USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 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 Single : A 1 SER N :NH3+ -167:sc= -0.0197 (180deg=-0.225) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 93:sc= 0.536 USER MOD Single : A 7 SER OG : rot 96:sc= 1.24 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.388 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= -0.0271 (180deg=-0.238) 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= -0.259 F(o=-1.2,f=-0.26) USER MOD Single : A 26 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.95) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0215 (180deg=-0.226) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.347 F(o=-1.1,f=-0.35) USER MOD Single : A 47 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -157:sc= 0.463 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 -109:sc= -1.54 (180deg=-5.86!) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.616 3.677 -9.490 1.00 0.00 N ATOM 64 CA SER A 1 -4.554 3.875 -10.588 1.00 0.00 C ATOM 65 C SER A 1 -4.351 2.821 -11.673 1.00 0.00 C ATOM 66 O SER A 1 -5.301 2.406 -12.336 1.00 0.00 O ATOM 67 CB SER A 1 -4.386 5.274 -11.184 1.00 0.00 C ATOM 68 OG SER A 1 -4.935 5.342 -12.489 1.00 0.00 O ATOM 0 H1 SER A 1 -3.908 4.254 -8.675 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.607 2.673 -9.218 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.663 3.963 -9.792 1.00 0.00 H new ATOM 0 HA SER A 1 -5.565 3.775 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.874 6.007 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.328 5.534 -11.217 1.00 0.00 H new ATOM 0 HG SER A 1 -4.816 6.246 -12.847 1.00 0.00 H new ATOM 74 N ALA A 2 -3.105 2.391 -11.846 1.00 0.00 N ATOM 75 CA ALA A 2 -2.776 1.385 -12.848 1.00 0.00 C ATOM 76 C ALA A 2 -3.382 0.032 -12.486 1.00 0.00 C ATOM 77 O ALA A 2 -3.630 -0.801 -13.358 1.00 0.00 O ATOM 78 CB ALA A 2 -1.267 1.266 -13.001 1.00 0.00 C ATOM 0 H ALA A 2 -2.307 2.724 -11.305 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.202 1.702 -13.800 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.036 0.511 -13.753 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.856 2.226 -13.313 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.826 0.975 -12.047 1.00 0.00 H new ATOM 84 N ASP A 3 -3.616 -0.179 -11.195 1.00 0.00 N ATOM 85 CA ASP A 3 -4.192 -1.431 -10.718 1.00 0.00 C ATOM 86 C ASP A 3 -5.687 -1.490 -11.018 1.00 0.00 C ATOM 87 O ASP A 3 -6.200 -2.513 -11.474 1.00 0.00 O ATOM 88 CB ASP A 3 -3.954 -1.586 -9.215 1.00 0.00 C ATOM 89 CG ASP A 3 -4.456 -2.915 -8.684 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.869 -3.763 -9.503 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.436 -3.107 -7.450 1.00 0.00 O ATOM 0 H ASP A 3 -3.416 0.500 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.702 -2.252 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.888 -1.494 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.453 -0.774 -8.685 1.00 0.00 H new ATOM 96 N LEU A 4 -6.381 -0.387 -10.759 1.00 0.00 N ATOM 97 CA LEU A 4 -7.818 -0.313 -11.000 1.00 0.00 C ATOM 98 C LEU A 4 -8.119 -0.303 -12.495 1.00 0.00 C ATOM 99 O LEU A 4 -9.072 -0.936 -12.952 1.00 0.00 O ATOM 100 CB LEU A 4 -8.402 0.938 -10.342 1.00 0.00 C ATOM 101 CG LEU A 4 -9.918 1.105 -10.444 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.595 0.625 -9.170 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.277 2.557 -10.727 1.00 0.00 C ATOM 0 H LEU A 4 -5.972 0.468 -10.382 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.281 -1.196 -10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.128 0.931 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.929 1.813 -10.788 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.276 0.495 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.674 0.752 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.366 -0.429 -9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.232 1.207 -8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.360 2.657 -10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.905 3.188 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.823 2.867 -11.668 1.00 0.00 H new ATOM 115 N VAL A 5 -7.300 0.418 -13.254 1.00 0.00 N ATOM 116 CA VAL A 5 -7.476 0.508 -14.698 1.00 0.00 C ATOM 117 C VAL A 5 -7.202 -0.833 -15.370 1.00 0.00 C ATOM 118 O VAL A 5 -8.016 -1.324 -16.152 1.00 0.00 O ATOM 119 CB VAL A 5 -6.550 1.576 -15.312 1.00 0.00 C ATOM 120 CG1 VAL A 5 -6.688 1.596 -16.826 1.00 0.00 C ATOM 121 CG2 VAL A 5 -6.853 2.945 -14.722 1.00 0.00 C ATOM 0 H VAL A 5 -6.508 0.949 -12.892 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.513 0.794 -14.873 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.518 1.321 -15.069 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.027 2.356 -17.242 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.417 0.620 -17.229 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.719 1.826 -17.094 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.190 3.688 -15.166 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.889 3.211 -14.933 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.697 2.919 -13.643 1.00 0.00 H new ATOM 131 N SER A 6 -6.051 -1.420 -15.059 1.00 0.00 N ATOM 132 CA SER A 6 -5.668 -2.704 -15.635 1.00 0.00 C ATOM 133 C SER A 6 -6.635 -3.802 -15.206 1.00 0.00 C ATOM 134 O SER A 6 -6.952 -4.704 -15.983 1.00 0.00 O ATOM 135 CB SER A 6 -4.243 -3.070 -15.215 1.00 0.00 C ATOM 136 OG SER A 6 -3.298 -2.187 -15.794 1.00 0.00 O ATOM 0 H SER A 6 -5.368 -1.027 -14.412 1.00 0.00 H new ATOM 0 HA SER A 6 -5.707 -2.614 -16.721 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.160 -3.035 -14.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.023 -4.093 -15.518 1.00 0.00 H new ATOM 0 HG SER A 6 -3.113 -1.452 -15.172 1.00 0.00 H new ATOM 142 N SER A 7 -7.102 -3.720 -13.964 1.00 0.00 N ATOM 143 CA SER A 7 -8.030 -4.709 -13.429 1.00 0.00 C ATOM 144 C SER A 7 -9.418 -4.536 -14.038 1.00 0.00 C ATOM 145 O SER A 7 -10.000 -5.486 -14.563 1.00 0.00 O ATOM 146 CB SER A 7 -8.111 -4.591 -11.906 1.00 0.00 C ATOM 147 OG SER A 7 -6.914 -5.042 -11.295 1.00 0.00 O ATOM 0 H SER A 7 -6.853 -2.979 -13.309 1.00 0.00 H new ATOM 0 HA SER A 7 -7.658 -5.700 -13.691 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.296 -3.554 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.954 -5.175 -11.537 1.00 0.00 H new ATOM 0 HG SER A 7 -6.328 -4.276 -11.118 1.00 0.00 H new ATOM 153 N CYS A 8 -9.942 -3.318 -13.965 1.00 0.00 N ATOM 154 CA CYS A 8 -11.262 -3.019 -14.508 1.00 0.00 C ATOM 155 C CYS A 8 -11.308 -3.293 -16.008 1.00 0.00 C ATOM 156 O CYS A 8 -12.269 -3.871 -16.516 1.00 0.00 O ATOM 157 CB CYS A 8 -11.632 -1.561 -14.232 1.00 0.00 C ATOM 158 SG CYS A 8 -12.115 -1.233 -12.521 1.00 0.00 S ATOM 0 H CYS A 8 -9.473 -2.521 -13.535 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.986 -3.669 -14.016 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.782 -0.927 -14.486 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.452 -1.274 -14.891 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.407 0.027 -12.386 1.00 0.00 H new ATOM 164 N LYS A 9 -10.263 -2.873 -16.713 1.00 0.00 N ATOM 165 CA LYS A 9 -10.182 -3.072 -18.155 1.00 0.00 C ATOM 166 C LYS A 9 -10.070 -4.555 -18.494 1.00 0.00 C ATOM 167 O LYS A 9 -10.863 -5.085 -19.273 1.00 0.00 O ATOM 168 CB LYS A 9 -8.982 -2.315 -18.729 1.00 0.00 C ATOM 169 CG LYS A 9 -8.646 -2.702 -20.158 1.00 0.00 C ATOM 170 CD LYS A 9 -7.327 -3.451 -20.238 1.00 0.00 C ATOM 171 CE LYS A 9 -7.458 -4.725 -21.058 1.00 0.00 C ATOM 172 NZ LYS A 9 -7.413 -4.450 -22.521 1.00 0.00 N ATOM 0 H LYS A 9 -9.460 -2.392 -16.308 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.097 -2.683 -18.602 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.185 -1.245 -18.690 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.112 -2.498 -18.098 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.444 -3.324 -20.564 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.594 -1.806 -20.776 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.568 -2.807 -20.683 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.986 -3.698 -19.233 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.654 -5.412 -20.793 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.396 -5.221 -20.