USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 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 7 SER OG : rot -86:sc= 0.638 USER MOD Set 1.2: A 11 LYS NZ :NH3+ -169:sc= -0.43 (180deg=-0.436) USER MOD Single : A 1 SER N :NH3+ -176:sc= -0.121 (180deg=-0.156) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -70:sc= -1.55 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 F(o=-0.72,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.98) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= -0.15 (180deg=-0.16) USER MOD Single : A 36 GLN : amide:sc= -2.53 X(o=-2.5,f=-2.1) USER MOD Single : A 47 THR OG1 : rot 96:sc= 0.626 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0954 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 -136:sc= 0.229 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 -177:sc= -2.52 (180deg=-2.53) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.311 4.463 -9.646 1.00 0.00 N ATOM 64 CA SER A 1 -5.326 4.303 -10.681 1.00 0.00 C ATOM 65 C SER A 1 -4.849 3.342 -11.766 1.00 0.00 C ATOM 66 O SER A 1 -5.607 2.976 -12.663 1.00 0.00 O ATOM 67 CB SER A 1 -5.671 5.659 -11.300 1.00 0.00 C ATOM 68 OG SER A 1 -7.062 5.769 -11.545 1.00 0.00 O ATOM 0 H1 SER A 1 -4.683 5.067 -8.885 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.061 3.531 -9.258 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.464 4.905 -10.056 1.00 0.00 H new ATOM 0 HA SER A 1 -6.220 3.885 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.352 6.459 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.123 5.786 -12.234 1.00 0.00 H new ATOM 0 HG SER A 1 -7.256 6.645 -11.939 1.00 0.00 H new ATOM 74 N ALA A 2 -3.586 2.938 -11.676 1.00 0.00 N ATOM 75 CA ALA A 2 -3.006 2.019 -12.647 1.00 0.00 C ATOM 76 C ALA A 2 -3.538 0.604 -12.448 1.00 0.00 C ATOM 77 O ALA A 2 -3.715 -0.144 -13.410 1.00 0.00 O ATOM 78 CB ALA A 2 -1.488 2.034 -12.548 1.00 0.00 C ATOM 0 H ALA A 2 -2.945 3.233 -10.940 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.296 2.352 -13.644 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.069 1.343 -13.279 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.120 3.040 -12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.186 1.729 -11.546 1.00 0.00 H new ATOM 84 N ASP A 3 -3.789 0.242 -11.195 1.00 0.00 N ATOM 85 CA ASP A 3 -4.301 -1.084 -10.870 1.00 0.00 C ATOM 86 C ASP A 3 -5.805 -1.161 -11.113 1.00 0.00 C ATOM 87 O ASP A 3 -6.319 -2.184 -11.568 1.00 0.00 O ATOM 88 CB ASP A 3 -3.989 -1.432 -9.413 1.00 0.00 C ATOM 89 CG ASP A 3 -4.137 -2.913 -9.127 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.660 -3.637 -10.000 1.00 0.00 O ATOM 91 OD2 ASP A 3 -3.731 -3.348 -8.030 1.00 0.00 O ATOM 0 H ASP A 3 -3.646 0.848 -10.387 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.808 -1.806 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.972 -1.119 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.655 -0.870 -8.758 1.00 0.00 H new ATOM 96 N LEU A 4 -6.505 -0.075 -10.807 1.00 0.00 N ATOM 97 CA LEU A 4 -7.951 -0.019 -10.991 1.00 0.00 C ATOM 98 C LEU A 4 -8.311 -0.010 -12.473 1.00 0.00 C ATOM 99 O LEU A 4 -9.254 -0.678 -12.898 1.00 0.00 O ATOM 100 CB LEU A 4 -8.525 1.223 -10.307 1.00 0.00 C ATOM 101 CG LEU A 4 -10.050 1.325 -10.271 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.573 1.009 -8.878 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.502 2.710 -10.711 1.00 0.00 C ATOM 0 H LEU A 4 -6.095 0.779 -10.430 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.385 -0.909 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.155 1.253 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.134 2.105 -10.813 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.461 0.593 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.660 1.087 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.280 -0.003 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.154 1.717 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.590 2.765 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.081 3.460 -10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.159 2.899 -11.728 1.00 0.00 H new ATOM 115 N VAL A 5 -7.552 0.751 -13.256 1.00 0.00 N ATOM 116 CA VAL A 5 -7.789 0.844 -14.692 1.00 0.00 C ATOM 117 C VAL A 5 -7.370 -0.437 -15.403 1.00 0.00 C ATOM 118 O VAL A 5 -8.139 -1.011 -16.175 1.00 0.00 O ATOM 119 CB VAL A 5 -7.028 2.033 -15.310 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.136 2.005 -16.827 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.554 3.348 -14.754 1.00 0.00 C ATOM 0 H VAL A 5 -6.769 1.311 -12.920 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.860 0.997 -14.827 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.975 1.947 -15.043 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.593 2.852 -17.246 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.708 1.076 -17.205 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.185 2.067 -17.118 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.006 4.177 -15.201 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.614 3.445 -14.990 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.420 3.365 -13.672 1.00 0.00 H new ATOM 131 N SER A 6 -6.146 -0.883 -15.137 1.00 0.00 N ATOM 132 CA SER A 6 -5.623 -2.096 -15.754 1.00 0.00 C ATOM 133 C SER A 6 -6.496 -3.300 -15.411 1.00 0.00 C ATOM 134 O SER A 6 -6.744 -4.161 -16.254 1.00 0.00 O ATOM 135 CB SER A 6 -4.186 -2.347 -15.295 1.00 0.00 C ATOM 136 OG SER A 6 -3.664 -3.530 -15.877 1.00 0.00 O ATOM 0 H SER A 6 -5.498 -0.422 -14.498 1.00 0.00 H new ATOM 0 HA SER A 6 -5.633 -1.958 -16.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.560 -1.497 -15.567 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.157 -2.429 -14.208 1.00 0.00 H new ATOM 0 HG SER A 6 -2.744 -3.668 -15.569 1.00 0.00 H new ATOM 142 N SER A 7 -6.960 -3.351 -14.166 1.00 0.00 N ATOM 143 CA SER A 7 -7.802 -4.450 -13.709 1.00 0.00 C ATOM 144 C SER A 7 -9.197 -4.356 -14.321 1.00 0.00 C ATOM 145 O SER A 7 -9.700 -5.321 -14.897 1.00 0.00 O ATOM 146 CB SER A 7 -7.901 -4.444 -12.182 1.00 0.00 C ATOM 147 OG SER A 7 -8.646 -3.330 -11.724 1.00 0.00 O ATOM 0 H SER A 7 -6.767 -2.644 -13.456 1.00 0.00 H new ATOM 0 HA SER A 7 -7.344 -5.385 -14.032 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.373 -5.366 -11.841 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.901 -4.419 -11.750 1.00 0.00 H new ATOM 0 HG SER A 7 -8.054 -2.554 -11.637 1.00 0.00 H new ATOM 153 N CYS A 8 -9.816 -3.188 -14.190 1.00 0.00 N ATOM 154 CA CYS A 8 -11.153 -2.967 -14.728 1.00 0.00 C ATOM 155 C CYS A 8 -11.178 -3.199 -16.235 1.00 0.00 C ATOM 156 O CYS A 8 -12.123 -3.780 -16.770 1.00 0.00 O ATOM 157 CB CYS A 8 -11.625 -1.547 -14.411 1.00 0.00 C ATOM 158 SG CYS A 8 -12.252 -1.337 -12.728 1.00 0.00 S ATOM 0 H CYS A 8 -9.413 -2.380 -13.716 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.829 -3.681 -14.257 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.796 -0.857 -14.567 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.408 -1.270 -15.116 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.386 -1.961 -12.606 1.00 0.00 H new ATOM 164 N LYS A 9 -10.133 -2.741 -16.917 1.00 0.00 N ATOM 165 CA LYS A 9 -10.033 -2.897 -18.363 1.00 0.00 C ATOM 166 C LYS A 9 -9.904 -4.369 -18.743 1.00 0.00 C ATOM 167 O LYS A 9 -10.685 -4.884 -19.543 1.00 0.00 O ATOM 168 CB LYS A 9 -8.834 -2.113 -18.900 1.00 0.00 C ATOM 169 CG LYS A 9 -8.477 -2.456 -20.336 1.00 0.00 C ATOM 170 CD LYS A 9 -7.163 -3.215 -20.418 1.00 0.00 C ATOM 171 CE LYS A 9 -6.073 -2.373 -21.062 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.133 -2.432 -22.549 1.00 0.00 N ATOM 0 H LYS A 9 -9.342 -2.258 -16.490 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.946 -2.503 -18.810 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.048 -1.046 -18.833 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.970 -2.305 -18.264 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.273 -3.056 -20.776 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.407 -1.540 -20.923 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.851 -3.513 -19.417 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.305 -4.130 -20.993 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.173 -1.338 -20.735 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.097 -2.721 -20.