USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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: C 84 CYS SG : rot -90:sc= -3.13 USER MOD Set 1.2: C 85 MET CE :methyl -169:sc= -4.59! (180deg=-1.86!) USER MOD Set 2.1: C 80 MET CE :methyl 155:sc=-0.00384 (180deg=0) USER MOD Set 2.2: C 81 MET CE :methyl 148:sc= -3.65! (180deg=-6.2!) USER MOD Set 3.1: C 35 CYS SG : rot 95:sc= -0.725! USER MOD Set 3.2: C 69 SER OG : rot -159:sc= 0.352 USER MOD Set 3.3: C 71 THR OG1 : rot 131:sc=0.000502 USER MOD Set 4.1: C 13 THR OG1 : rot 180:sc= 0.0743 USER MOD Set 4.2: C 16 GLN : amide:sc= -5.74! C(o=-5.7!,f=-17!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ -122:sc= 0.195 (180deg=-1.8!) USER MOD Single : C 18 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.67) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 SER OG : rot 180:sc= -0.0185 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.328 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 171:sc= -0.0121 (180deg=-0.174) USER MOD Single : C 47 MET CE :methyl -101:sc= -6.21! (180deg=-10!) USER MOD Single : C 50 GLN : amide:sc= -0.759 K(o=-0.76,f=0.061) USER MOD Single : C 51 ASN : amide:sc= -0.297 K(o=-0.3,f=-7.4!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.6) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -118:sc= -3.28 (180deg=-6.16!) USER MOD Single : I 154 MET CE :methyl -171:sc= 0 (180deg=-0.135) USER MOD Single : I 155 GLN : amide:sc= -2.04! C(o=-2!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 87.652 -15.980 -1.181 1.00 0.00 N ATOM 64 CA TYR C 5 87.231 -14.725 -0.562 1.00 0.00 C ATOM 65 C TYR C 5 86.030 -14.951 0.352 1.00 0.00 C ATOM 66 O TYR C 5 85.841 -14.239 1.339 1.00 0.00 O ATOM 67 CB TYR C 5 86.861 -13.698 -1.633 1.00 0.00 C ATOM 68 CG TYR C 5 88.108 -13.277 -2.373 1.00 0.00 C ATOM 69 CD1 TYR C 5 88.891 -12.224 -1.884 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.484 -13.941 -3.547 1.00 0.00 C ATOM 71 CE1 TYR C 5 90.049 -11.836 -2.568 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.642 -13.553 -4.231 1.00 0.00 C ATOM 73 CZ TYR C 5 90.425 -12.500 -3.741 1.00 0.00 C ATOM 74 OH TYR C 5 91.567 -12.119 -4.415 1.00 0.00 O ATOM 0 HA TYR C 5 88.065 -14.347 0.029 1.00 0.00 H new ATOM 0 HB2 TYR C 5 86.138 -14.125 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR C 5 86.387 -12.831 -1.173 1.00 0.00 H new ATOM 0 HD1 TYR C 5 88.601 -11.711 -0.979 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.880 -14.753 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR C 5 90.652 -11.024 -2.190 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.932 -14.065 -5.136 1.00 0.00 H new ATOM 0 HH TYR C 5 91.683 -12.684 -5.208 1.00 0.00 H new ATOM 84 N LYS C 6 85.220 -15.949 0.013 1.00 0.00 N ATOM 85 CA LYS C 6 84.037 -16.262 0.812 1.00 0.00 C ATOM 86 C LYS C 6 84.429 -16.523 2.263 1.00 0.00 C ATOM 87 O LYS C 6 83.660 -16.258 3.187 1.00 0.00 O ATOM 88 CB LYS C 6 83.324 -17.495 0.254 1.00 0.00 C ATOM 89 CG LYS C 6 82.319 -17.063 -0.816 1.00 0.00 C ATOM 90 CD LYS C 6 81.164 -16.306 -0.158 1.00 0.00 C ATOM 91 CE LYS C 6 80.507 -17.195 0.900 1.00 0.00 C ATOM 92 NZ LYS C 6 79.129 -16.700 1.180 1.00 0.00 N ATOM 0 H LYS C 6 85.357 -16.550 -0.800 1.00 0.00 H new ATOM 0 HA LYS C 6 83.364 -15.406 0.767 1.00 0.00 H new ATOM 0 HB2 LYS C 6 84.051 -18.186 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.812 -18.026 1.056 1.00 0.00 H new ATOM 0 HG2 LYS C 6 82.809 -16.429 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS C 6 81.940 -17.936 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS C 6 81.531 -15.388 0.301 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.431 -16.015 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.470 -18.227 0.551 1.00 0.00 H new ATOM 0 HE3 LYS C 6 81.100 -17.189 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.682 -17.304 