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.505 -5.343 -23.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.195 -3.815 -22.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.507 -3.999 -22.762 1.00 0.00 H new ATOM 186 N ASP A 10 -9.083 -5.220 -17.904 1.00 0.00 N ATOM 187 CA ASP A 10 -8.870 -6.642 -18.142 1.00 0.00 C ATOM 188 C ASP A 10 -10.162 -7.428 -17.935 1.00 0.00 C ATOM 189 O ASP A 10 -10.534 -8.259 -18.763 1.00 0.00 O ATOM 190 CB ASP A 10 -7.779 -7.178 -17.214 1.00 0.00 C ATOM 191 CG ASP A 10 -7.569 -8.672 -17.368 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.105 -9.097 -18.446 1.00 0.00 O ATOM 193 OD2 ASP A 10 -7.871 -9.416 -16.411 1.00 0.00 O ATOM 0 H ASP A 10 -8.418 -4.797 -17.257 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.551 -6.768 -19.177 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.843 -6.659 -17.421 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.044 -6.956 -16.180 1.00 0.00 H new ATOM 198 N LYS A 11 -10.840 -7.159 -16.825 1.00 0.00 N ATOM 199 CA LYS A 11 -12.091 -7.839 -16.509 1.00 0.00 C ATOM 200 C LYS A 11 -13.199 -7.415 -17.467 1.00 0.00 C ATOM 201 O LYS A 11 -13.773 -8.244 -18.174 1.00 0.00 O ATOM 202 CB LYS A 11 -12.507 -7.540 -15.067 1.00 0.00 C ATOM 203 CG LYS A 11 -12.310 -8.712 -14.121 1.00 0.00 C ATOM 204 CD LYS A 11 -11.056 -8.546 -13.280 1.00 0.00 C ATOM 205 CE LYS A 11 -11.316 -7.682 -12.056 1.00 0.00 C ATOM 206 NZ LYS A 11 -12.340 -8.285 -11.159 1.00 0.00 N ATOM 0 H LYS A 11 -10.544 -6.475 -16.129 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.930 -8.911 -16.620 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.933 -6.689 -14.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.557 -7.246 -15.054 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.178 -8.803 -13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.245 -9.637 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.695 -9.525 -12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.269 -8.095 -13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.386 -7.544 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.648 -6.693 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.379 -7.750 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.270 -8.253 -11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.087 -9.273 -10.958 1.00 0.00 H new ATOM 220 N LEU A 12 -13.494 -6.119 -17.487 1.00 0.00 N ATOM 221 CA LEU A 12 -14.532 -5.585 -18.361 1.00 0.00 C ATOM 222 C LEU A 12 -14.373 -6.113 -19.783 1.00 0.00 C ATOM 223 O LEU A 12 -15.352 -6.484 -20.431 1.00 0.00 O ATOM 224 CB LEU A 12 -14.486 -4.056 -18.365 1.00 0.00 C ATOM 225 CG LEU A 12 -15.427 -3.358 -19.347 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.531 -2.625 -18.600 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.653 -2.396 -20.236 1.00 0.00 C ATOM 0 H LEU A 12 -13.029 -5.420 -16.908 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.498 -5.913 -17.978 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.716 -3.703 -17.360 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.465 -3.744 -18.587 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.887 -4.117 -19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.191 -2.134 -19.316 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.104 -3.338 -18.007 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.090 -1.877 -17.941 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.339 -1.908 -20.928 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.165 -1.642 -19.618 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.900 -2.947 -20.799 1.00 0.00 H new ATOM 239 N ALA A 13 -13.134 -6.147 -20.261 1.00 0.00 N ATOM 240 CA ALA A 13 -12.846 -6.635 -21.604 1.00 0.00 C ATOM 241 C ALA A 13 -13.094 -8.136 -21.708 1.00 0.00 C ATOM 242 O ALA A 13 -13.646 -8.616 -22.698 1.00 0.00 O ATOM 243 CB ALA A 13 -11.411 -6.307 -21.988 1.00 0.00 C ATOM 0 H ALA A 13 -12.313 -5.842 -19.738 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.520 -6.133 -22.298 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.210 -6.677 -22.993 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.265 -5.227 -21.963 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.728 -6.781 -21.283 1.00 0.00 H new ATOM 249 N TYR A 14 -12.682 -8.871 -20.681 1.00 0.00 N ATOM 250 CA TYR A 14 -12.857 -10.318 -20.659 1.00 0.00 C ATOM 251 C TYR A 14 -14.324 -10.687 -20.461 1.00 0.00 C ATOM 252 O TYR A 14 -14.731 -11.821 -20.713 1.00 0.00 O ATOM 253 CB TYR A 14 -12.009 -10.939 -19.547 1.00 0.00 C ATOM 254 CG TYR A 14 -12.010 -12.451 -19.557 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.969 -13.157 -20.752 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.050 -13.172 -18.370 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.970 -14.539 -20.766 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.050 -14.554 -18.374 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.011 -15.232 -19.574 1.00 0.00 C ATOM 260 OH TYR A 14 -12.011 -16.608 -19.584 1.00 0.00 O ATOM 0 H TYR A 14 -12.225 -8.489 -19.853 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.529 -10.712 -21.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.983 -10.584 -19.643 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.378 -10.590 -18.582 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.936 -12.617 -21.687 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.082 -12.644 -17.429 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.939 -15.073 -21.704 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.080 -15.100 -17.443 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.041 -16.942 -18.663 1.00 0.00 H new ATOM 270 N PHE A 15 -15.115 -9.719 -20.008 1.00 0.00 N ATOM 271 CA PHE A 15 -16.537 -9.940 -19.775 1.00 0.00 C ATOM 272 C PHE A 15 -17.361 -9.497 -20.981 1.00 0.00 C ATOM 273 O PHE A 15 -17.144 -8.418 -21.531 1.00 0.00 O ATOM 274 CB PHE A 15 -16.994 -9.185 -18.525 1.00 0.00 C ATOM 275 CG PHE A 15 -16.293 -9.622 -17.271 1.00 0.00 C ATOM 276 CD1 PHE A 15 -15.944 -10.950 -17.083 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.983 -8.705 -16.280 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.300 -11.355 -15.930 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.338 -9.104 -15.124 1.00 0.00 C ATOM 280 CZ PHE A 15 -14.996 -10.431 -14.949 1.00 0.00 C ATOM 0 H PHE A 15 -14.795 -8.774 -19.795 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.693 -11.008 -19.623 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.826 -8.118 -18.673 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.068 -9.324 -18.399 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.178 -11.677 -17.847 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.248 -7.666 -16.412 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.034 -12.393 -15.796 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.102 -8.379 -14.359 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.492 -10.745 -14.047 1.00 0.00 H new ATOM 290 N ARG A 16 -18.306 -10.339 -21.386 1.00 0.00 N ATOM 291 CA ARG A 16 -19.161 -10.037 -22.527 1.00 0.00 C ATOM 292 C ARG A 16 -19.821 -8.670 -22.364 1.00 0.00 C ATOM 293 O ARG A 16 -19.696 -8.030 -21.320 1.00 0.00 O ATOM 294 CB ARG A 16 -20.233 -11.116 -22.689 1.00 0.00 C ATOM 295 CG ARG A 16 -20.684 -11.315 -24.127 1.00 0.00 C ATOM 296 CD ARG A 16 -20.868 -12.789 -24.454 1.00 0.00 C ATOM 297 NE ARG A 16 -19.594 -13.454 -24.716 1.00 0.00 N ATOM 298 CZ ARG A 16 -18.896 -13.289 -25.834 1.00 0.00 C ATOM 299 NH1 ARG A 16 -19.345 -12.485 -26.788 1.00 0.00 N ATOM 300 NH2 ARG A 16 -17.745 -13.929 -25.999 1.00 0.00 N ATOM 0 H ARG A 16 -18.499 -11.236 -20.940 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.538 -10.017 -23.421 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.847 -12.060 -22.304 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.097 -10.852 -22.079 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.622 -10.785 -24.292 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.948 -10.880 -24.804 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.372 -13.284 -23.