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.374 -1.845 -22.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.012 -3.416 -22.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.055 -2.076 -22.874 1.00 0.00 H new ATOM 186 N ASP A 10 -8.914 -5.039 -18.164 1.00 0.00 N ATOM 187 CA ASP A 10 -8.684 -6.453 -18.440 1.00 0.00 C ATOM 188 C ASP A 10 -9.966 -7.259 -18.255 1.00 0.00 C ATOM 189 O ASP A 10 -10.322 -8.082 -19.098 1.00 0.00 O ATOM 190 CB ASP A 10 -7.585 -7.000 -17.528 1.00 0.00 C ATOM 191 CG ASP A 10 -7.408 -8.499 -17.670 1.00 0.00 C ATOM 192 OD1 ASP A 10 -6.769 -8.931 -18.652 1.00 0.00 O ATOM 193 OD2 ASP A 10 -7.909 -9.241 -16.799 1.00 0.00 O ATOM 0 H ASP A 10 -8.258 -4.626 -17.501 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.364 -6.548 -19.478 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.643 -6.502 -17.760 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.825 -6.762 -16.492 1.00 0.00 H new ATOM 198 N LYS A 11 -10.655 -7.016 -17.145 1.00 0.00 N ATOM 199 CA LYS A 11 -11.898 -7.718 -16.847 1.00 0.00 C ATOM 200 C LYS A 11 -13.004 -7.298 -17.810 1.00 0.00 C ATOM 201 O LYS A 11 -13.609 -8.136 -18.481 1.00 0.00 O ATOM 202 CB LYS A 11 -12.330 -7.444 -15.405 1.00 0.00 C ATOM 203 CG LYS A 11 -11.265 -7.782 -14.376 1.00 0.00 C ATOM 204 CD LYS A 11 -11.470 -7.006 -13.086 1.00 0.00 C ATOM 205 CE LYS A 11 -10.294 -7.183 -12.137 1.00 0.00 C ATOM 206 NZ LYS A 11 -10.454 -6.370 -10.900 1.00 0.00 N ATOM 0 H LYS A 11 -10.374 -6.338 -16.437 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.721 -8.787 -16.969 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.596 -6.391 -15.308 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.229 -8.021 -15.188 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.287 -8.851 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.279 -7.558 -14.784 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.600 -5.948 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.386 -7.342 -12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.198 -8.235 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.372 -6.897 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.561 -6.368 -10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.706 -5.394 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.207 -6.779 -10.311 1.00 0.00 H new ATOM 220 N LEU A 12 -13.264 -5.997 -17.873 1.00 0.00 N ATOM 221 CA LEU A 12 -14.297 -5.465 -18.755 1.00 0.00 C ATOM 222 C LEU A 12 -14.123 -5.990 -20.176 1.00 0.00 C ATOM 223 O LEU A 12 -15.096 -6.344 -20.842 1.00 0.00 O ATOM 224 CB LEU A 12 -14.257 -3.936 -18.755 1.00 0.00 C ATOM 225 CG LEU A 12 -15.461 -3.233 -19.384 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.272 -2.509 -18.321 1.00 0.00 C ATOM 227 CD2 LEU A 12 -15.007 -2.262 -20.464 1.00 0.00 C ATOM 0 H LEU A 12 -12.774 -5.291 -17.324 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.266 -5.797 -18.381 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.160 -3.595 -17.724 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.358 -3.616 -19.282 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.098 -3.988 -19.846 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.124 -2.015 -18.787 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.628 -3.228 -17.583 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.645 -1.765 -17.829 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.877 -1.771 -20.901 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.349 -1.512 -20.026 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.470 -2.807 -21.241 1.00 0.00 H new ATOM 239 N ALA A 13 -12.876 -6.039 -20.635 1.00 0.00 N ATOM 240 CA ALA A 13 -12.574 -6.525 -21.975 1.00 0.00 C ATOM 241 C ALA A 13 -12.845 -8.021 -22.091 1.00 0.00 C ATOM 242 O ALA A 13 -13.392 -8.487 -23.091 1.00 0.00 O ATOM 243 CB ALA A 13 -11.127 -6.220 -22.334 1.00 0.00 C ATOM 0 H ALA A 13 -12.059 -5.748 -20.098 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.228 -6.008 -22.677 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.916 -6.589 -23.338 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.963 -5.143 -22.301 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.464 -6.710 -21.621 1.00 0.00 H new ATOM 249 N TYR A 14 -12.459 -8.769 -21.064 1.00 0.00 N ATOM 250 CA TYR A 14 -12.658 -10.213 -21.052 1.00 0.00 C ATOM 251 C TYR A 14 -14.115 -10.560 -20.764 1.00 0.00 C ATOM 252 O TYR A 14 -14.535 -11.708 -20.919 1.00 0.00 O ATOM 253 CB TYR A 14 -11.750 -10.865 -20.007 1.00 0.00 C ATOM 254 CG TYR A 14 -11.819 -12.376 -20.004 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.574 -13.105 -21.161 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.129 -13.074 -18.843 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.637 -14.485 -21.162 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.192 -14.454 -18.835 1.00 0.00 C ATOM 259 CZ TYR A 14 -11.946 -15.155 -19.997 1.00 0.00 C ATOM 260 OH TYR A 14 -12.008 -16.530 -19.994 1.00 0.00 O ATOM 0 H TYR A 14 -12.006 -8.399 -20.228 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.400 -10.598 -22.039 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.720 -10.557 -20.189 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.023 -10.495 -19.019 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.330 -12.584 -22.075 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.324 -12.528 -17.932 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.445 -15.036 -22.071 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.433 -14.981 -17.924 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.236 -16.845 -19.095 1.00 0.00 H new ATOM 270 N PHE A 15 -14.883 -9.560 -20.345 1.00 0.00 N ATOM 271 CA PHE A 15 -16.294 -9.758 -20.035 1.00 0.00 C ATOM 272 C PHE A 15 -17.173 -9.331 -21.206 1.00 0.00 C ATOM 273 O PHE A 15 -16.955 -8.280 -21.810 1.00 0.00 O ATOM 274 CB PHE A 15 -16.678 -8.969 -18.781 1.00 0.00 C ATOM 275 CG PHE A 15 -16.328 -9.673 -17.500 1.00 0.00 C ATOM 276 CD1 PHE A 15 -16.719 -10.984 -17.286 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.608 -9.022 -16.511 1.00 0.00 C ATOM 278 CE1 PHE A 15 -16.399 -11.634 -16.109 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.285 -9.667 -15.333 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.682 -10.974 -15.131 1.00 0.00 C ATOM 0 H PHE A 15 -14.552 -8.604 -20.212 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.454 -10.820 -19.851 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.178 -8.001 -18.803 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.750 -8.774 -18.798 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.281 -11.505 -18.048 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.296 -7.999 -16.663 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.709 -12.657 -15.955 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.722 -9.149 -14.570 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.432 -11.479 -14.210 1.00 0.00 H new ATOM 290 N ARG A 16 -18.168 -10.153 -21.522 1.00 0.00 N ATOM 291 CA ARG A 16 -19.080 -9.863 -22.622 1.00 0.00 C ATOM 292 C ARG A 16 -19.747 -8.503 -22.431 1.00 0.00 C ATOM 293 O ARG A 16 -19.480 -7.802 -21.454 1.00 0.00 O ATOM 294 CB ARG A 16 -20.145 -10.955 -22.732 1.00 0.00 C ATOM 295 CG ARG A 16 -19.584 -12.364 -22.643 1.00 0.00 C ATOM 296 CD ARG A 16 -20.313 -13.314 -23.581 1.00 0.00 C ATOM 297 NE ARG A 16 -21.298 -14.130 -22.876 1.00 0.00 N ATOM 298 CZ ARG A 16 -22.001 -15.097 -23.456 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.829 -15.366 -24.742 1.00 0.00 N ATOM 300 NH2 ARG A 16 -22.879 -15.796 -22.747 1.00 0.00 N ATOM 0 H ARG A 16 -18.363 -11.026 -21.032 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.500 -9.838 -23.545 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.880 -10.815 -21.939 