 -21.585 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.451 -4.921 -20.609 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.552 -4.933 -22.385 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.546 -2.633 -22.806 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.105 -2.750 -23.654 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.707 -1.288 -22.721 1.00 0.00 H new ATOM 389 N LYS A 21 -22.757 -2.877 -20.368 1.00 0.00 N ATOM 390 CA LYS A 21 -24.125 -2.375 -20.411 1.00 0.00 C ATOM 391 C LYS A 21 -24.605 -1.982 -19.017 1.00 0.00 C ATOM 392 O LYS A 21 -25.160 -0.900 -18.824 1.00 0.00 O ATOM 393 CB LYS A 21 -25.060 -3.432 -21.003 1.00 0.00 C ATOM 394 CG LYS A 21 -26.409 -2.881 -21.430 1.00 0.00 C ATOM 395 CD LYS A 21 -27.385 -2.830 -20.266 1.00 0.00 C ATOM 396 CE LYS A 21 -28.809 -2.589 -20.743 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.698 -3.745 -20.441 1.00 0.00 N ATOM 0 H LYS A 21 -22.666 -3.870 -20.583 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.140 -1.489 -21.045 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.576 -3.892 -21.865 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.216 -4.220 -20.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.280 -1.880 -21.842 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.822 -3.502 -22.225 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.340 -3.767 -19.711 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.091 -2.037 -19.578 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -29.205 -1.692 -20.266 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.806 -2.404 -21.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.659 -3.542 -20.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.335 -4.596 -20.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.721 -3.906 -19.414 1.00 0.00 H new ATOM 411 N ASP A 22 -24.385 -2.865 -18.050 1.00 0.00 N ATOM 412 CA ASP A 22 -24.792 -2.609 -16.673 1.00 0.00 C ATOM 413 C ASP A 22 -24.080 -1.380 -16.115 1.00 0.00 C ATOM 414 O ASP A 22 -24.685 -0.559 -15.426 1.00 0.00 O ATOM 415 CB ASP A 22 -24.498 -3.826 -15.796 1.00 0.00 C ATOM 416 CG ASP A 22 -25.687 -4.760 -15.684 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.302 -5.066 -16.727 1.00 0.00 O ATOM 418 OD2 ASP A 22 -26.004 -5.184 -14.552 1.00 0.00 O ATOM 0 H ASP A 22 -23.927 -3.765 -18.194 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.865 -2.419 -16.668 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.649 -4.371 -16.209 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.208 -3.491 -14.800 1.00 0.00 H new ATOM 423 N ILE A 23 -22.791 -1.263 -16.417 1.00 0.00 N ATOM 424 CA ILE A 23 -21.996 -0.135 -15.946 1.00 0.00 C ATOM 425 C ILE A 23 -22.495 1.176 -16.544 1.00 0.00 C ATOM 426 O ILE A 23 -22.870 2.099 -15.819 1.00 0.00 O ATOM 427 CB ILE A 23 -20.507 -0.312 -16.294 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.949 -1.569 -15.623 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.715 0.916 -15.871 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.507 -1.854 -15.979 1.00 0.00 C ATOM 0 H ILE A 23 -22.275 -1.935 -16.985 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.105 -0.102 -14.862 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.413 -0.427 -17.374 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.033 -1.462 -14.542 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.561 -2.425 -15.907 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.664 0.776 -16.124 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.099 1.794 -16.391 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.814 1.060 -14.795 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.178 -2.759 -15.468 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.419 -1.993 -17.056 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.883 -1.015 -15.670 1.00 0.00 H new ATOM 442 N LEU A 24 -22.498 1.252 -17.870 1.00 0.00 N ATOM 443 CA LEU A 24 -22.952 2.451 -18.567 1.00 0.00 C ATOM 444 C LEU A 24 -24.407 2.758 -18.228 1.00 0.00 C ATOM 445 O LEU A 24 -24.836 3.910 -18.277 1.00 0.00 O ATOM 446 CB LEU A 24 -22.794 2.277 -20.078 1.00 0.00 C ATOM 447 CG LEU A 24 -24.073 2.406 -20.906 1.00 0.00 C ATOM 448 CD1 LEU A 24 -23.742 2.769 -22.346 1.00 0.00 C ATOM 449 CD2 LEU A 24 -24.878 1.116 -20.850 1.00 0.00 C ATOM 0 H LEU A 24 -22.191 0.498 -18.484 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.337 3.288 -18.238 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.077 3.016 -20.436 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.360 1.295 -20.267 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.679 3.206 -20.481 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -24.664 2.857 -22.920 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.209 3.720 -22.368 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.115 1.991 -22.782 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.785 1.227 -21.445 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.280 0.296 -21.249 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.147 0.899 -19.816 1.00 0.00 H new ATOM 461 N ASN A 25 -25.161 1.720 -17.882 1.00 0.00 N ATOM 462 CA ASN A 25 -26.568 1.880 -17.534 1.00 0.00 C ATOM 463 C ASN A 25 -26.719 2.607 -16.201 1.00 0.00 C ATOM 464 O ASN A 25 -27.520 3.533 -16.076 1.00 0.00 O ATOM 465 CB ASN A 25 -27.256 0.515 -17.463 1.00 