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.515 -12.889 -25.325 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.220 -14.079 -24.002 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.229 -11.991 -26.665 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.807 -12.360 -27.645 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.396 -14.548 -25.267 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.209 -13.802 -26.858 1.00 0.00 H new ATOM 314 N ILE A 17 -20.522 -8.230 -23.404 1.00 0.00 N ATOM 315 CA ILE A 17 -21.201 -6.941 -23.375 1.00 0.00 C ATOM 316 C ILE A 17 -22.044 -6.791 -22.113 1.00 0.00 C ATOM 317 O ILE A 17 -22.310 -5.678 -21.659 1.00 0.00 O ATOM 318 CB ILE A 17 -22.105 -6.753 -24.608 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.334 -7.083 -25.888 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.644 -5.332 -24.659 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.778 -6.273 -27.086 1.00 0.00 C ATOM 0 H ILE A 17 -20.634 -8.747 -24.276 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.425 -6.176 -23.383 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.949 -7.438 -24.528 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.271 -6.911 -25.717 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.454 -8.143 -26.112 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.281 -5.216 -25.536 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.225 -5.131 -23.759 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.813 -4.629 -24.718 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.189 -6.559 -27.957 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.833 -6.463 -27.283 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.632 -5.212 -26.882 1.00 0.00 H new ATOM 333 N LYS A 18 -22.462 -7.920 -21.550 1.00 0.00 N ATOM 334 CA LYS A 18 -23.272 -7.916 -20.338 1.00 0.00 C ATOM 335 C LYS A 18 -22.669 -6.996 -19.282 1.00 0.00 C ATOM 336 O LYS A 18 -23.359 -6.148 -18.717 1.00 0.00 O ATOM 337 CB LYS A 18 -23.398 -9.336 -19.780 1.00 0.00 C ATOM 338 CG LYS A 18 -24.822 -9.865 -19.780 1.00 0.00 C ATOM 339 CD LYS A 18 -25.621 -9.316 -18.610 1.00 0.00 C ATOM 340 CE LYS A 18 -26.826 -8.517 -19.085 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.990 -9.396 -19.387 1.00 0.00 N ATOM 0 H LYS A 18 -22.253 -8.850 -21.914 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.263 -7.543 -20.595 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.771 -10.006 -20.368 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.013 -9.352 -18.760 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.312 -9.594 -20.715 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.807 -10.954 -19.732 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.955 -10.139 -17.978 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.981 -8.682 -17.996 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.106 -7.793 -18.320 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.558 -7.950 -19.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.790 -8.814 -19.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.731 -10.070 -20.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.263 -9.918 -18.530 1.00 0.00 H new ATOM 355 N GLU A 19 -21.376 -7.168 -19.022 1.00 0.00 N ATOM 356 CA GLU A 19 -20.681 -6.351 -18.035 1.00 0.00 C ATOM 357 C GLU A 19 -20.804 -4.868 -18.371 1.00 0.00 C ATOM 358 O GLU A 19 -21.256 -4.068 -17.550 1.00 0.00 O ATOM 359 CB GLU A 19 -19.205 -6.747 -17.960 1.00 0.00 C ATOM 360 CG GLU A 19 -18.365 -5.809 -17.110 1.00 0.00 C ATOM 361 CD GLU A 19 -18.789 -5.804 -15.654 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.417 -6.791 -15.217 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.493 -4.814 -14.953 1.00 0.00 O ATOM 0 H GLU A 19 -20.790 -7.865 -19.481 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.147 -6.526 -17.065 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.129 -7.756 -17.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.794 -6.776 -18.969 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.318 -6.103 -17.179 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.439 -4.798 -17.510 1.00 0.00 H new ATOM 370 N LEU A 20 -20.400 -4.507 -19.584 1.00 0.00 N ATOM 371 CA LEU A 20 -20.464 -3.120 -20.031 1.00 0.00 C ATOM 372 C LEU A 20 -21.899 -2.605 -20.004 1.00 0.00 C ATOM 373 O LEU A 20 -22.141 -1.418 -19.784 1.00 0.00 O ATOM 374 CB LEU A 20 -19.890 -2.991 -21.443 1.00 0.00 C ATOM 375 CG LEU A 20 -18.438 -3.435 -21.620 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.373 -4.904 -22.009 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.740 -2.575 -22.664 1.00 0.00 C ATOM 0 H LEU A 20 -20.025 -5.156 -20.276 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.868 -2.516 -19.347 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.513 -3.574 -22.121 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.971 -1.949 -21.753 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.921 -3.308 -20.669 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.332 -5.202 -22.131 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.835 -5.508 -21.228 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.906 -5.056 -22.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.707 -2.906 -22.777 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.257 -2.670 -23.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.754 -1.533 -22.346 1.00 0.00 H new ATOM 389 N LYS A 21 -22.850 -3.506 -20.228 1.00 0.00 N ATOM 390 CA LYS A 21 -24.263 -3.145 -20.226 1.00 0.00 C ATOM 391 C LYS A 21 -24.702 -2.673 -18.844 1.00 0.00 C ATOM 392 O LYS A 21 -25.354 -1.637 -18.710 1.00 0.00 O ATOM 393 CB LYS A 21 -25.115 -4.338 -20.664 1.00 0.00 C ATOM 394 CG LYS A 21 -26.484 -3.946 -21.192 1.00 0.00 C ATOM 395 CD LYS A 21 -26.484 -3.825 -22.707 1.00 0.00 C ATOM 396 CE LYS A 21 -27.504 -2.804 -23.185 1.00 0.00 C ATOM 397 NZ LYS A 21 -27.086 -2.157 -24.460 1.00 0.00 N ATOM 0 H LYS A 21 -22.668 -4.492 -20.413 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.405 -2.326 -20.932 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.581 -4.891 -21.437 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.241 -5.014 -19.818 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.220 -4.690 -20.886 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.787 -2.997 -20.750 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.490 -3.536 -23.050 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.704 -4.796 -23.150 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.468 -3.292 -23.325 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.641 -2.041 -22.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.808 -1.468 -24.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.178 -1.669 -24.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.980 -2.882 -25.199 1.00 0.00 H new ATOM 411 N ASP A 22 -24.339 -3.437 -17.820 1.00 0.00 N ATOM 412 CA ASP A 22 -24.694 -3.095 -16.447 1.00 0.00 C ATOM 413 C ASP A 22 -24.059 -1.770 -16.036 1.00 0.00 C ATOM 414 O ASP A 22 -24.691 -0.947 -15.373 1.00 0.00 O ATOM 415 CB ASP A 22 -24.252 -4.205 -15.492 1.00 0.00 C ATOM 416 CG ASP A 22 -24.916 -5.533 -15.801 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.098 -5.525 -16.201 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.253 -6.579 -15.641 1.00 0.00 O ATOM 0 H ASP A 22 -23.799 -4.297 -17.914 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.778 -2.990 -16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.170 -4.321 -15.550 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.487 -3.914 -14.468 1.00 0.00 H new ATOM 423 N ILE A 23 -22.806 -1.572 -16.433 1.00 0.00 N ATOM 424 CA ILE A 23 -22.086 -0.348 -16.105 1.00 0.00 C ATOM 425 C ILE A 23 -22.728 0.863 -16.774 1.00 0.00 C ATOM 426 O ILE A 23 -23.128 1.817 -16.104 1.00 0.00 O ATOM 427 CB ILE A 23 -20.609 -0.432 -16.531 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.919 -1.605 -15.831 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.892 0.873 -16.220 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.467 -1.770 -16.218 1.00 0.00 C ATOM 0 H ILE A 23 -22.269 -2.243 -16.982 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.137 -0.232 -15.022 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.566 -0.599 -17.607 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.985 -1.464 -14.752 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.456 -2.524 -16.066 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.849 0.797 -16.527 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.371 1.689 -16.