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.672 -10.842 -23.679 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.522 -12.350 -22.890 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.668 -12.726 -21.618 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.810 -12.741 -24.363 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.589 -13.964 -24.073 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.455 -13.948 -21.885 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.155 -14.830 -25.289 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.370 -16.109 -25.184 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -23.014 -15.591 -21.757 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -23.419 -16.538 -23.192 1.00 0.00 H new ATOM 314 N ILE A 17 -20.614 -8.138 -23.370 1.00 0.00 N ATOM 315 CA ILE A 17 -21.318 -6.864 -23.304 1.00 0.00 C ATOM 316 C ILE A 17 -22.031 -6.699 -21.966 1.00 0.00 C ATOM 317 O ILE A 17 -22.300 -5.580 -21.527 1.00 0.00 O ATOM 318 CB ILE A 17 -22.349 -6.731 -24.441 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.711 -7.101 -25.782 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.908 -5.317 -24.486 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.340 -6.398 -26.964 1.00 0.00 C ATOM 0 H ILE A 17 -20.845 -8.706 -24.185 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.566 -6.082 -23.412 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.172 -7.420 -24.249 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.649 -6.859 -25.749 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.788 -8.179 -25.927 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.635 -5.239 -25.294 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.394 -5.087 -23.538 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.096 -4.610 -24.658 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.838 -6.708 -27.881 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.397 -6.659 -27.023 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.239 -5.320 -26.842 1.00 0.00 H new ATOM 333 N LYS A 18 -22.332 -7.820 -21.319 1.00 0.00 N ATOM 334 CA LYS A 18 -23.011 -7.801 -20.029 1.00 0.00 C ATOM 335 C LYS A 18 -22.367 -6.785 -19.091 1.00 0.00 C ATOM 336 O LYS A 18 -23.054 -5.957 -18.494 1.00 0.00 O ATOM 337 CB LYS A 18 -22.978 -9.192 -19.392 1.00 0.00 C ATOM 338 CG LYS A 18 -24.353 -9.739 -19.053 1.00 0.00 C ATOM 339 CD LYS A 18 -24.989 -8.976 -17.903 1.00 0.00 C ATOM 340 CE LYS A 18 -26.390 -8.500 -18.256 1.00 0.00 C ATOM 341 NZ LYS A 18 -26.703 -7.186 -17.630 1.00 0.00 N ATOM 0 H LYS A 18 -22.116 -8.754 -21.668 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.048 -7.509 -20.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.479 -9.882 -20.073 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.378 -9.152 -18.483 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.996 -9.678 -19.931 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.271 -10.794 -18.790 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.032 -9.615 -17.021 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.367 -8.119 -17.645 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.484 -8.418 -19.339 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -27.119 -9.241 -17.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.666 -6.896 -17.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.639 -7.270 -16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -26.023 -6.472 -17.962 1.00 0.00 H new ATOM 355 N GLU A 19 -21.045 -6.854 -18.968 1.00 0.00 N ATOM 356 CA GLU A 19 -20.311 -5.939 -18.102 1.00 0.00 C ATOM 357 C GLU A 19 -20.595 -4.488 -18.478 1.00 0.00 C ATOM 358 O GLU A 19 -21.043 -3.695 -17.648 1.00 0.00 O ATOM 359 CB GLU A 19 -18.808 -6.215 -18.190 1.00 0.00 C ATOM 360 CG GLU A 19 -18.186 -6.625 -16.866 1.00 0.00 C ATOM 361 CD GLU A 19 -19.000 -7.680 -16.141 1.00 0.00 C ATOM 362 OE1 GLU A 19 -18.928 -8.862 -16.538 1.00 0.00 O ATOM 363 OE2 GLU A 19 -19.709 -7.323 -15.177 1.00 0.00 O ATOM 0 H GLU A 19 -20.461 -7.533 -19.456 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.645 -6.102 -17.077 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.634 -7.003 -18.923 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.304 -5.321 -18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.180 -7.006 -17.044 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.086 -5.747 -16.228 1.00 0.00 H new ATOM 370 N LEU A 20 -20.332 -4.146 -19.735 1.00 0.00 N ATOM 371 CA LEU A 20 -20.560 -2.790 -20.223 1.00 0.00 C ATOM 372 C LEU A 20 -22.017 -2.381 -20.036 1.00 0.00 C ATOM 373 O LEU A 20 -22.318 -1.214 -19.784 1.00 0.00 O ATOM 374 CB LEU A 20 -20.175 -2.687 -21.700 1.00 0.00 C ATOM 375 CG LEU A 20 -18.682 -2.539 -21.996 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.102 -1.357 -21.236 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.939 -3.819 -21.641 1.00 0.00 C ATOM 0 H LEU A 20 -19.961 -4.789 -20.434 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.935 -2.112 -19.642 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.540 -3.577 -22.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.697 -1.833 -22.132 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.559 -2.354 -23.063 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.039 -1.267 -21.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.614 -0.444 -21.538 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.236 -1.511 -20.165 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.878 -3.696 -21.858 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.070 -4.033 -20.580 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.336 -4.646 -22.230 1.00 0.00 H new ATOM 389 N LYS A 21 -22.918 -3.350 -20.158 1.00 0.00 N ATOM 390 CA LYS A 21 -24.345 -3.092 -19.999 1.00 0.00 C ATOM 391 C LYS A 21 -24.650 -2.567 -18.600 1.00 0.00 C ATOM 392 O LYS A 21 -25.357 -1.572 -18.441 1.00 0.00 O ATOM 393 CB LYS A 21 -25.146 -4.369 -20.262 1.00 0.00 C ATOM 394 CG LYS A 21 -26.200 -4.214 -21.345 1.00 0.00 C ATOM 395 CD LYS A 21 -27.409 -3.445 -20.841 1.00 0.00 C ATOM 396 CE LYS A 21 -28.149 -2.761 -21.980 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.032 -3.708 -22.716 1.00 0.00 N ATOM 0 H LYS A 21 -22.686 -4.321 -20.366 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.635 -2.332 -20.724 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.459 -5.166 -20.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.631 -4.681 -19.337 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.769 -3.695 -22.202 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.513 -5.198 -21.693 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -28.085 -4.126 -20.324 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.090 -2.699 -20.113 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.747 -1.940 -21.584 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.428 -2.325 -22.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -29.518 -3.203 -23.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.458 -4.478 -23.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.737 -4.105 -22.062 1.00 0.00 H new ATOM 411 N ASP A 22 -24.113 -3.241 -17.589 1.00 0.00 N ATOM 412 CA ASP A 22 -24.326 -2.840 -16.203 1.00 0.00 C ATOM 413 C ASP A 22 -23.742 -1.455 -15.942 1.00 0.00 C ATOM 414 O ASP A 22 -24.351 -0.634 -15.257 1.00 0.00 O ATOM 415 CB ASP A 22 -23.697 -3.860 -15.253 1.00 0.00 C ATOM 416 CG ASP A 22 -24.717 -4.826 -14.682 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.814 -4.371 -14.297 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.418 -6.037 -14.622 1.00 0.00 O ATOM 0 H ASP A 22 -23.527 -4.068 -17.703 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.400 -2.801 -16.