0.00 C ATOM 466 CG ASN A 25 -28.376 0.483 -16.442 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.034 0.168 -15.198 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.535 0.740 -16.767 1.00 0.00 N flip ATOM 0 H ASN A 25 -24.821 0.759 -17.835 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.043 2.479 -18.311 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.656 0.262 -18.445 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.519 -0.248 -17.213 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.753 0.977 -17.735 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.278 0.716 -16.068 1.00 0.00 H new ATOM 475 N GLN A 26 -25.944 2.180 -15.209 1.00 0.00 N ATOM 476 CA GLN A 26 -25.992 2.791 -13.886 1.00 0.00 C ATOM 477 C GLN A 26 -25.429 4.208 -13.919 1.00 0.00 C ATOM 478 O GLN A 26 -25.849 5.072 -13.149 1.00 0.00 O ATOM 479 CB GLN A 26 -25.211 1.942 -12.881 1.00 0.00 C ATOM 480 CG GLN A 26 -25.981 0.732 -12.378 1.00 0.00 C ATOM 481 CD GLN A 26 -25.103 -0.246 -11.623 1.00 0.00 C ATOM 482 OE1 GLN A 26 -25.341 -0.534 -10.449 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.080 -0.763 -12.293 1.00 0.00 N ATOM 0 H GLN A 26 -25.276 1.414 -15.296 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.035 2.842 -13.575 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.284 1.605 -13.346 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.933 2.565 -12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.790 1.065 -11.727 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.442 0.222 -13.224 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.920 -0.497 -13.264 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.454 -1.427 -11.836 1.00 0.00 H new ATOM 492 N LEU A 27 -24.477 4.439 -14.816 1.00 0.00 N ATOM 493 CA LEU A 27 -23.855 5.752 -14.950 1.00 0.00 C ATOM 494 C LEU A 27 -24.853 6.775 -15.486 1.00 0.00 C ATOM 495 O LEU A 27 -24.729 7.971 -15.228 1.00 0.00 O ATOM 496 CB LEU A 27 -22.642 5.671 -15.878 1.00 0.00 C ATOM 497 CG LEU A 27 -22.753 6.438 -17.197 1.00 0.00 C ATOM 498 CD1 LEU A 27 -22.449 7.913 -16.983 1.00 0.00 C ATOM 499 CD2 LEU A 27 -21.818 5.844 -18.240 1.00 0.00 C ATOM 0 H LEU A 27 -24.119 3.735 -15.461 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.527 6.075 -13.962 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.771 6.042 -15.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.453 4.622 -16.106 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.776 6.348 -17.563 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -22.533 8.443 -17.932 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -23.159 8.331 -16.270 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.437 8.023 -16.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -21.911 6.402 -19.172 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.790 5.902 -17.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.083 4.801 -18.414 1.00 0.00 H new ATOM 619 N LYS A 35 -18.965 -1.464 -28.634 1.00 0.00 N ATOM 620 CA LYS A 35 -17.962 -2.022 -27.735 1.00 0.00 C ATOM 621 C LYS A 35 -16.871 -1.000 -27.435 1.00 0.00 C ATOM 622 O LYS A 35 -16.372 -0.923 -26.313 1.00 0.00 O ATOM 623 CB LYS A 35 -17.342 -3.281 -28.348 1.00 0.00 C ATOM 624 CG LYS A 35 -17.903 -4.573 -27.780 1.00 0.00 C ATOM 625 CD LYS A 35 -17.531 -4.747 -26.317 1.00 0.00 C ATOM 626 CE LYS A 35 -16.100 -5.239 -26.160 1.00 0.00 C ATOM 627 NZ LYS A 35 -15.922 -6.612 -26.708 1.00 0.00 N ATOM 0 HA LYS A 35 -18.455 -2.285 -26.799 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.503 -3.267 -29.426 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.264 -3.261 -28.187 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.988 -4.576 -27.883 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.526 -5.418 -28.355 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.650 -3.798 -25.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.214 -5.456 -25.849 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.423 -4.554 -26.670 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.827 -5.231 -25.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.088 -7.054 -26.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.766 -7.182 -26.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.788 -6.560 -27.738 1.00 0.00 H new ATOM 641 N GLN A 36 -16.507 -0.216 -28.445 1.00 0.00 N ATOM 642 CA GLN A 36 -15.475 0.802 -28.287 1.00 0.00 C ATOM 643 C GLN A 36 -15.982 1.964 -27.440 1.00 0.00 C ATOM 644 O GLN A 36 -15.303 2.415 -26.517 1.00 0.00 O ATOM 645 CB GLN A 36 -15.021 1.314 -29.656 1.00 0.00 C ATOM 646 CG GLN A 36 -13.877 0.513 -30.256 1.00 0.00 C ATOM 647 CD GLN A 36 -12.567 0.727 -29.523 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.361 -0.023 -28.446 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.749 1.558 -29.919 1.00 0.00 N flip ATOM 0 H GLN A 36 -16.911 -0.266 -29.380 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.626 0.347 -27.776 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.868 1.292 -30.342 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.714 2.356 -29.562 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.131 -0.547 -30.236 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.753 0.792 -31.302 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.948 2.113 -30.751 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.873 1.691 -29.415 1.00 0.00 H new ATOM 658 N ASP A 37 -17.179 2.445 -27.758 1.00 0.00 N ATOM 659 CA ASP A 37 -17.778 3.554 -27.025 1.00 0.00 C ATOM 660 C ASP A 37 -17.864 3.237 -25.536 1.00 0.00 C ATOM 661 O ASP A 37 -17.468 4.045 -24.694 1.00 0.00 O ATOM 662 CB ASP A 37 -19.171 3.864 -27.575 1.00 0.00 C ATOM 663 CG ASP A 37 -19.242 5.225 -28.239 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.363 5.523 -29.075 1.00 0.00 O ATOM 665 OD2 ASP A 37 -20.176 5.992 -27.923 1.00 0.00 O ATOM 0 H ASP A 37 -17.754 2.084 -28.519 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.142 4.429 -27.156 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.453 3.096 -28.296 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.897 3.821 -26.763 1.00 0.00 H new ATOM 670 N LEU A 38 -18.385 2.058 -25.216 1.00 0.00 N ATOM 671 CA LEU A 38 -18.525 1.634 -23.827 1.00 0.00 C ATOM 672 C LEU A 38 -17.161 1.518 -23.153 1.00 0.00 C ATOM 673 O LEU A 38 -16.905 2.158 -22.133 1.00 0.00 O ATOM 674 CB LEU A 38 -19.259 0.294 -23.753 1.00 0.00 C ATOM 675 CG LEU A 38 -20.584 0.213 -24.511 1.00 0.00 C ATOM 676 CD1 LEU A 38 -20.825 -1.202 -25.014 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.734 0.669 -23.625 1.00 0.00 C ATOM 0 H LEU A 38 -18.718 1.378 -25.900 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.107 2.389 -23.299 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.596 -0.482 -24.136 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.448 0.063 -22.705 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.529 0.879 -25.372 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.773 -1.241 -25.551 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.016 -1.493 -25.684 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -20.859 -1.888 -24.168 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.669 0.605 -24.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.791 0.029 -22.744 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.567 1.700 -23.314 1.00 0.00 H new ATOM 689 N ILE A 39 -16.289 0.699 -23.732 1.00 0.00 N ATOM 690 CA ILE A 39 -14.951 0.502 -23.190 1.00 0.00 C ATOM 691 C ILE A 39 -14.251 1.836 -22.954 1.00 0.00 C ATOM 692 O ILE A 39 -13.719 2.087 -21.873 1.00 0.00 O ATOM 693 CB ILE A 39 -14.085 -0.361 -24.127 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.243 -1.843 -23.782 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.625 0.058 -24.034 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.530 -2.716 -24.983 1.00 0.00 C ATOM 0 H ILE A 39 -16.486 0.161 -24.576 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.070 -0.016 -22.239 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.422 -0.208 -25.152 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.332 -2.194 -23.297 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.052 -1.955 -23.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.026 -0.561 -24.702 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.528 1.104 -24.324 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.275 -0.069 -23.010 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.630 -3.753 -24.663 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.457 -2.391 -25.456 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.710 -2.634 -25.697 1.00 0.00 H new ATOM 708 N ASP A 40 -14.257 2.689 -23.973 1.00 0.00 N ATOM 709 CA ASP A 40 -13.625 3.999 -23.876 1.00 0.00 C ATOM 710 C ASP A 40 -14.265 4.831 -22.769 1.00 0.00 C ATOM 711 O ASP A 40 -13.598 5.635 -22.118 1.00 0.00 O ATOM 712 CB ASP A 40 -13.729 4.739 -25.211 1.00 0.00 C ATOM 713 CG ASP A 40 -12.591 5.718 -25.421 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.795 5.914 -24.478 1.00 0.00 O ATOM 715 OD2 ASP A 40 -12.495 6.287 -26.528 1.00 0.00 O ATOM 0 H ASP A 40 -14.692 2.496 -24.875 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.573 3.850 -23.632 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.736 4.014 -26.025 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.677 5.275 -25.253 1.00 0.00 H new ATOM 720 N ARG A 41 -15.562 4.631 -22.561 1.00 0.00 N ATOM 721 CA ARG A 41 -16.293 5.364 -21.534 1.00 0.00 C ATOM 722 C ARG A 41 -15.836 4.947 -20.139 1.00 0.00 C ATOM 723 O ARG A 41 -15.572 5.791 -19.282 1.00 0.00 O ATOM 724 CB ARG A 41 -17.797 5.128 -21.681 1.00 0.00 C ATOM 725 CG ARG A 41 -18.507 6.206 -22.483 1.00 0.00 C ATOM 726 CD ARG A 41 -18.567 7.520 -21.719 1.00 0.00 C ATOM 727 NE ARG A 41 -17.921 8.607 -22.449 1.00 0.00 N ATOM 728 CZ ARG A 41 -17.694 9.809 -21.930 1.00 0.00 C ATOM 729 NH1 ARG A 41 -18.060 10.075 -20.683 1.00 0.00 N ATOM 730 NH2 ARG A 41 -17.100 10.746 -22.657 1.00 0.00 N ATOM 0 H ARG A 41 -16.128 3.968 -23.090 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.085 6.426 -21.664 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.960 4.163 -22.161 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.246 5.070 -20.689 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.989 6.358 -23.430 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.518 5.877 -22.722 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.608 7.781 -21.527 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.085 7.398 -20.749 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.628 8.434 -23.411 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.516 9.356 -20.121 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.885 