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.941 1.069 -15.149 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.042 -2.620 -15.684 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.394 -1.943 -17.292 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.916 -0.866 -15.958 1.00 0.00 H new ATOM 442 N LEU A 24 -22.827 0.818 -18.098 1.00 0.00 N ATOM 443 CA LEU A 24 -23.423 1.911 -18.858 1.00 0.00 C ATOM 444 C LEU A 24 -24.866 2.150 -18.428 1.00 0.00 C ATOM 445 O LEU A 24 -25.376 3.266 -18.523 1.00 0.00 O ATOM 446 CB LEU A 24 -23.369 1.605 -20.356 1.00 0.00 C ATOM 447 CG LEU A 24 -24.713 1.577 -21.084 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.523 1.859 -22.566 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.404 0.237 -20.878 1.00 0.00 C ATOM 0 H LEU A 24 -22.502 0.036 -18.667 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.849 2.816 -18.657 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.734 2.350 -20.836 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.885 0.638 -20.492 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.348 2.358 -20.665 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.490 1.835 -23.068 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -24.072 2.843 -22.694 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.870 1.101 -23.000 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.359 0.236 -21.403 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.773 -0.561 -21.269 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.575 0.076 -19.814 1.00 0.00 H new ATOM 461 N ASN A 25 -25.519 1.094 -17.953 1.00 0.00 N ATOM 462 CA ASN A 25 -26.904 1.190 -17.506 1.00 0.00 C ATOM 463 C ASN A 25 -27.004 1.994 -16.213 1.00 0.00 C ATOM 464 O ASN A 25 -27.902 2.820 -16.052 1.00 0.00 O ATOM 465 CB ASN A 25 -27.492 -0.207 -17.298 1.00 0.00 C ATOM 466 CG ASN A 25 -28.543 -0.235 -16.204 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.126 -0.586 -14.993 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.715 0.055 -16.446 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.112 0.163 -17.868 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.474 1.706 -18.278 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.934 -0.555 -18.232 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.691 -0.902 -17.046 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.990 0.319 -17.392 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.411 0.031 -15.700 1.00 0.00 H new ATOM 475 N GLN A 26 -26.076 1.745 -15.295 1.00 0.00 N ATOM 476 CA GLN A 26 -26.060 2.445 -14.016 1.00 0.00 C ATOM 477 C GLN A 26 -25.465 3.841 -14.167 1.00 0.00 C ATOM 478 O GLN A 26 -25.682 4.715 -13.326 1.00 0.00 O ATOM 479 CB GLN A 26 -25.262 1.647 -12.983 1.00 0.00 C ATOM 480 CG GLN A 26 -26.018 0.454 -12.420 1.00 0.00 C ATOM 481 CD GLN A 26 -25.095 -0.617 -11.876 1.00 0.00 C ATOM 482 OE1 GLN A 26 -25.246 -1.065 -10.739 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.130 -1.036 -12.687 1.00 0.00 N ATOM 0 H GLN A 26 -25.326 1.064 -15.413 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.090 2.544 -13.672 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.337 1.297 -13.442 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.981 2.308 -12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.684 0.792 -11.626 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.646 0.025 -13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.041 -0.638 -13.622 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.478 -1.756 -12.375 1.00 0.00 H new ATOM 492 N LEU A 27 -24.713 4.045 -15.243 1.00 0.00 N ATOM 493 CA LEU A 27 -24.086 5.336 -15.505 1.00 0.00 C ATOM 494 C LEU A 27 -25.091 6.321 -16.093 1.00 0.00 C ATOM 495 O LEU A 27 -24.745 7.454 -16.424 1.00 0.00 O ATOM 496 CB LEU A 27 -22.903 5.166 -16.461 1.00 0.00 C ATOM 497 CG LEU A 27 -21.689 4.424 -15.901 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.884 3.792 -17.026 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.818 5.368 -15.084 1.00 0.00 C ATOM 0 H LEU A 27 -24.523 3.333 -15.948 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.726 5.736 -14.557 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -23.251 4.635 -17.347 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.581 6.155 -16.788 1.00 0.00 H new ATOM 0 HG LEU A 27 -22.043 3.629 -15.245 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -20.024 3.268 -16.608 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.511 3.085 -17.569 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.539 4.569 -17.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.959 4.823 -14.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.472 6.184 -15.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.399 5.773 -14.255 1.00 0.00 H new ATOM 619 N LYS A 35 -19.451 -1.871 -28.131 1.00 0.00 N ATOM 620 CA LYS A 35 -18.390 -2.530 -27.379 1.00 0.00 C ATOM 621 C LYS A 35 -17.226 -1.576 -27.128 1.00 0.00 C ATOM 622 O LYS A 35 -16.725 -1.477 -26.009 1.00 0.00 O ATOM 623 CB LYS A 35 -17.896 -3.767 -28.132 1.00 0.00 C ATOM 624 CG LYS A 35 -18.442 -5.073 -27.582 1.00 0.00 C ATOM 625 CD LYS A 35 -17.981 -5.313 -26.154 1.00 0.00 C ATOM 626 CE LYS A 35 -16.464 -5.379 -26.061 1.00 0.00 C ATOM 627 NZ LYS A 35 -15.903 -6.460 -26.918 1.00 0.00 N ATOM 0 HA LYS A 35 -18.799 -2.837 -26.416 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.177 -3.679 -29.182 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.807 -3.794 -28.094 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.531 -5.056 -27.616 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.117 -5.899 -28.214 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.351 -4.514 -25.512 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.410 -6.244 -25.784 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.040 -4.421 -26.361 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.171 -5.548 -25.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.894 -6.586 -26.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.410 -7.349 -26.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.013 -6.201 -27.919 1.00 0.00 H new ATOM 641 N GLN A 36 -16.804 -0.877 -28.176 1.00 0.00 N ATOM 642 CA GLN A 36 -15.701 0.070 -28.068 1.00 0.00 C ATOM 643 C GLN A 36 -16.114 1.299 -27.266 1.00 0.00 C ATOM 644 O GLN A 36 -15.441 1.685 -26.310 1.00 0.00 O ATOM 645 CB GLN A 36 -15.223 0.490 -29.459 1.00 0.00 C ATOM 646 CG GLN A 36 -14.112 -0.387 -30.013 1.00 0.00 C ATOM 647 CD GLN A 36 -12.795 -0.185 -29.291 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.617 -0.883 -28.176 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.946 0.591 -29.731 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.209 -0.948 -29.109 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.882 -0.424 -27.544 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.069 0.468 -30.146 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.873 1.522 -29.417 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.408 -1.433 -29.936 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.978 -0.171 -31.073 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.125 1.108 -30.592 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.064 0.717 -29.234 1.00 0.00 H new ATOM 658 N ASP A 37 -17.225 1.911 -27.661 1.00 0.00 N ATOM 659 CA ASP A 37 -17.730 3.097 -26.979 1.00 0.00 C ATOM 660 C ASP A 37 -17.827 2.858 -25.475 1.00 0.00 C ATOM 661 O ASP A 37 -17.423 3.703 -24.674 1.00 0.00 O ATOM 662 CB ASP A 37 -19.099 3.488 -27.535 1.00 0.00 C ATOM 663 CG ASP A 37 -19.071 4.818 -28.261 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.376 5.739 -27.783 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.745 4.939 -29.306 1.00 0.00 O ATOM 0 H ASP A 37 -17.794 1.605 -28.451 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.029 3.913 -27.155 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.446 2.712 -28.218 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.819 3.539 -26.718 1.00 0.00 H new ATOM 670 N LEU A 38 -18.365 1.703 -25.098 1.00 0.00 N ATOM 671 CA LEU A 38 -18.516 1.353 -23.690 1.00 0.00 C ATOM 672 C LEU A 38 -17.157 1.235 -23.009 1.00 0.00 C ATOM 673 O LEU A 38 -16.899 1.890 -21.999 1.00 0.00 O ATOM 674 CB LEU A 38 -19.285 0.038 -23.551 1.00 0.00 C ATOM 675 CG LEU A 38 -20.771 0.089 -23.907 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.401 -1.288 -23.767 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.496 1.101 -23.032 1.00 0.00 C ATOM 0 H LEU A 38 -18.704 0.993 -25.748 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.078 2.149 -23.202 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.806 -0.709 -24.184 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.190 -0.308 -22.522 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.865 0.405 -24.946 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.459 -1.232 -24.024 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.901 -1.987 -24.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.296 -1.633 -22.739 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.552 1.123 -23.300 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.393 0.816 -21.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.062 2.090 -23.183 1.00 0.00 H new ATOM 689 N ILE A 39 -16.291 0.398 -23.570 1.00 0.00 N ATOM 690 CA ILE A 39 -14.956 0.197 -23.018 1.00 0.00 C ATOM 691 C ILE A 39 -14.246 1.529 -22.799 1.00 0.00 C ATOM 692 O ILE A 39 -13.794 1.828 -21.694 1.00 0.00 O ATOM 693 CB ILE A 39 -14.094 -0.687 -23.938 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.249 -2.161 -23.558 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.634 -0.265 -23.862 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.672 -3.041 -24.713 1.00 0.00 C ATOM 0 H ILE A 39 -16.489 -0.152 -24.406 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.083 -0.306 -22.059 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.436 -0.559 -24.965 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.302 -2.527 -23.161 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.985 -2.246 -22.758 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.037 -0.899 -24.518 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.539 0.774 -24.177 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.279 -0.367 -22.837 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.762 -4.072 -24.371 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.634 -2.701 -25.097 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.925 -2.986 -25.505 1.00 0.00 H new ATOM 708 N ASP A 40 -14.153 2.324 -23.859 1.00 0.00 N ATOM 709 CA ASP A 40 -13.500 3.626 -23.783 1.00 0.00 C ATOM 710 C ASP A 40 -14.192 4.522 -22.760 1.00 0.00 C ATOM 711 O ASP A 40 -13.553 5.355 -22.117 1.00 0.00 O ATOM 712 CB ASP A 40 -13.501 4.302 -25.155 1.00 0.00 C ATOM 713 CG ASP A 40 -12.142 4.863 -25.525 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.373 5.212 -24.604 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.847 4.953 -26.735 1.00 0.00 O ATOM 0 H ASP A 40 -14.521 2.090 -24.781 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.469 3.470 -23.465 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.812 3.581 -25.912 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.237 5.106 -25.160 1.00 0.00 H new ATOM 720 N ARG A 41 -15.501 4.345 -22.615 1.00 0.00 N ATOM 721 CA ARG A 41 -16.280 5.138 -21.672 1.00 0.00 C ATOM 722 C ARG A 41 -15.865 4.837 -20.235 1.00 0.00 C ATOM 723 O ARG A 41 -15.592 5.747 -19.452 1.00 0.00 O ATOM 724 CB ARG A 41 -17.773 4.862 -21.852 1.00 0.00 C ATOM 725 CG ARG A 41 -18.502 5.939 -22.638 1.00 0.00 C ATOM 726 CD ARG A 41 -18.536 7.256 -21.879 1.00 0.00 C ATOM 727 NE ARG A 41 -17.699 8.274 -22.510 1.00 0.00 N ATOM 728 CZ ARG A 41 -17.592 9.519 -22.061 1.00 0.00 C ATOM 729 NH1 ARG A 41 -18.264 9.899 -20.983 1.00 0.00 N ATOM 730 NH2 ARG A 41 -16.810 10.388 -22.689 1.00 0.00 N ATOM 0 H ARG A 41 -16.045 3.659 -23.139 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.086 6.191 -21.874 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.898 3.906 -22.360 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.237 4.764 -20.870 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.010 6.085 -23.600 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.521 5.612 -22.847 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.563 7.615 -21.823 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.199 7.093 -20.855 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.168 8.014 -23.341 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.865 9.234 -20.496 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.180 10.856 -20.641 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.290 10.100 -23.518 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.729 11.344 -22.343 1.00 0.00 H new ATOM 744 N VAL A 42 -15.820 3.552 -19.895 1.00 0.00 N ATOM 745 CA VAL A 42 -15.438 3.130 -18.552 1.00 0.00 C ATOM 746 C VAL A 42 -14.071 3.685 -18.170 1.00 0.00 C ATOM 747 O VAL A 42 -13.920 4.336 -17.135 1.00 0.00 O ATOM 748 CB VAL A 42 -15.408 1.595 -18.434 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.686 1.171 -17.165 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.821 1.031 -18.467 1.00 0.00 C ATOM 0 H VAL A 42 -16.043 2.786 -20.531 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.191 3.525 -17.870 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.860 1.193 -19.286 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.675 0.083 -17.099 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.662 1.544 -17.187 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.203 1.582 -16.298 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.781 -0.055 -18.383 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.395 1.439 -17.635 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.300 1.305 -19.407 1.00 0.00 H new ATOM 760 N LEU A 43 -13.077 3.425 -19.011 1.00 0.00 N ATOM 761 CA LEU A 43 -11.720 3.899 -18.762 1.00 0.00 C ATOM 762 C LEU A 43 -11.673 5.423 -18.728 1.00 0.00 C ATOM 763 O LEU A 43 -10.850 6.013 -18.030 1.00 0.00 O ATOM 764 CB LEU A 43 -10.769 3.371 -19.838 1.00 0.00 C ATOM 765 CG LEU A 43 -10.961 1.910 -20.246 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.759 1.414 -21.035 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.192 1.040 -19.019 1.00 0.00 C ATOM 0 H LEU A 43 -13.185 2.888 -19.872 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.403 3.523 -17.789 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.877 3.993 -20.727 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.746 3.497 -19.484 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.842 1.843 -20.885 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.913 0.372 -21.317 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.639 2.019 -21.934 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.862 1.495 -20.421 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.327 0.003 -19.328 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.331 1.112 -18.355 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.084 1.381 -18.494 1.00 0.00 H new ATOM 779 N ALA A 44 -12.564 6.054 -19.486 1.00 0.00 N ATOM 780 CA ALA A 44 -12.627 7.509 -19.540 1.00 0.00 C ATOM 781 C ALA A 44 -12.962 8.095 -18.173 1.00 0.00 C ATOM 782 O ALA A 44 -12.249 8.962 -17.665 1.00 0.00 O ATOM 783 CB ALA A 44 -13.651 7.955 -20.573 1.00 0.00 C ATOM 0 H ALA A 44 -13.252 5.580 -20.071 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.645 7.880 -19.834 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.687 9.044 -20.603 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.367 7.575 -21.554 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.633 7.566 -20.303 1.00 0.00 H new ATOM 789 N LEU A 45 -14.051 7.618 -17.581 1.00 0.00 N ATOM 790 CA LEU A 45 -14.481 8.095 -16.271 1.00 0.00 C ATOM 791 C LEU A 45 -13.518 7.636 -15.181 1.00 0.00 C ATOM 792 O LEU A 45 -13.182 8.398 -14.273 1.00 0.00 O ATOM 793 CB LEU A 45 -15.894 7.595 -15.963 1.00 0.00 C ATOM 794 CG LEU A 45 -17.036 8.341 -16.655 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.757 8.481 -18.143 1.00 0.00 C ATOM 796 CD2 LEU A 45 -18.358 7.625 -16.423 1.00 0.00 C ATOM 0 H LEU A 45 -14.653 6.901 -17.987 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.484 9.185 -16.