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.928 -4.421 -15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.202 -3.334 -14.436 1.00 0.00 H new ATOM 423 N ILE A 23 -22.559 -1.204 -16.492 1.00 0.00 N ATOM 424 CA ILE A 23 -21.893 0.081 -16.318 1.00 0.00 C ATOM 425 C ILE A 23 -22.677 1.201 -16.993 1.00 0.00 C ATOM 426 O ILE A 23 -23.068 2.175 -16.349 1.00 0.00 O ATOM 427 CB ILE A 23 -20.462 0.055 -16.887 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.650 -1.065 -16.235 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.784 1.401 -16.676 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.677 -1.029 -14.723 1.00 0.00 C ATOM 0 H ILE A 23 -22.042 -1.873 -17.062 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.845 0.270 -15.246 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.516 -0.139 -17.958 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.035 -2.027 -16.574 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.616 -0.998 -16.574 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.773 1.367 -17.083 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.354 2.179 -17.184 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.738 1.622 -15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.081 -1.852 -14.329 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.265 -0.082 -14.374 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.705 -1.127 -14.375 1.00 0.00 H new ATOM 442 N LEU A 24 -22.904 1.056 -18.294 1.00 0.00 N ATOM 443 CA LEU A 24 -23.644 2.056 -19.057 1.00 0.00 C ATOM 444 C LEU A 24 -25.055 2.228 -18.504 1.00 0.00 C ATOM 445 O LEU A 24 -25.662 3.289 -18.646 1.00 0.00 O ATOM 446 CB LEU A 24 -23.707 1.655 -20.532 1.00 0.00 C ATOM 447 CG LEU A 24 -25.108 1.501 -21.126 1.00 0.00 C ATOM 448 CD1 LEU A 24 -25.063 1.633 -22.640 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.713 0.164 -20.723 1.00 0.00 C ATOM 0 H LEU A 24 -22.587 0.257 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.120 3.008 -18.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -23.167 2.402 -21.114 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -23.176 0.711 -20.654 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.739 2.297 -20.731 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.069 1.521 -23.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -24.671 2.614 -22.908 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -24.417 0.859 -23.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.710 0.071 -21.154 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -25.082 -0.646 -21.089 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.781 0.108 -19.637 1.00 0.00 H new ATOM 461 N ASN A 25 -25.570 1.179 -17.873 1.00 0.00 N ATOM 462 CA ASN A 25 -26.910 1.215 -17.297 1.00 0.00 C ATOM 463 C ASN A 25 -26.950 2.120 -16.069 1.00 0.00 C ATOM 464 O ASN A 25 -27.837 2.962 -15.936 1.00 0.00 O ATOM 465 CB ASN A 25 -27.363 -0.197 -16.919 1.00 0.00 C ATOM 466 CG ASN A 25 -28.307 -0.202 -15.732 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.774 -0.502 -14.553 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.502 0.060 -15.873 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.080 0.293 -17.747 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.590 1.619 -18.047 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.856 -0.659 -17.774 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.489 -0.806 -16.688 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.869 0.285 -16.798 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.125 0.052 -15.065 1.00 0.00 H new ATOM 475 N GLN A 26 -25.982 1.939 -15.175 1.00 0.00 N ATOM 476 CA GLN A 26 -25.907 2.739 -13.959 1.00 0.00 C ATOM 477 C GLN A 26 -25.527 4.181 -14.278 1.00 0.00 C ATOM 478 O GLN A 26 -25.881 5.104 -13.543 1.00 0.00 O ATOM 479 CB GLN A 26 -24.892 2.134 -12.987 1.00 0.00 C ATOM 480 CG GLN A 26 -25.241 0.723 -12.543 1.00 0.00 C ATOM 481 CD GLN A 26 -24.105 0.048 -11.800 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.257 -0.361 -10.649 1.00 0.00 O ATOM 483 NE2 GLN A 26 -22.957 -0.074 -12.457 1.00 0.00 N ATOM 0 H GLN A 26 -25.240 1.246 -15.271 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.892 2.738 -13.492 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.910 2.125 -13.460 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.817 2.774 -12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.121 0.755 -11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.505 0.126 -13.416 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.875 0.279 -13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.158 -0.521 -12.008 1.00 0.00 H new ATOM 492 N LEU A 27 -24.805 4.367 -15.378 1.00 0.00 N ATOM 493 CA LEU A 27 -24.377 5.698 -15.795 1.00 0.00 C ATOM 494 C LEU A 27 -25.565 6.530 -16.267 1.00 0.00 C ATOM 495 O LEU A 27 -25.449 7.738 -16.468 1.00 0.00 O ATOM 496 CB LEU A 27 -23.337 5.593 -16.912 1.00 0.00 C ATOM 497 CG LEU A 27 -23.202 6.816 -17.820 1.00 0.00 C ATOM 498 CD1 LEU A 27 -22.678 8.009 -17.036 1.00 0.00 C ATOM 499 CD2 LEU A 27 -22.290 6.507 -18.998 1.00 0.00 C ATOM 0 H LEU A 27 -24.504 3.614 -15.997 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.929 6.195 -14.935 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.366 5.392 -16.459 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -23.584 4.731 -17.531 1.00 0.00 H new ATOM 0 HG LEU A 27 -24.189 7.068 -18.207 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -22.589 8.869 -17.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -23.369 8.245 -16.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.700 7.769 -16.619 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -22.205 7.388 -19.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -21.302 6.229 -18.630 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.708 5.682 -19.575 1.00 0.00 H new ATOM 619 N LYS A 35 -19.958 -1.888 -28.072 1.00 0.00 N ATOM 620 CA LYS A 35 -18.981 -2.590 -27.248 1.00 0.00 C ATOM 621 C LYS A 35 -17.711 -1.762 -27.086 1.00 0.00 C ATOM 622 O LYS A 35 -17.169 -1.648 -25.987 1.00 0.00 O ATOM 623 CB LYS A 35 -18.643 -3.948 -27.867 1.00 0.00 C ATOM 624 CG LYS A 35 -17.655 -4.761 -27.048 1.00 0.00 C ATOM 625 CD LYS A 35 -18.363 -5.643 -26.035 1.00 0.00 C ATOM 626 CE LYS A 35 -17.694 -5.574 -24.671 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.517 -6.483 -24.584 1.00 0.00 N ATOM 0 HA LYS A 35 -19.419 -2.746 -26.262 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.562 -4.522 -27.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.233 -3.791 -28.865 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.053 -5.380 -27.713 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.970 -4.089 -26.531 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.404 -5.333 -25.947 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.366 -6.674 -26.388 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.377 -4.550 -24.473 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.416 -5.839 -23.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.069 -6.382 -23.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.828 -7.467 -24.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.832 -6.236 -25.326 1.00 0.00 H new ATOM 641 N GLN A 36 -17.242 -1.185 -28.188 1.00 0.00 N ATOM 642 CA GLN A 36 -16.035 -0.367 -28.167 1.00 0.00 C ATOM 643 C GLN A 36 -16.289 0.959 -27.458 1.00 0.00 C ATOM 644 O GLN A 36 -15.554 1.336 -26.545 1.00 0.00 O ATOM 645 CB GLN A 36 -15.543 -0.111 -29.593 1.00 0.00 C ATOM 646 CG GLN A 36 -14.562 1.046 -29.699 1.00 0.00 C ATOM 647 CD GLN A 36 -13.526 1.036 -28.591 1.00 0.00 C ATOM 648 OE1 GLN A 36 -13.138 2.087 -28.079 1.00 0.00 O ATOM 649 NE2 GLN A 36 -13.073 -0.154 -28.215 1.00 0.00 N ATOM 0 H GLN A 36 -17.679 -1.269 -29.106 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.267 -0.911 -27.617 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.068 -1.016 -29.972 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -16.401 0.091 -30.234 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.057 1.002 -30.664 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.111 1.987 -29.669 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.423 -0.999 -28.667 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.375 -0.223 -27.474 1.00 0.00 H new ATOM 658 N ASP A 37 -17.332 1.662 -27.884 1.00 0.00 N ATOM 659 CA ASP A 37 -17.683 2.946 -27.289 1.00 