10.998 -20.286 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.817 10.544 -23.616 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.926 11.668 -22.257 1.00 0.00 H new ATOM 744 N VAL A 42 -15.745 3.639 -19.918 1.00 0.00 N ATOM 745 CA VAL A 42 -15.319 3.110 -18.628 1.00 0.00 C ATOM 746 C VAL A 42 -13.924 3.603 -18.265 1.00 0.00 C ATOM 747 O VAL A 42 -13.726 4.226 -17.220 1.00 0.00 O ATOM 748 CB VAL A 42 -15.324 1.569 -18.625 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.623 1.036 -17.385 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.748 1.041 -18.711 1.00 0.00 C ATOM 0 H VAL A 42 -15.961 2.927 -20.616 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.032 3.471 -17.887 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.778 1.219 -19.501 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.636 -0.054 -17.400 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.591 1.386 -17.372 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.139 1.393 -16.494 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.733 -0.049 -18.708 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.321 1.398 -17.855 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.212 1.395 -19.632 1.00 0.00 H new ATOM 760 N LEU A 43 -12.958 3.323 -19.133 1.00 0.00 N ATOM 761 CA LEU A 43 -11.579 3.739 -18.904 1.00 0.00 C ATOM 762 C LEU A 43 -11.488 5.252 -18.731 1.00 0.00 C ATOM 763 O LEU A 43 -10.705 5.748 -17.922 1.00 0.00 O ATOM 764 CB LEU A 43 -10.691 3.292 -20.067 1.00 0.00 C ATOM 765 CG LEU A 43 -10.857 1.841 -20.519 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.698 1.425 -21.413 1.00 0.00 C ATOM 767 CD2 LEU A 43 -10.963 0.916 -19.315 1.00 0.00 C ATOM 0 H LEU A 43 -13.104 2.809 -20.002 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.230 3.266 -17.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.889 3.942 -20.919 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.650 3.446 -19.783 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.780 1.763 -21.094 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.833 0.389 -21.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.668 2.068 -22.293 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.762 1.519 -20.863 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.081 -0.113 -19.656 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.058 0.998 -18.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.826 1.200 -18.713 1.00 0.00 H new ATOM 779 N ALA A 44 -12.296 5.979 -19.496 1.00 0.00 N ATOM 780 CA ALA A 44 -12.309 7.435 -19.425 1.00 0.00 C ATOM 781 C ALA A 44 -12.856 7.913 -18.085 1.00 0.00 C ATOM 782 O ALA A 44 -12.510 8.997 -17.612 1.00 0.00 O ATOM 783 CB ALA A 44 -13.131 8.011 -20.569 1.00 0.00 C ATOM 0 H ALA A 44 -12.950 5.584 -20.172 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.282 7.789 -19.516 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.133 9.099 -20.504 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.695 7.705 -21.520 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.155 7.642 -20.503 1.00 0.00 H new ATOM 789 N LEU A 45 -13.712 7.100 -17.476 1.00 0.00 N ATOM 790 CA LEU A 45 -14.308 7.441 -16.189 1.00 0.00 C ATOM 791 C LEU A 45 -13.322 7.199 -15.051 1.00 0.00 C ATOM 792 O LEU A 45 -13.172 8.033 -14.157 1.00 0.00 O ATOM 793 CB LEU A 45 -15.579 6.621 -15.960 1.00 0.00 C ATOM 794 CG LEU A 45 -15.644 5.835 -14.650 1.00 0.00 C ATOM 795 CD1 LEU A 45 -15.921 6.767 -13.481 1.00 0.00 C ATOM 796 CD2 LEU A 45 -16.707 4.749 -14.731 1.00 0.00 C ATOM 0 H LEU A 45 -14.009 6.200 -17.853 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.564 8.500 -16.205 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.434 7.296 -15.998 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.689 5.920 -16.787 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.677 5.358 -14.487 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -15.964 6.190 -12.558 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.124 7.508 -13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.874 7.273 -13.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.739 4.200 -13.790 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.679 5.205 -14.918 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.465 4.063 -15.543 1.00 0.00 H new ATOM 808 N LEU A 46 -12.649 6.055 -15.091 1.00 0.00 N ATOM 809 CA LEU A 46 -11.674 5.704 -14.064 1.00 0.00 C ATOM 810 C LEU A 46 -10.356 6.437 -14.292 1.00 0.00 C ATOM 811 O LEU A 46 -9.482 6.452 -13.423 1.00 0.00 O ATOM 812 CB LEU A 46 -11.435 4.193 -14.055 1.00 0.00 C ATOM 813 CG LEU A 46 -12.672 3.316 -14.249 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.272 1.861 -14.434 1.00 0.00 C ATOM 815 CD2 LEU A 46 -13.621 3.465 -13.068 1.00 0.00 C ATOM 0 H LEU A 46 -12.760 5.354 -15.824 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.076 6.008 -13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.718 3.954 -14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.969 3.925 -13.107 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.190 3.645 -15.150 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.166 1.252 -14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.632 1.768 -15.312 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.731 1.518 -13.553 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.496 