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.954 6.542 -16.240 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.051 7.650 -14.886 1.00 0.00 H new ATOM 0 HG LEU A 45 -17.106 9.340 -16.224 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.580 9.014 -18.619 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.831 9.038 -18.289 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.659 7.491 -18.590 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.159 8.170 -16.922 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.300 6.614 -16.827 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.563 7.578 -15.354 1.00 0.00 H new ATOM 808 N LEU A 46 -13.076 6.387 -15.277 1.00 0.00 N ATOM 809 CA LEU A 46 -12.149 5.826 -14.300 1.00 0.00 C ATOM 810 C LEU A 46 -10.782 6.495 -14.400 1.00 0.00 C ATOM 811 O LEU A 46 -10.008 6.499 -13.442 1.00 0.00 O ATOM 812 CB LEU A 46 -12.008 4.317 -14.509 1.00 0.00 C ATOM 813 CG LEU A 46 -10.611 3.819 -14.880 1.00 0.00 C ATOM 814 CD1 LEU A 46 -9.707 3.803 -13.657 1.00 0.00 C ATOM 815 CD2 LEU A 46 -10.688 2.434 -15.506 1.00 0.00 C ATOM 0 H LEU A 46 -13.344 5.743 -16.021 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.552 6.012 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.321 3.813 -13.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.701 4.013 -15.294 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.185 4.505 -15.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.717 3.446 -13.941 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.626 4.811 -13.251 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.129 3.140 -12.901 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.685 2.095 -15.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.135 1.738 -14.796 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.300 2.476 -16.407 1.00 0.00 H new ATOM 827 N THR A 47 -10.490 7.062 -15.567 1.00 0.00 N ATOM 828 CA THR A 47 -9.218 7.735 -15.793 1.00 0.00 C ATOM 829 C THR A 47 -9.380 9.250 -15.743 1.00 0.00 C ATOM 830 O THR A 47 -9.015 9.890 -14.757 1.00 0.00 O ATOM 831 CB THR A 47 -8.607 7.340 -17.151 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.404 5.924 -17.204 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.284 8.056 -17.377 1.00 0.00 C ATOM 0 H THR A 47 -11.118 7.068 -16.370 1.00 0.00 H new ATOM 0 HA THR A 47 -8.547 7.418 -14.995 1.00 0.00 H new ATOM 0 HB THR A 47 -9.302 7.636 -17.937 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.249 5.480 -17.426 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.871 7.762 -18.342 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.447 9.134 -17.366 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.585 7.786 -16.586 1.00 0.00 H new ATOM 841 N ASP A 48 -9.930 9.817 -16.810 1.00 0.00 N ATOM 842 CA ASP A 48 -10.143 11.258 -16.887 1.00 0.00 C ATOM 843 C ASP A 48 -10.900 11.761 -15.662 1.00 0.00 C ATOM 844 O ASP A 48 -10.811 12.935 -15.305 1.00 0.00 O ATOM 845 CB ASP A 48 -10.912 11.614 -18.160 1.00 0.00 C ATOM 846 CG ASP A 48 -10.058 12.368 -19.160 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.672 13.518 -18.863 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.776 11.809 -20.241 1.00 0.00 O ATOM 0 H ASP A 48 -10.237 9.301 -17.635 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.168 11.744 -16.914 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.287 10.701 -18.622 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.781 12.219 -17.899 1.00 0.00 H new ATOM 853 N GLU A 49 -11.646 10.865 -15.024 1.00 0.00 N ATOM 854 CA GLU A 49 -12.420 11.220 -13.841 1.00 0.00 C ATOM 855 C GLU A 49 -12.018 10.356 -12.648 1.00 0.00 C ATOM 856 O GLU A 49 -12.814 10.130 -11.737 1.00 0.00 O ATOM 857 CB GLU A 49 -13.917 11.062 -14.117 1.00 0.00 C ATOM 858 CG GLU A 49 -14.666 12.382 -14.186 1.00 0.00 C ATOM 859 CD GLU A 49 -16.165 12.212 -14.032 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.710 11.236 -14.589 1.00 0.00 O ATOM 861 OE2 GLU A 49 -16.792 13.054 -13.356 1.00 0.00 O ATOM 0 H GLU A 49 -11.731 9.889 -15.306 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.210 12.262 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.050 10.529 -15.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.359 10.444 -13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.297 13.046 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.455 12.865 -15.140 1.00 0.00 H new ATOM 1076 N LEU A 63 -22.028 5.145 -10.630 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.404 5.708 -11.823 1.00 0.00 C ATOM 1078 C LEU A 63 -19.964 6.123 -11.540 1.00 0.00 C ATOM 1079 O LEU A 63 -19.388 6.940 -12.260 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.205 6.912 -12.321 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.655 7.908 -11.252 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.578 8.956 -11.012 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.964 8.570 -11.656 1.00 0.00 C ATOM 0 HA LEU A 63 -21.396 4.940 -12.596 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.602 7.446 -13.055 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -23.089 6.544 -12.842 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.818 7.364 -10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.916 9.656 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.663 8.467 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -21.383 9.496 -11.939 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -24.269 9.276 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.828 9.101 -12.598 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.735 7.809 -11.776 1.00 0.00 H new ATOM 1095 N THR A 64 -19.385 5.553 -10.487 1.00 0.00 N ATOM 1096 CA THR A 64 -18.012 5.863 -10.109 1.00 0.00 C ATOM 1097 C THR A 64 -17.133 4.618 -10.162 1.00 0.00 C ATOM 1098 O THR A 64 -17.606 3.524 -10.469 1.00 0.00 O ATOM 1099 CB THR A 64 -17.942 6.469 -8.695 1.00 0.00 C ATOM 1100 OG1 THR A 64 -19.004 5.950 -7.886 1.00 0.00 O ATOM 1101 CG2 THR A 64 -18.034 7.986 -8.750 1.00 0.00 C ATOM 0 H THR A 64 -19.846 4.874 -9.881 1.00 0.00 H new ATOM 0 HA THR A 64 -17.643 6.595 -10.828 1.00 0.00 H new ATOM 0 HB THR A 64 -16.983 6.196 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.951 6.339 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.982 8.391 -7.739 1.00 0.00 H new ATOM 0 HG22 THR A 64 -17.207 8.379 -9.341 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.979 8.277 -9.209 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.852 4.792 -9.858 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.906 3.682 -9.868 1.00 0.00 C ATOM 1111 C LYS A 65 -15.427 2.515 -9.035 1.00 0.00 C ATOM 1112 O LYS A 65 -15.169 1.354 -9.349 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.547 4.139 -9.331 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.622 4.795 -7.964 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.620 4.188 -6.997 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.926 2.723 -6.725 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.689 2.363 -5.299 1.00 0.00 N ATOM 0 H LYS A 65 -15.444 5.691 -9.602 