0.00 C ATOM 660 C ASP A 37 -17.784 2.832 -25.771 1.00 0.00 C ATOM 661 O ASP A 37 -17.229 3.652 -25.038 1.00 0.00 O ATOM 662 CB ASP A 37 -19.007 3.454 -27.863 1.00 0.00 C ATOM 663 CG ASP A 37 -18.835 4.715 -28.687 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.019 5.574 -28.293 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.517 4.843 -29.726 1.00 0.00 O ATOM 0 H ASP A 37 -17.949 1.364 -28.639 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.894 3.658 -27.531 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.453 2.676 -28.483 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.703 3.649 -27.047 1.00 0.00 H new ATOM 670 N LEU A 38 -18.495 1.812 -25.305 1.00 0.00 N ATOM 671 CA LEU A 38 -18.669 1.591 -23.874 1.00 0.00 C ATOM 672 C LEU A 38 -17.328 1.332 -23.195 1.00 0.00 C ATOM 673 O LEU A 38 -16.988 1.978 -22.203 1.00 0.00 O ATOM 674 CB LEU A 38 -19.612 0.411 -23.631 1.00 0.00 C ATOM 675 CG LEU A 38 -20.988 0.504 -24.292 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.486 -0.878 -24.685 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.981 1.186 -23.362 1.00 0.00 C ATOM 0 H LEU A 38 -18.961 1.124 -25.897 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.105 2.492 -23.443 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.123 -0.497 -23.983 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.754 0.301 -22.556 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.895 1.105 -25.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.466 -0.792 -25.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.786 -1.331 -25.388 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.563 -1.504 -23.796 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.955 1.244 -23.849 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.070 0.612 -22.440 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.631 2.192 -23.131 1.00 0.00 H new ATOM 689 N ILE A 39 -16.569 0.386 -23.737 1.00 0.00 N ATOM 690 CA ILE A 39 -15.264 0.045 -23.186 1.00 0.00 C ATOM 691 C ILE A 39 -14.408 1.292 -22.989 1.00 0.00 C ATOM 692 O ILE A 39 -13.867 1.522 -21.908 1.00 0.00 O ATOM 693 CB ILE A 39 -14.509 -0.944 -24.095 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.908 -2.383 -23.761 1.00 0.00 C ATOM 695 CG2 ILE A 39 -13.007 -0.757 -23.948 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.755 -3.337 -24.924 1.00 0.00 C ATOM 0 H ILE A 39 -16.836 -0.158 -24.558 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.443 -0.427 -22.220 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.780 -0.743 -25.131 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.299 -2.737 -22.929 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.945 -2.395 -23.425 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.487 -1.463 -24.596 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.738 0.261 -24.230 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.718 -0.935 -22.912 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.056 -4.338 -24.615 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.385 -3.008 -25.750 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.714 -3.354 -25.246 1.00 0.00 H new ATOM 708 N ASP A 40 -14.291 2.094 -24.042 1.00 0.00 N ATOM 709 CA ASP A 40 -13.503 3.320 -23.984 1.00 0.00 C ATOM 710 C ASP A 40 -14.079 4.289 -22.957 1.00 0.00 C ATOM 711 O ASP A 40 -13.341 5.019 -22.295 1.00 0.00 O ATOM 712 CB ASP A 40 -13.454 3.985 -25.361 1.00 0.00 C ATOM 713 CG ASP A 40 -12.051 4.404 -25.752 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.518 5.345 -25.129 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.487 3.792 -26.683 1.00 0.00 O ATOM 0 H ASP A 40 -14.731 1.917 -24.945 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.490 3.058 -23.679 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.846 3.295 -26.109 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.105 4.859 -25.362 1.00 0.00 H new ATOM 720 N ARG A 41 -15.402 4.291 -22.831 1.00 0.00 N ATOM 721 CA ARG A 41 -16.078 5.173 -21.886 1.00 0.00 C ATOM 722 C ARG A 41 -15.730 4.798 -20.448 1.00 0.00 C ATOM 723 O ARG A 41 -15.451 5.664 -19.620 1.00 0.00 O ATOM 724 CB ARG A 41 -17.593 5.108 -22.089 1.00 0.00 C ATOM 725 CG ARG A 41 -18.117 6.120 -23.095 1.00 0.00 C ATOM 726 CD ARG A 41 -17.895 7.546 -22.617 1.00 0.00 C ATOM 727 NE ARG A 41 -18.881 8.469 -23.173 1.00 0.00 N ATOM 728 CZ ARG A 41 -18.733 9.789 -23.175 1.00 0.00 C ATOM 729 NH1 ARG A 41 -17.644 10.338 -22.654 1.00 0.00 N ATOM 730 NH2 ARG A 41 -19.674 10.563 -23.699 1.00 0.00 N ATOM 0 H ARG A 41 -16.027 3.692 -23.371 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.737 6.192 -22.070 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.864 4.105 -22.420 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.087 5.272 -21.131 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.618 5.974 -24.053 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.181 5.952 -23.261 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.944 7.575 -21.529 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.894 7.871 -22.900 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.730 8.079 -23.582 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.918 9.746 -22.251 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.533 11.352 -22.657 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.513 10.145 -24.101 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.559 11.576 -23.700 1.00 0.00 H new ATOM 744 N VAL A 42 -15.750 3.500 -20.159 1.00 0.00 N ATOM 745 CA VAL A 42 -15.437 3.010 -18.823 1.00 0.00 C ATOM 746 C VAL A 42 -14.014 3.383 -18.420 1.00 0.00 C ATOM 747 O VAL A 42 -13.798 4.051 -17.408 1.00 0.00 O ATOM 748 CB VAL A 42 -15.600 1.481 -18.733 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.984 0.953 -17.446 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.069 1.096 -18.827 1.00 0.00 C ATOM 0 H VAL A 42 -15.980 2.770 -20.833 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.141 3.484 -18.139 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.074 1.027 -19.573 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.109 -0.129 -17.400 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.922 1.197 -17.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.479 1.412 -16.590 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.166 0.012 -18.762 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.620 1.560 -18.009 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.475 1.440 -19.778 1.00 0.00 H new ATOM 760 N LEU A 43 -13.046 2.947 -19.219 1.00 0.00 N ATOM 761 CA LEU A 43 -11.642 3.234 -18.947 1.00 0.00 C ATOM 762 C LEU A 43 -11.419 4.732 -18.761 1.00 0.00 C ATOM 763 O LEU A 43 -10.660 5.153 -17.888 1.00 0.00 O ATOM 764 CB LEU A 43 -10.764 2.715 -20.087 1.00 0.00 C ATOM 765 CG LEU A 43 -11.009 1.268 -20.517 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.873 0.774 -21.399 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.170 0.370 -19.299 1.00 0.00 C ATOM 0 H LEU A 43 -13.208 2.393 -20.060 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.365 2.726 -18.023 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.909 3.360 -20.953 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.720 2.813 -19.788 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.932 1.232 -21.095 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.064 -0.257 -21.695 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.804 1.400 -22.288 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.935 0.824 -20.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.344 -0.656 -19.624 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.264 0.411 -18.695 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.018 0.711 -18.705 1.00 0.00 H new ATOM 779 N ALA A 44 -12.088 5.532 -19.585 1.00 0.00 N ATOM 780 CA ALA A 44 -11.967 6.982 -19.508 1.00 0.00 C ATOM 781 C ALA A 44 -12.607 7.520 -18.233 1.00 0.00 C ATOM 782 O ALA A 44 -12.206 8.564 -17.717 1.00 0.00 O ATOM 783 CB ALA A 44 -12.598 7.630 -20.731 1.00 0.00 C ATOM 0 H ALA A 44 -12.720 5.200 -20.314 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.906 7.232 -19.484 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.500 8.713 -20.660 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.093 7.278 -21.