2.834 -13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.113 3.163 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.935 4.505 -12.982 1.00 0.00 H new ATOM 827 N THR A 47 -10.219 7.048 -15.465 1.00 0.00 N ATOM 828 CA THR A 47 -9.008 7.785 -15.806 1.00 0.00 C ATOM 829 C THR A 47 -9.254 9.289 -15.779 1.00 0.00 C ATOM 830 O THR A 47 -8.716 10.000 -14.931 1.00 0.00 O ATOM 831 CB THR A 47 -8.482 7.387 -17.198 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.216 5.980 -17.237 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.216 8.158 -17.539 1.00 0.00 C ATOM 0 H THR A 47 -10.932 7.047 -16.195 1.00 0.00 H new ATOM 0 HA THR A 47 -8.260 7.529 -15.056 1.00 0.00 H new ATOM 0 HB THR A 47 -9.247 7.632 -17.935 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.027 5.501 -17.507 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.863 7.860 -18.526 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.429 9.227 -17.537 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.447 7.940 -16.798 1.00 0.00 H new ATOM 841 N ASP A 48 -10.071 9.767 -16.712 1.00 0.00 N ATOM 842 CA ASP A 48 -10.389 11.187 -16.794 1.00 0.00 C ATOM 843 C ASP A 48 -11.291 11.610 -15.638 1.00 0.00 C ATOM 844 O ASP A 48 -11.492 12.800 -15.399 1.00 0.00 O ATOM 845 CB ASP A 48 -11.068 11.503 -18.128 1.00 0.00 C ATOM 846 CG ASP A 48 -10.193 12.341 -19.039 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.564 13.298 -18.541 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.137 12.040 -20.250 1.00 0.00 O ATOM 0 H ASP A 48 -10.525 9.191 -17.422 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.456 11.747 -16.728 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.324 10.571 -18.632 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.003 12.031 -17.940 1.00 0.00 H new ATOM 853 N GLU A 49 -11.830 10.626 -14.925 1.00 0.00 N ATOM 854 CA GLU A 49 -12.711 10.897 -13.795 1.00 0.00 C ATOM 855 C GLU A 49 -12.296 10.081 -12.574 1.00 0.00 C ATOM 856 O GLU A 49 -13.110 9.810 -11.691 1.00 0.00 O ATOM 857 CB GLU A 49 -14.162 10.581 -14.164 1.00 0.00 C ATOM 858 CG GLU A 49 -15.041 11.814 -14.290 1.00 0.00 C ATOM 859 CD GLU A 49 -16.471 11.476 -14.661 1.00 0.00 C ATOM 860 OE1 GLU A 49 -17.167 10.848 -13.835 1.00 0.00 O ATOM 861 OE2 GLU A 49 -16.896 11.840 -15.778 1.00 0.00 O ATOM 0 H GLU A 49 -11.672 9.635 -15.110 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.629 11.956 -13.548 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.177 10.036 -15.108 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.585 9.920 -13.407 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.034 12.359 -13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.621 12.479 -15.045 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.318 5.067 -10.607 1.00 0.00 N ATOM 1077 CA LEU A 63 -20.475 4.973 -11.794 1.00 0.00 C ATOM 1078 C LEU A 63 -19.007 5.187 -11.437 1.00 0.00 C ATOM 1079 O LEU A 63 -18.166 5.386 -12.314 1.00 0.00 O ATOM 1080 CB LEU A 63 -20.913 6.002 -12.837 1.00 0.00 C ATOM 1081 CG LEU A 63 -21.420 7.337 -12.292 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -20.400 7.949 -11.343 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -21.732 8.296 -13.432 1.00 0.00 C ATOM 0 HA LEU A 63 -20.587 3.972 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -20.070 6.200 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -21.700 5.559 -13.447 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.339 7.154 -11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -20.779 8.899 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.226 7.270 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -19.464 8.117 -11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -22.092 9.241 -13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -20.829 8.473 -14.016 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -22.499 7.862 -14.073 1.00 0.00 H new ATOM 1095 N THR A 64 -18.706 5.143 -10.143 1.00 0.00 N ATOM 1096 CA THR A 64 -17.340 5.331 -9.670 1.00 0.00 C ATOM 1097 C THR A 64 -16.600 4.001 -9.584 1.00 0.00 C ATOM 1098 O THR A 64 -17.147 2.951 -9.923 1.00 0.00 O ATOM 1099 CB THR A 64 -17.313 6.010 -8.287 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.649 6.266 -7.841 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.532 7.315 -8.341 1.00 0.00 C ATOM 0 H THR A 64 -19.390 4.979 -9.404 1.00 0.00 H new ATOM 0 HA THR A 64 -16.841 5.976 -10.394 1.00 0.00 H new ATOM 0 HB THR A 64 -16.819 5.338 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.623 6.696 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.526 7.777 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.507 7.113 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.002 7.991 -9.055 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.353 4.051 -9.127 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.537 2.850 -8.995 1.00 0.00 C ATOM 1111 C LYS A 65 -15.299 1.754 -8.257 1.00 0.00 C ATOM 1112 O LYS A 65 -15.093 0.567 -8.507 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.238 3.171 -8.253 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.437 4.042 -7.025 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.223 4.005 -6.112 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.628 3.992 -4.646 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.478 5.334 -4.017 1.00 0.00 N ATOM 0 H LYS