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.789 3.346 -10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.880 3.279 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.104 4.841 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.433 5.864 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.629 4.685 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.614 4.281 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.634 4.744 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.964 2.514 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.305 2.097 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.909 1.357 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.693 2.538 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.300 2.942 -4.689 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.163 2.833 -7.975 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.720 1.810 -7.098 1.00 0.00 C ATOM 1133 C GLU A 66 -17.769 0.979 -7.831 1.00 0.00 C ATOM 1134 O GLU A 66 -17.809 -0.245 -7.702 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.340 2.453 -5.856 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.662 2.047 -4.558 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.416 2.525 -3.332 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.289 3.405 -3.479 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.133 2.018 -2.226 1.00 0.00 O ATOM 0 H GLU A 66 -16.387 3.790 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.908 1.151 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.293 3.537 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.395 2.183 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.571 0.961 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.650 2.452 -4.539 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.618 1.653 -8.601 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.666 0.977 -9.355 1.00 0.00 C ATOM 1148 C ALA A 67 -19.073 0.061 -10.420 1.00 0.00 C ATOM 1149 O ALA A 67 -19.397 -1.126 -10.482 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.597 1.997 -9.994 1.00 0.00 C ATOM 0 H ALA A 67 -18.600 2.666 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.239 0.361 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.375 1.479 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.056 2.608 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.028 2.636 -10.670 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.203 0.618 -11.256 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.564 -0.150 -12.318 1.00 0.00 C ATOM 1158 C VAL A 68 -16.840 -1.368 -11.756 1.00 0.00 C ATOM 1159 O VAL A 68 -16.968 -2.475 -12.279 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.561 0.711 -13.108 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.944 -0.092 -14.243 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.238 1.966 -13.638 1.00 0.00 C ATOM 0 H VAL A 68 -17.924 1.598 -11.218 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.356 -0.480 -12.990 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.760 1.015 -12.434 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.238 0.534 -14.789 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.422 -0.957 -13.835 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.730 -0.429 -14.919 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.515 2.563 -14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.060 1.685 -14.297 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.626 2.550 -12.804 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.079 -1.156 -10.687 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.336 -2.237 -10.052 1.00 0.00 C ATOM 1174 C ALA A 69 -16.276 -3.210 -9.349 1.00 0.00 C ATOM 1175 O ALA A 69 -15.970 -4.395 -9.209 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.323 -1.673 -9.067 1.00 0.00 C ATOM 0 H ALA A 69 -15.961 -0.245 -10.243 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.804 -2.785 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.775 -2.491 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.625 -1.024 -9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.842 -1.099 -8.299 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.421 -2.703 -8.906 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.408 -3.527 -8.217 1.00 0.00 C ATOM 1184 C LYS A 70 -18.962 -4.603 -9.145 1.00 0.00 C ATOM 1185 O LYS A 70 -18.988 -5.784 -8.796 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.550 -2.657 -7.689 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.714 -3.455 -7.128 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.115 -2.962 -5.748 1.00 0.00 C ATOM 1189 CE LYS A 70 -20.546 -3.850 -4.651 1.00 0.00 C ATOM 1190 NZ LYS A 70 -20.977 -3.405 -3.297 1.00 0.00 N ATOM 0 H LYS A 70 -17.689 -1.725 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.914 -4.016 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.164 -1.998 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.913 -2.020 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.566 -3.381 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.441 -4.509 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.763 -1.940 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.202 -2.938 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.867 -4.879 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.457 -3.843 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.568 -4.036 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.649 -2.432 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.015 -3.436 -3.235 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.401 -4.188 -10.328 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.952 -5.118 -11.307 1.00 0.00 C ATOM 1206 C ILE A 71 -18.879 -6.066 -11.829 1.00 0.00 C ATOM 1207 O ILE A 71 -19.052 -7.285 -11.816 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.585 -4.372 -12.497 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.461 -3.221 -11.998 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.400 -5.333 -13.351 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.540 -3.657 -11.033 1.00 0.00 C ATOM 0 H ILE A 71 -19.386 -3.215 -10.632 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.724 -5.693 -10.796 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.787 -3.956 -13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.829 -2.478 -11.512 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.926 -2.732 -12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.841 -4.792 -14.188 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.751 -6.122 -13.731 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.192 -5.775 -12.747 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.122 -2.789 -10.721 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.196 -4.377 -11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.081 -4.119 -10.159 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.767 -5.499 -12.287 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.663 -6.294 -12.811 1.00 0.00 C ATOM 1225 C VAL A 72 -16.234 -7.364 -11.813 1.00 0.00 C ATOM 1226 O VAL A 72 -15.968 -8.506 -12.188 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.448 -5.411 -13.153 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.154 -6.107 -12.761 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.447 -5.058 -14.633 1.00 0.00 C ATOM 0 H VAL A 72 -17.607 -4.492 -12.306 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.023 -6.773 -13.722 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.521 -4.485 -12.582 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.307 -5.468 -13.010 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.157 -6.304 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.069 -7.049 -13.302 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.582 -4.434 -14.858 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.399 -5.972 -15.225 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.360 -4.515 -14.878 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.169 -6.987 -10.541 