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.654 7.363 -20.780 1.00 0.00 H new ATOM 789 N LEU A 45 -13.604 6.801 -17.728 1.00 0.00 N ATOM 790 CA LEU A 45 -14.300 7.207 -16.512 1.00 0.00 C ATOM 791 C LEU A 45 -13.474 6.873 -15.274 1.00 0.00 C ATOM 792 O LEU A 45 -13.360 7.683 -14.354 1.00 0.00 O ATOM 793 CB LEU A 45 -15.665 6.520 -16.429 1.00 0.00 C ATOM 794 CG LEU A 45 -15.947 5.741 -15.144 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.243 6.693 -13.997 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.104 4.774 -15.350 1.00 0.00 C ATOM 0 H LEU A 45 -13.948 5.935 -18.142 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.445 8.287 -16.549 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.439 7.278 -16.548 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.757 5.836 -17.273 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.058 5.164 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.441 6.120 -13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.384 7.344 -13.834 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.116 7.298 -14.242 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.291 4.228 -14.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.998 5.331 -15.630 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.853 4.070 -16.143 1.00 0.00 H new ATOM 808 N LEU A 46 -12.898 5.676 -15.259 1.00 0.00 N ATOM 809 CA LEU A 46 -12.079 5.235 -14.135 1.00 0.00 C ATOM 810 C LEU A 46 -10.687 5.855 -14.199 1.00 0.00 C ATOM 811 O LEU A 46 -9.935 5.823 -13.224 1.00 0.00 O ATOM 812 CB LEU A 46 -11.971 3.709 -14.125 1.00 0.00 C ATOM 813 CG LEU A 46 -13.261 2.943 -14.419 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.986 1.450 -14.510 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.307 3.230 -13.351 1.00 0.00 C ATOM 0 H LEU A 46 -12.983 4.993 -16.012 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.561 5.565 -13.215 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.221 3.413 -14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.602 3.397 -13.148 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.650 3.280 -15.380 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.916 0.921 -14.720 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.272 1.260 -15.311 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.573 1.098 -13.565 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.219 2.676 -13.576 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.927 2.922 -12.377 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.526 4.298 -13.334 1.00 0.00 H new ATOM 827 N THR A 47 -10.349 6.421 -15.354 1.00 0.00 N ATOM 828 CA THR A 47 -9.049 7.049 -15.546 1.00 0.00 C ATOM 829 C THR A 47 -9.161 8.569 -15.509 1.00 0.00 C ATOM 830 O THR A 47 -8.656 9.216 -14.592 1.00 0.00 O ATOM 831 CB THR A 47 -8.411 6.625 -16.882 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.260 5.202 -16.923 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.056 7.290 -17.071 1.00 0.00 C ATOM 0 H THR A 47 -10.959 6.457 -16.171 1.00 0.00 H new ATOM 0 HA THR A 47 -8.413 6.714 -14.726 1.00 0.00 H new ATOM 0 HB THR A 47 -9.069 6.943 -17.690 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.023 4.806 -17.394 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.625 6.975 -18.022 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.179 8.373 -17.070 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.391 6.999 -16.258 1.00 0.00 H new ATOM 841 N ASP A 48 -9.827 9.132 -16.510 1.00 0.00 N ATOM 842 CA ASP A 48 -10.008 10.577 -16.591 1.00 0.00 C ATOM 843 C ASP A 48 -10.986 11.063 -15.527 1.00 0.00 C ATOM 844 O ASP A 48 -11.095 12.262 -15.271 1.00 0.00 O ATOM 845 CB ASP A 48 -10.509 10.973 -17.981 1.00 0.00 C ATOM 846 CG ASP A 48 -9.467 11.734 -18.778 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.432 12.978 -18.673 1.00 0.00 O ATOM 848 OD2 ASP A 48 -8.687 11.085 -19.504 1.00 0.00 O ATOM 0 H ASP A 48 -10.251 8.610 -17.277 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.042 11.049 -16.413 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.797 10.076 -18.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.404 11.587 -17.880 1.00 0.00 H new ATOM 853 N GLU A 49 -11.697 10.124 -14.911 1.00 0.00 N ATOM 854 CA GLU A 49 -12.668 10.458 -13.875 1.00 0.00 C ATOM 855 C GLU A 49 -12.479 9.573 -12.646 1.00 0.00 C ATOM 856 O GLU A 49 -13.419 9.336 -11.889 1.00 0.00 O ATOM 857 CB GLU A 49 -14.093 10.305 -14.412 1.00 0.00 C ATOM 858 CG GLU A 49 -14.814 11.627 -14.611 1.00 0.00 C ATOM 859 CD GLU A 49 -15.831 11.574 -15.734 1.00 0.00 C ATOM 860 OE1 GLU A 49 -15.432 11.741 -16.905 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.027 11.366 -15.441 1.00 0.00 O ATOM 0 H GLU A 49 -11.619 9.127 -15.111 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.506 11.496 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.059 9.773 -15.363 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.668 9.688 -13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.316 11.906 -13.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.083 12.407 -14.825 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.901 5.171 -10.472 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.309 5.671 -11.708 1.00 0.00 C ATOM 1078 C LEU A 63 -19.832 5.996 -11.512 1.00 0.00 C ATOM 1079 O LEU A 63 -19.185 6.556 -12.398 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.058 6.916 -12.188 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.389 7.954 -11.115 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.115 8.555 -10.542 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.285 9.044 -11.687 1.00 0.00 C ATOM 0 HA LEU A 63 -21.393 4.890 -12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.461 7.399 -12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.989 6.597 -12.657 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.926 7.456 -10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.371 9.291 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.509 7.766 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.550 9.039 -11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.511 9.774 -10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -22.774 9.539 -12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.213 8.600 -12.048 1.00 0.00 H new ATOM 1095 N THR A 64 -19.302 5.639 -10.346 1.00 0.00 N ATOM 1096 CA THR A 64 -17.901 5.891 -10.034 1.00 0.00 C ATOM 1097 C THR A 64 -17.088 4.603 -10.075 1.00 0.00 C ATOM 1098 O THR A 64 -17.624 3.526 -10.339 1.00 0.00 O ATOM 1099 CB THR A 64 -17.743 6.541 -8.646 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.964 7.186 -8.265 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.608 7.554 -8.649 1.00 0.00 C ATOM 0 H THR A 64 -19.823 5.174 -9.602 1.00 0.00 H new ATOM 0 HA THR A 64 -17.527 6.577 -10.793 1.00 0.00 H new ATOM 0 HB THR A 64 -17.507 5.757 -7.927 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.856 7.595 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.516 8.000 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.675 7.054 -8.911 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.819 8.335 -9.380 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.791 4.718 -9.811 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.903 3.562 -9.815 1.00 0.00 C ATOM 1111 C LYS A 65 -15.460 2.445 -8.939 1.00 0.00 C ATOM 1112 O LYS A 65 -15.483 1.282 -9.341 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.509 3.962 -9.326 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.520 4.705 -8.001 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.172 5.341 -7.708 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.276 6.388 -6.609 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.972 7.060 -6.356 1.00 0.00 N ATOM 0 H LYS A 65 -15.331 5.602 