A 65 -14.885 4.911 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.297 2.491 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.761 2.238 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.554 3.673 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.630 5.069 -7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.316 3.704 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.627 3.120 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.592 4.872 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.664 3.664 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.017 3.268 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.764 5.283 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.485 5.637 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.080 6.020 -4.515 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.180 2.160 -7.348 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.973 1.211 -6.575 1.00 0.00 C ATOM 1133 C GLU A 66 -17.980 0.490 -7.466 1.00 0.00 C ATOM 1134 O GLU A 66 -18.139 -0.727 -7.382 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.703 1.930 -5.438 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.810 2.856 -4.630 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.584 3.667 -3.609 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.353 3.065 -2.831 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.419 4.905 -3.588 1.00 0.00 O ATOM 0 H GLU A 66 -16.363 3.139 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.295 0.470 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.528 2.508 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.140 1.187 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.049 2.266 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.288 3.533 -5.306 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.658 1.251 -8.319 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.648 0.686 -9.227 1.00 0.00 C ATOM 1148 C ALA A 67 -18.995 -0.248 -10.239 1.00 0.00 C ATOM 1149 O ALA A 67 -19.389 -1.406 -10.376 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.404 1.796 -9.941 1.00 0.00 C ATOM 0 H ALA A 67 -18.539 2.261 -8.400 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.354 0.102 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.140 1.359 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.911 2.421 -9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.703 2.404 -10.513 1.00 0.00 H new ATOM 1156 N VAL A 68 -17.993 0.263 -10.949 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.285 -0.526 -11.950 1.00 0.00 C ATOM 1158 C VAL A 68 -16.704 -1.796 -11.338 1.00 0.00 C ATOM 1159 O VAL A 68 -16.796 -2.876 -11.921 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.147 0.283 -12.600 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.454 -0.539 -13.676 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.682 1.586 -13.175 1.00 0.00 C ATOM 0 H VAL A 68 -17.654 1.220 -10.849 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.014 -0.794 -12.715 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.412 0.525 -11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.653 0.049 -14.124 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.036 -1.442 -13.231 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.176 -0.814 -14.445 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.865 2.145 -13.630 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.437 1.368 -13.930 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.128 2.180 -12.377 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.107 -1.659 -10.158 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.514 -2.796 -9.466 1.00 0.00 C ATOM 1174 C ALA A 69 -16.589 -3.707 -8.884 1.00 0.00 C ATOM 1175 O ALA A 69 -16.367 -4.902 -8.690 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.577 -2.314 -8.368 1.00 0.00 C ATOM 0 H ALA A 69 -16.022 -0.772 -9.662 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.941 -3.373 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.141 -3.173 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.783 -1.710 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.136 -1.713 -7.651 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.756 -3.134 -8.606 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.868 -3.894 -8.047 1.00 0.00 C ATOM 1184 C LYS A 70 -19.374 -4.931 -9.044 1.00 0.00 C ATOM 1185 O LYS A 70 -19.553 -6.100 -8.701 1.00 0.00 O ATOM 1186 CB LYS A 70 -20.007 -2.953 -7.650 1.00 0.00 C ATOM 1187 CG LYS A 70 -21.256 -3.676 -7.176 1.00 0.00 C ATOM 1188 CD LYS A 70 -22.488 -3.220 -7.940 1.00 0.00 C ATOM 1189 CE LYS A 70 -23.319 -2.241 -7.124 1.00 0.00 C ATOM 1190 NZ LYS A 70 -23.832 -1.120 -7.959 1.00 0.00 N ATOM 0 H LYS A 70 -17.956 -2.146 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.510 -4.415 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.659 -2.289 -6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.263 -2.325 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.125 -4.751 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -21.400 -3.496 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.184 -2.750 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.096 -4.086 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -24.157 -2.768 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.714 -1.841 