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.774 -7.914 -9.487 1.00 0.00 C ATOM 1241 C ASP A 73 -16.803 -9.030 -9.332 1.00 0.00 C ATOM 1242 O ASP A 73 -16.447 -10.201 -9.195 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.606 -7.172 -8.161 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.299 -6.407 -8.088 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.322 -6.838 -8.735 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.254 -5.376 -7.384 1.00 0.00 O ATOM 0 H ASP A 73 -16.385 -6.045 -10.215 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.820 -8.359 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.437 -6.479 -8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.652 -7.887 -7.339 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.078 -8.660 -9.354 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.159 -9.629 -9.216 1.00 0.00 C ATOM 1253 C ASP A 74 -19.122 -10.649 -10.350 1.00 0.00 C ATOM 1254 O ASP A 74 -19.404 -11.831 -10.148 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.512 -8.917 -9.197 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.994 -8.627 -7.789 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -20.150 -8.299 -6.930 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -22.215 -8.729 -7.547 1.00 0.00 O ATOM 0 H ASP A 74 -18.389 -7.695 -9.466 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.023 -10.157 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.435 -7.982 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.250 -9.532 -9.711 1.00 0.00 H new ATOM 1263 N THR A 75 -18.775 -10.184 -11.546 1.00 0.00 N ATOM 1264 CA THR A 75 -18.703 -11.054 -12.714 1.00 0.00 C ATOM 1265 C THR A 75 -17.556 -12.050 -12.588 1.00 0.00 C ATOM 1266 O THR A 75 -17.714 -13.234 -12.886 1.00 0.00 O ATOM 1267 CB THR A 75 -18.523 -10.241 -14.010 1.00 0.00 C ATOM 1268 OG1 THR A 75 -18.670 -8.844 -13.736 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.537 -10.667 -15.061 1.00 0.00 C ATOM 0 H THR A 75 -18.539 -9.209 -11.732 1.00 0.00 H new ATOM 0 HA THR A 75 -19.647 -11.596 -12.763 1.00 0.00 H new ATOM 0 HB THR A 75 -17.522 -10.431 -14.396 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.925 -8.375 -14.558 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.391 -10.079 -15.967 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.403 -11.724 -15.289 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.545 -10.503 -14.681 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.403 -11.564 -12.144 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.228 -12.412 -11.980 1.00 0.00 C ATOM 1279 C TYR A 76 -15.450 -13.444 -10.879 1.00 0.00 C ATOM 1280 O TYR A 76 -15.269 -14.643 -11.090 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.000 -11.560 -11.656 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.719 -12.088 -12.263 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.685 -12.537 -13.577 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.545 -12.139 -11.522 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.518 -13.021 -14.136 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.373 -12.620 -12.073 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.365 -13.060 -13.380 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.200 -13.541 -13.932 1.00 0.00 O ATOM 0 H TYR A 76 -16.256 -10.587 -11.891 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.059 -12.940 -12.918 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.169 -10.544 -12.012 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.883 -11.503 -10.574 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.586 -12.507 -14.172 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.549 -11.797 -10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.509 -13.367 -15.159 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.468 -12.651 -11.484 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.481 -13.499 -13.267 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.846 -12.968 -9.702 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.093 -13.848 -8.566 1.00 0.00 C ATOM 1300 C ARG A 77 -17.173 -14.873 -8.898 1.00 0.00 C ATOM 1301 O ARG A 77 -17.085 -16.035 -8.500 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.509 -13.031 -7.342 1.00 0.00 C ATOM 1303 CG ARG A 77 -17.883 -12.395 -7.473 1.00 0.00 C ATOM 1304 CD ARG A 77 -18.221 -11.545 -6.258 1.00 0.00 C ATOM 1305 NE ARG A 77 -17.227 -10.499 -6.027 1.00 0.00 N ATOM 1306 CZ ARG A 77 -17.091 -9.856 -4.873 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -17.880 -10.151 -3.849 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -16.163 -8.917 -4.741 1.00 0.00 N ATOM 0 H ARG A 77 -16.002 -11.978 -9.511 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.168 -14.380 -8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.499 -13.677 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.770 -12.248 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.915 -11.778 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.636 -13.174 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.201 -11.089 -6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.287 -12.183 -5.377 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.603 -10.249 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.594 -10.873 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.773 -9.656 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.553 -8.688 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.059 -8.424 -3.854 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.193 -14.436 -9.629 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.291 -15.314 -10.016 1.00 0.00 C ATOM 1324 C LYS A 78 -18.900 -16.180 -11.209 1.00 0.00 C ATOM 1325 O LYS A 78 -19.501 -17.226 -11.451 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.535 -14.490 -10.355 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.728 -15.333 -10.769 1.00 0.00 C ATOM 1328 CD LYS A 78 -21.787 -15.513 -12.277 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.985 -14.794 -12.878 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.385 -15.381 -14.187 1.00 0.00 N ATOM 0 H LYS A 78 -18.282 -13.477 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.515 -15.968 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.809 -13.888 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.293 -13.797 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.670 -16.309 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.647 -14.860 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.870 -15.132 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.841 -16.575 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.825 -14.846 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.746 -13.739 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.205 -14.863 -14.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.592 -15.309 -14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.638 -16.381 -14.056 1.00 0.00 H new ATOM 1344 N MET A 79 -17.890 -15.736 -11.951 1.00 0.00 N ATOM 1345 CA MET A 79 -17.419 -16.473 -13.118 1.00 0.00 C ATOM 1346 C MET A 79 -16.772 -17.791 -12.704 1.00 0.00 C ATOM 1347 O MET A 79 -17.208 -18.864 -13.120 1.00 0.00 O ATOM 1348 CB MET A 79 -16.420 -15.629 -13.912 1.00 0.00 C ATOM 1349 CG MET A 79 -17.033 -14.941 -15.121 1.00 0.00 C ATOM 1350 SD MET A 79 -16.369 -15.556 -16.680 1.00 0.00 S ATOM 1351 CE MET A 79 -14.742 -14.806 -16.676 1.00 0.00 C ATOM 0 H MET A 79 -17.383 -14.871 -11.765 1.00 0.00 H new ATOM 0 HA MET A 79 -18.280 -16.693 -13.749 1.00 0.00 H new ATOM 0 HB2 MET A 79 -15.990 -14.874 -13.254 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.601 -16.267 -14.244 1.00 0.00 H new ATOM 0 HG2 MET A 79 -18.113 -15.086 -15.108 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.855 -13.868 -15.053 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.702 -14.019 -17.429 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.541 -14.379 -15.694 1.00 0.00 H new ATOM 0 HE3 MET A 79 -13.992 -15.563 -16.903 1.00 0.00 H new