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.830 3.195 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.897 3.066 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.034 4.589 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.290 5.476 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.780 4.015 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.462 4.570 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.781 5.802 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.020 7.134 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.625 5.916 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.086 7.766 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.267 6.352 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.650 7.532 -7.225 1.00 0.00 H new ATOM 1131 N GLU A 66 -15.908 2.806 -7.741 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.466 1.833 -6.809 1.00 0.00 C ATOM 1133 C GLU A 66 -17.554 0.999 -7.479 1.00 0.00 C ATOM 1134 O GLU A 66 -17.635 -0.212 -7.278 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.036 2.541 -5.578 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.453 2.043 -4.266 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.337 2.366 -3.076 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.553 2.094 -3.150 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -16.812 2.890 -2.071 1.00 0.00 O ATOM 0 H GLU A 66 -15.896 3.765 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.662 1.166 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.850 3.611 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.117 2.406 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.307 0.964 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.470 2.490 -4.116 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.389 1.658 -8.276 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.472 0.979 -8.977 1.00 0.00 C ATOM 1148 C ALA A 67 -18.927 0.030 -10.039 1.00 0.00 C ATOM 1149 O ALA A 67 -19.259 -1.156 -10.056 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.413 1.995 -9.607 1.00 0.00 C ATOM 0 H ALA A 67 -18.336 2.661 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.029 0.388 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.217 1.473 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.837 2.630 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.861 2.611 -10.317 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.091 0.559 -10.926 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.500 -0.241 -11.992 1.00 0.00 C ATOM 1158 C VAL A 68 -16.806 -1.478 -11.431 1.00 0.00 C ATOM 1159 O VAL A 68 -16.995 -2.587 -11.929 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.484 0.577 -12.811 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.822 -0.296 -13.866 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.160 1.780 -13.450 1.00 0.00 C ATOM 0 H VAL A 68 -17.807 1.539 -10.928 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.316 -0.550 -12.645 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.709 0.941 -12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.107 0.299 -14.435 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.302 -1.122 -13.381 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.582 -0.692 -14.540 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.427 2.346 -14.025 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.957 1.441 -14.112 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.581 2.416 -12.672 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.003 -1.278 -10.391 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.283 -2.377 -9.760 1.00 0.00 C ATOM 1174 C ALA A 69 -16.238 -3.303 -9.014 1.00 0.00 C ATOM 1175 O ALA A 69 -15.978 -4.498 -8.874 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.220 -1.838 -8.814 1.00 0.00 C ATOM 0 H ALA A 69 -15.835 -0.365 -9.968 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.795 -2.956 -10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.690 -2.670 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.513 -1.224 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.694 -1.233 -8.041 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.344 -2.743 -8.537 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.339 -3.518 -7.805 1.00 0.00 C ATOM 1184 C LYS A 70 -18.969 -4.580 -8.701 1.00 0.00 C ATOM 1185 O LYS A 70 -19.019 -5.757 -8.343 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.426 -2.595 -7.249 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.589 -3.338 -6.614 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.544 -2.386 -5.914 1.00 0.00 C ATOM 1189 CE LYS A 70 -21.788 -2.802 -4.472 1.00 0.00 C ATOM 1190 NZ LYS A 70 -22.851 -1.980 -3.829 1.00 0.00 N ATOM 0 H LYS A 70 -17.574 -1.755 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.836 -4.018 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.982 -1.930 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.804 -1.966 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.127 -3.896 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.209 -4.066 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.135 -1.376 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.492 -2.359 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.074 -3.853 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.862 -2.706 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.987 -2.295 -2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.568 -0.979 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.741 -2.091 -4.355 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.446 -4.157 -9.866 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.069 -5.072 -10.814 1.00 0.00 C ATOM 1206 C ILE A 71 -19.051 -6.059 -11.376 1.00 0.00 C ATOM 1207 O ILE A 71 -19.253 -7.272 -11.326 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.729 -4.313 -11.980 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.522 -3.115 -11.453 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.632 -5.244 -12.775 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.568 -3.487 -10.425 1.00 0.00 C ATOM 0 H ILE A 71 -19.413 -3.186 -10.176 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.837 -5.618 -10.266 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.947 -3.944 -12.643 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.830 -2.397 -11.012 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -22.009 -2.615 -12.290 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -22.091 -4.693 -13.596 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -21.042 -6.068 -13.177 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.411 -5.640 -12.123 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.091 -2.589 -10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.283 -4.181 -10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.085 -3.960 -9.570 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.955 -5.530 -11.910 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.903 -6.364 -12.479 1.00 0.00 C ATOM 1225 C VAL A 72 -16.426 -7.408 -11.476 1.00 0.00 C ATOM 1226 O VAL A 72 -16.163 -8.555 -11.836 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.699 -5.516 -12.933 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.608 -6.405 -13.509 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -16.137 -4.470 -13.946 1.00 0.00 C ATOM 0 H VAL A 72 -17.772 -4.528 -11.961 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.332 -6.867 -13.346 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.292 -4.999 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.766 -5.789 -13.824 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.276 -7.112 -12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.999 -6.952 -14.367 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.274 -3.880 -14.256 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -16.570 -4.965 -14.816 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.881 -3.815 -13.494 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.318 -7.003 -10.215 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.874 -7.904 -9.158 1.00 0.00 C ATOM 1241 C ASP A 73 -16.866 -9.048 -8.967 1.00 0.00 C ATOM 1242 O ASP A 73 -16.481 -10.216 -8.923 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.700 -7.139 -7.846 1.00 0.00 C ATOM 1244 CG ASP A 73 -15.193 -8.022 -6.723 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -15.875 -9.016 -6.396 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.114 -7.720 -6.171 1.00 0.00 O ATOM 0 H ASP A 73 -16.532 -6.057 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.913 -8.325 -9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.003 -6.315 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.654 -6.700 -7.556 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.144 -8.702 -8.853 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.192 -9.699 -8.667 1.00 0.00 C ATOM 1253 C ASP A 74 -19.187 -10.713 -9.807 1.00 0.00 C ATOM 1254 O ASP A 74 -19.321 -11.916 -9.584 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.560 -9.022 -8.576 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.788 -8.356 -7.233 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.931 -8.516 -6.339 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.823 -7.675 -7.076 1.00 0.00 O ATOM 0 H ASP A 74 -18.479 -7.739 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.994 -10.227 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.647 -8.277 -9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.341 -9.763 -8.748 1.00 0.00 H new ATOM 1263 N THR A 75 -19.032 -10.218 -11.031 1.00 0.00 N ATOM 1264 CA THR A 75 -19.012 -11.079 -12.207 1.00 0.00 C ATOM 1265 C THR A 75 -17.864 -12.079 -12.136 1.00 0.00 C ATOM 1266 O THR A 75 -18.066 -13.284 -12.292 1.00 0.00 O ATOM 1267 CB THR A 75 -18.883 -10.257 -13.503 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.016 -8.861 -13.213 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.939 -10.673 -14.515 1.00 0.00 C ATOM 0 H THR A 75 -18.918 -9.225 -11.234 1.00 0.00 H new ATOM 0 HA THR A 75 -19.959 -11.618 -12.221 1.00 0.00 H new ATOM 0 HB THR A 75 -17.899 -10.446 -13.931 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.596 -8.442 -13.883 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.828 -10.079 -15.422 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.816 -11.729 -14.756 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.931 -10.510 -14.094 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.658 -11.573 -11.900 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.477 -12.423 -11.811 1.00 0.00 C ATOM 1279 C TYR A 76 -15.590 -13.392 -10.638 1.00 0.00 C ATOM 1280 O TYR A 76 -15.322 -14.586 -10.777 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.218 -11.567 -11.660 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.088 -11.986 -12.572 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.853 -13.327 -12.850 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.255 -11.041 -13.159 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.821 -13.715 -13.682 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -11.222 -11.419 -13.994 1.00 0.00 C ATOM 1287 CZ TYR A 76 -11.009 -12.757 -14.252 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.980 -13.139 -15.084 1.00 0.00 O ATOM 0 H TYR A 76 -16.473 -10.579 -11.767 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.407 -13.002 -12.732 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.470 -10.526 -11.863 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.877 -11.617 -10.626 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.489 -14.080 -12.407 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.418 -9.992 -12.959 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.651 -14.762 -13.885 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.585 -10.671 -14.442 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.505 -12.344 -15.403 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.991 -12.870 -9.484 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.140 -13.687 -8.286 1.00 0.00 C ATOM 1300 C ARG A 77 -17.044 -14.887 -8.556 1.00 0.00 C ATOM 1301 O ARG A 77 -16.759 -16.003 -8.120 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.713 -12.851 -7.140 1.00 0.00 C ATOM 1303 CG ARG A 77 -16.086 -13.157 -5.790 1.00 0.00 C ATOM 1304 CD ARG A 77 -15.396 -11.934 -5.207 1.00 0.00 C ATOM 1305 NE ARG A 77 -14.444 -11.344 -6.144 1.00 0.00 N ATOM 1306 CZ ARG A 77 -13.471 -10.515 -5.779 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -13.323 -10.182 -4.505 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -12.644 -10.020 -6.691 1.00 0.00 N ATOM 0 H ARG A 77 -16.219 -11.884 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.154 -14.053 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.571 -11.794 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.788 -13.022 -7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.855 -13.505 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.364 -13.967 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.145 -11.190 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.877 -12.213 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.530 -11.581 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.956 -10.562 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.576 -9.546 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.755 -10.276 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.897 -9.384 -6.411 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.135 -14.649 -9.276 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.080 -15.709 -9.605 1.00 0.00 C ATOM 1324 C LYS A 78 -18.567 -16.556 -10.765 1.00 0.00 C ATOM 1325 O LYS A 78 -18.922 -17.727 -10.897 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.444 -15.112 -9.961 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.547 -16.148 -10.091 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.261 -16.037 -11.428 1.00 0.00 C ATOM 1329 CE LYS A 78 -21.521 -16.795 -12.520 1.00 0.00 C ATOM 1330 NZ LYS A 78 -22.416 -17.145 -13.657 1.00 0.00 N ATOM 0 H LYS A 78 -18.387 -13.731 -9.643 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.187 -16.350 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.725 -14.388 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.358 -14.566 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.124 -17.147 -9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.266 -16.019 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.274 -16.429 -11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -22.350 -14.987 -11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -20.691 -16.189 -12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.091 -17.706 -12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.874 -17.660 -14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -23.194 -17.744 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.806 -16.275 -14.072 1.00 0.00 H new ATOM 1344 N MET A 79 -17.727 -15.956 -11.603 1.00 0.00 N ATOM 1345 CA MET A 79 -17.162 -16.657 -12.751 1.00 0.00 C ATOM 1346 C MET A 79 -16.275 -17.813 -12.299 1.00 0.00 C ATOM 1347 O MET A 79 -16.500 -18.963 -12.675 1.00 0.00 O ATOM 1348 CB MET A 79 -16.357 -15.690 -13.621 1.00 0.00 C ATOM 1349 CG MET A 79 -16.035 -16.239 -15.001 1.00 0.00 C ATOM 1350 SD MET A 79 -14.347 -15.873 -15.517 1.00 0.00 S ATOM 1351 CE MET A 79 -14.549 -14.228 -16.195 1.00 0.00 C ATOM 0 H MET A 79 -17.423 -14.987 -11.509 1.00 0.00 H new ATOM 0 HA MET A 79 -17.985 -17.063 -13.339 1.00 0.00 H new ATOM 0 HB2 MET A 79 -16.916 -14.761 -13.730 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.426 -15.444 -13.110 1.00 0.00 H new ATOM 0 HG2 MET A 79 -16.185 -17.319 -15.002 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.732 -15.819 -15.727 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.599 -13.885 -16.605 1.00 0.00 H new ATOM 0 HE2 MET A 79 -15.299 -14.250 -16.985 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.871 -13.547 -15.407 1.00 0.00 H new