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.488 -0.541 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.036 -0.531 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.331 -1.504 -8.787 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.603 -4.496 -10.279 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.087 -5.388 -11.325 1.00 0.00 C ATOM 1206 C ILE A 71 -18.972 -6.296 -11.832 1.00 0.00 C ATOM 1207 O ILE A 71 -19.186 -7.483 -12.076 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.670 -4.598 -12.512 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.520 -3.430 -12.008 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.495 -5.515 -13.404 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.677 -3.858 -11.134 1.00 0.00 C ATOM 0 H ILE A 71 -19.461 -3.532 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.875 -5.997 -10.882 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.846 -4.195 -13.101 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.885 -2.745 -11.446 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.907 -2.877 -12.864 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.900 -4.943 -14.238 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.862 -6.316 -13.787 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.314 -5.944 -12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.235 -2.979 -10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.334 -4.519 -11.699 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.297 -4.385 -10.259 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.779 -5.730 -11.985 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.628 -6.490 -12.460 1.00 0.00 C ATOM 1225 C VAL A 72 -16.269 -7.608 -11.488 1.00 0.00 C ATOM 1226 O VAL A 72 -15.959 -8.726 -11.899 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.399 -5.582 -12.658 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.120 -6.404 -12.644 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.523 -4.794 -13.953 1.00 0.00 C ATOM 0 H VAL A 72 -17.584 -4.749 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.909 -6.923 -13.420 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.355 -4.873 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.263 -5.746 -12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.029 -6.919 -11.687 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.150 -7.138 -13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.647 -4.158 -14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.592 -5.484 -14.794 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.419 -4.174 -13.917 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.313 -7.298 -10.197 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.993 -8.278 -9.164 1.00 0.00 C ATOM 1241 C ASP A 73 -17.106 -9.313 -9.035 1.00 0.00 C ATOM 1242 O ASP A 73 -16.849 -10.517 -9.027 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.769 -7.580 -7.822 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.508 -6.739 -7.810 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.542 -7.107 -8.510 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.488 -5.711 -7.101 1.00 0.00 O ATOM 0 H ASP A 73 -16.567 -6.377 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.076 -8.791 -9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.627 -6.946 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.711 -8.329 -7.032 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.342 -8.836 -8.932 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.494 -9.720 -8.802 1.00 0.00 C ATOM 1253 C ASP A 74 -19.617 -10.634 -10.017 1.00 0.00 C ATOM 1254 O ASP A 74 -19.945 -11.814 -9.890 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.775 -8.902 -8.632 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.013 -8.491 -7.192 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -21.175 -9.388 -6.338 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.035 -7.273 -6.920 1.00 0.00 O ATOM 0 H ASP A 74 -18.571 -7.842 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.348 -10.339 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.719 -8.010 -9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.625 -9.486 -8.985 1.00 0.00 H new ATOM 1263 N THR A 75 -19.354 -10.081 -11.197 1.00 0.00 N ATOM 1264 CA THR A 75 -19.437 -10.845 -12.435 1.00 0.00 C ATOM 1265 C THR A 75 -18.318 -11.876 -12.521 1.00 0.00 C ATOM 1266 O THR A 75 -18.543 -13.019 -12.922 1.00 0.00 O ATOM 1267 CB THR A 75 -19.367 -9.925 -13.669 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.483 -9.027 -13.674 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.360 -10.741 -14.953 1.00 0.00 C ATOM 0 H THR A 75 -19.082 -9.106 -11.321 1.00 0.00 H new ATOM 0 HA THR A 75 -20.399 -11.357 -12.426 1.00 0.00 H new ATOM 0 HB THR A 75 -18.441 -9.353 -13.616 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.371 -8.363 -12.962 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.310 -10.070 -15.810 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.494 -11.402 -14.959 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.271 -11.336 -15.011 1.00 0.00 H new ATOM 1277 N TYR A 76 -17.112 -11.467 -12.143 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.957 -12.356 -12.179 1.00 0.00 C ATOM 1279 C TYR A 76 -16.092 -13.468 -11.142 1.00 0.00 C ATOM 1280 O TYR A 76 -15.970 -14.650 -11.464 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.671 -11.566 -11.931 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.439 -12.214 -12.521 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.452 -12.733 -13.810 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.261 -12.307 -11.790 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -12.329 -13.327 -14.353 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -11.133 -12.898 -12.325 1.00 0.00 C ATOM 1287 CZ TYR A 76 -11.172 -13.407 -13.607 1.00 0.00 C ATOM 1288 OH TYR A 76 -10.051 -13.996 -14.144 1.00 0.00 O ATOM 0 H TYR A 76 -16.909 -10.525 -11.808 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.911 -12.811 -13.169 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.782 -10.566 -12.351 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.529 -11.447 -10.857 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -14.356 -12.671 -14.398 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.227 -11.910 -10.786 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.357 -13.726 -15.356 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.225 -12.961 -11.743 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.322 -13.970 -13.489 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.346 -13.078 -9.897 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.498 -14.040 -8.812 1.00 0.00 C ATOM 1300 C ARG A 77 -17.633 -15.017 -9.106 1.00 0.00 C ATOM 1301 O ARG A 77 -17.486 -16.227 -8.932 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.764 -13.314 -7.492 1.00 0.00 C ATOM 1303 CG ARG A 77 -15.532 -12.645 -6.905 1.00 0.00 C ATOM 1304 CD ARG A 77 -15.856 -11.919 -5.609 1.00 0.00 C ATOM 1305 NE ARG A 77 -17.017 -11.043 -5.748 1.00 0.00 N ATOM 1306 CZ ARG A 77 -17.751 -10.628 -4.722 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -17.446 -11.007 -3.488 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -18.792 -9.832 -4.928 1.00 0.00 N ATOM 0 H ARG A 77 -16.451 -12.103 -9.615 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.569 -14.604 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.535 -12.560 -7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.159 -14.027 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -14.763 -13.395 -6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.122 -11.938 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.045 -12.649 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.993 -11.331 -5.298 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.278 -10.733 -6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -16.646 -11.619 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.011 -10.687 -2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.030 -9.538 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.355 -9.514 -4.139 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.765 -14.483 -9.551 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.926 -15.306 -9.870 1.00 0.00 C ATOM 1324 C LYS A 78 -19.655 -16.177 -11.093 1.00 0.00 C ATOM 1325 O LYS A 78 -20.157 -17.297 -11.192 1.00 0.00 O ATOM 1326 CB LYS A 78 -21.150 -14.422 -10.121 1.00 0.00 C ATOM 1327 CG LYS A 78 -22.398 -15.204 -10.493 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.630 -15.203 -11.995 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.613 -14.118 -12.406 1.00 0.00 C ATOM 1330 NZ LYS A 78 -24.529 -14.580 -13.485 1.00 0.00 N ATOM 0 H LYS A 78 -18.904 -13.483 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.124 -15.957 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.353 -13.834 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.921 -13.717 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.304 -16.231 -10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -23.263 -14.771 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -21.682 -15.051 -12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.009 -16.176 -12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -24.198 -13.811 -11.539 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.064 -13.240 -12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -25.184 -13.812 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.972 -14.849 -14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -25.072 -15.402 -13.151 1.00 0.00 H new ATOM 1344 N MET A 79 -18.858 -15.657 -12.020 1.00 0.00 N ATOM 1345 CA MET A 79 -18.520 -16.389 -13.235 1.00 0.00 C ATOM 1346 C MET A 79 -17.838 -17.712 -12.900 1.00 0.00 C ATOM 1347 O MET A 79 -18.299 -18.778 -13.308 1.00 0.00 O ATOM 1348 CB MET A 79 -17.609 -15.545 -14.128 1.00 0.00 C ATOM 1349 CG MET A 79 -18.327 -14.923 -15.314 1.00 0.00 C ATOM 1350 SD MET A 79 -17.516 -13.427 -15.911 1.00 0.00 S ATOM 1351 CE MET A 79 -16.083 -14.123 -16.729 1.00 0.00 C ATOM 0 H MET A 79 -18.434 -14.732 -11.953 1.00 0.00 H new ATOM 0 HA MET A 79 -19.445 -16.602 -13.770 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.160 -14.753 -13.529 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.794 -16.169 -14.494 1.00 0.00 H new ATOM 0 HG2 MET A 79 -18.380 -15.651 -16.124 1.00 0.00 H new ATOM 0 HG3 MET A 79 -19.352 -14.687 -15.030 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.830 -13.516 -17.598 1.00 0.00 H new ATOM 0 HE2 MET A 79 -15.240 -14.137 -16.038 1.00 0.00 H new ATOM 0 HE3 MET A 79 -16.306 -15.141 -17.050 1.00 0.00 H new