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.176 -15.722 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 78.566 -16.728 0.306 1.00 0.00 H new ATOM 106 N ALA C 7 85.639 -17.043 2.453 1.00 0.00 N ATOM 107 CA ALA C 7 86.132 -17.334 3.796 1.00 0.00 C ATOM 108 C ALA C 7 86.623 -16.054 4.462 1.00 0.00 C ATOM 109 O ALA C 7 86.131 -15.658 5.519 1.00 0.00 O ATOM 110 CB ALA C 7 87.283 -18.340 3.739 1.00 0.00 C ATOM 0 H ALA C 7 86.291 -17.270 1.702 1.00 0.00 H new ATOM 0 HA ALA C 7 85.312 -17.759 4.375 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.638 -18.545 4.749 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.934 -19.266 3.282 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.098 -17.927 3.145 1.00 0.00 H new ATOM 116 N ALA C 8 87.597 -15.408 3.827 1.00 0.00 N ATOM 117 CA ALA C 8 88.147 -14.167 4.361 1.00 0.00 C ATOM 118 C ALA C 8 87.017 -13.228 4.767 1.00 0.00 C ATOM 119 O ALA C 8 87.140 -12.457 5.719 1.00 0.00 O ATOM 120 CB ALA C 8 89.021 -13.473 3.316 1.00 0.00 C ATOM 0 H ALA C 8 88.018 -15.719 2.951 1.00 0.00 H new ATOM 0 HA ALA C 8 88.755 -14.411 5.232 1.00 0.00 H new ATOM 0 HB1 ALA C 8 89.422 -12.549 3.733 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.843 -14.131 3.034 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.422 -13.243 2.435 1.00 0.00 H new ATOM 126 N VAL C 9 85.910 -13.308 4.034 1.00 0.00 N ATOM 127 CA VAL C 9 84.752 -12.468 4.321 1.00 0.00 C ATOM 128 C VAL C 9 83.965 -13.042 5.496 1.00 0.00 C ATOM 129 O VAL C 9 83.302 -12.314 6.234 1.00 0.00 O ATOM 130 CB VAL C 9 83.836 -12.383 3.096 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.490 -11.774 3.497 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.494 -11.502 2.032 1.00 0.00 C ATOM 0 H VAL C 9 85.791 -13.941 3.243 1.00 0.00 H new ATOM 0 HA VAL C 9 85.108 -11.469 4.573 1.00 0.00 H new ATOM 0 HB VAL C 9 83.674 -13.384 2.697 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.842 -11.716 2.622 1.00 0.00 H new ATOM 0 HG12 VAL C 9 82.020 -12.399 4.256 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.649 -10.773 3.898 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.845 -11.440 1.159 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.656 -10.503 2.436 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.451 -11.935 1.742 1.00 0.00 H new ATOM 142 N GLU C 10 84.051 -14.359 5.660 1.00 0.00 N ATOM 143 CA GLU C 10 83.346 -15.026 6.748 1.00 0.00 C ATOM 144 C GLU C 10 84.163 -14.937 8.032 1.00 0.00 C ATOM 145 O GLU C 10 83.626 -15.021 9.137 1.00 0.00 O ATOM 146 CB GLU C 10 83.101 -16.497 6.408 1.00 0.00 C ATOM 147 CG GLU C 10 81.922 -16.608 5.440 1.00 0.00 C ATOM 148 CD GLU C 10 80.621 -16.723 6.228 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.418 -17.751 6.852 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.847 -15.781 6.194 1.00 0.00 O ATOM 0 H GLU C 10 84.596 -14.979 5.060 1.00 0.00 H new ATOM 0 HA GLU C 10 82.387 -14.528 6.889 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.995 -16.931 5.960 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.893 -17.062 7.317 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.889 -15.734 4.790 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.047 -17.479 4.797 1.00 0.00 H new ATOM 157 N GLN C 11 85.470 -14.760 7.868 1.00 0.00 N ATOM 158 CA GLN C 11 86.367 -14.650 9.014 1.00 0.00 C ATOM 159 C GLN C 11 86.002 -13.435 9.851 1.00 0.00 C ATOM 160 O GLN C 11 85.886 -13.512 11.074 1.00 0.00 O ATOM 161 CB GLN C 11 87.814 -14.494 8.547 1.00 0.00 C ATOM 162 CG GLN C 11 88.324 -15.829 8.000 1.00 0.00 C ATOM 163 CD GLN C 11 89.830 -15.929 8.221 1.00 0.00 C ATOM 164 OE1 GLN C 11 90.609 -15.244 7.559 1.00 0.00 O ATOM 165 NE2 GLN C 11 90.291 -16.751 9.124 1.00 0.00 N ATOM 0 H GLN C 11 85.930 -14.690 6.960 1.00 0.00 H new ATOM 0 HA GLN C 11 86.266 -15.558 9.608 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.877 -13.726 7.776 1.00 0.00 H new ATOM 0 HB3 GLN C 11 88.441 -14.166 9.376 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.817 -16.655 8.498 1.00 0.00 H new ATOM 0 HG3 GLN C 11 88.096 -15.909 6.937 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.646 -17.319 9.673 1.00 0.00 H new ATOM 0 HE22 GLN C 11 91.296 -16.825 9.280 1.00 0.00 H new ATOM 174 N LEU C 12 85.832 -12.305 9.173 1.00 0.00 N ATOM 175 CA LEU C 12 85.493 -11.067 9.858 1.00 0.00 C ATOM 176 C LEU C 12 84.432 -11.318 10.924 1.00 0.00 C ATOM 177 O LEU C 12 83.635 -12.252 10.821 1.00 0.00 O ATOM 178 CB LEU C 12 84.970 -10.022 8.866 1.00 0.00 C ATOM 179 CG LEU C 12 85.989 -9.813 7.739 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.697 -8.488 7.030 1.00 0.00 C ATOM 181 CD2 LEU C 12 87.407 -9.773 8.318 1.00 0.00 C ATOM 0 H LEU C 12 85.923 -12.222 8.160 1.00 0.00 H new ATOM 0 HA LEU C 12 86.400 -10.690 10.331 1.00 0.00 H new ATOM 0 HB2 LEU C 12 84.017 -10.348 8.450 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.787 -9.079 9.381 1.00 0.00 H new ATOM 0 HG LEU C 12 85.912 -10.637 7.030 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.420 -8.337 6.228 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.691 -8.513 6.611 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.772 -7.669 7.745 1.00 0.00 H new ATOM 0 HD21 LEU C 12 88.125 -9.624 7.512 1.00 0.00 H new ATOM 0 HD22 LEU C 12 87.486 -8.952 9.030 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.620 -10.714 8.824 1.00 0.00 H new ATOM 193 N THR C 13 84.432 -10.474 11.953 1.00 0.00 N ATOM 194 CA THR C 13 83.466 -10.613 13.039 1.00 0.00 C ATOM 195 C THR C 13 82.163 -9.899 12.693 1.00 0.00 C ATOM 196 O THR C 13 82.152 -8.925 11.940 1.00 0.00 O ATOM 197 CB THR C 13 84.026 -10.024 14.336 1.00 0.00 C ATOM 198 OG1 THR C 13 84.843 -8.900 14.031 1.00 0.00 O ATOM 199 CG2 THR C 13 84.854 -11.086 15.063 1.00 0.00 C ATOM 0 H THR C 13 85.082 -9.695 12.057 1.00 0.00 H new ATOM 0 HA THR C 13 83.272 -11.677 13.177 1.00 0.00 H new ATOM 0 HB THR C 13 83.205 -9.708 14.979 1.00 0.00 H new ATOM 0 HG1 THR C 13 85.201 -8.521 14.861 1.00 0.00 H new ATOM 0 HG21 THR C 13 85.253 -10.667 15.987 1.00 0.00 H new ATOM 0 HG22 THR C 13 84.222 -11.943 15.297 1.00 0.00 H new ATOM 0 HG23 THR C 13 85.677 -11.406 14.424 1.00 0.00 H new ATOM 207 N GLU C 14 81.066 -10.397 13.254 1.00 0.00 N ATOM 208 CA GLU C 14 79.753 -9.806 13.005 1.00 0.00 C ATOM 209 C GLU C 14 79.832 -8.284 13.062 1.00 0.00 C ATOM 210 O GLU C 14 79.078 -7.583 12.388 1.00 0.00 O ATOM 211 CB GLU C 14 78.742 -10.292 14.045 1.00 0.00 C ATOM 212 CG GLU C 14 79.197 -9.858 15.440 1.00 0.00 C ATOM 213 CD GLU C 14 78.664 -10.840 16.478 1.00 0.00 C ATOM 214 OE1 GLU C 14 78.167 -11.880 16.081 1.00 0.00 O ATOM 215 OE2 GLU C 14 78.761 -10.536 17.656 1.00 0.00 O ATOM 0 H GLU C 14 81.058 -11.202 13.880 1.00 0.00 H new ATOM 0 HA GLU C 14 79.429 -10.115 12.011 1.00 0.00 H new ATOM 0 HB2 GLU C 14 77.756 -9.882 13.828 1.00 0.00 H new ATOM 0 HB3 GLU C 14 78.652 -11.377 14.001 1.00 0.00 H new ATOM 0 HG2 GLU C 14 80.285 -9.821 15.484 1.00 0.00 H new ATOM 0 HG3 GLU C 14 78.835 -8.853 15.656 1.00 0.00 H new ATOM 222 N GLU C 15 80.753 -7.781 13.880 1.00 0.00 N ATOM 223 CA GLU C 15 80.924 -6.338 14.026 1.00 0.00 C ATOM 224 C GLU C 15 81.245 -5.695 12.679 1.00 0.00 C ATOM 225 O GLU C 15 80.399 -5.039 12.073 1.00 0.00 O ATOM 226 CB GLU C 15 82.055 -6.028 15.012 1.00 0.00 C ATOM 227 CG GLU C 15 81.815 -6.784 16.320 1.00 0.00 C ATOM 228 CD GLU C 15 81.097 -5.873 17.309 1.00 0.00 C ATOM 229 OE1 GLU C 15 80.030 -5.389 16.971 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.626 -5.672 18.390 1.00 0.00 O ATOM 0 H GLU C 15 81.387 -8.345 14.447 1.00 0.00 H new ATOM 0 HA GLU C 15 79.989 -5.928 14.407 1.00 0.00 H new ATOM 0 HB2 GLU C 15 83.015 -6.317 14.583 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.101 -4.956 15.203 1.00 0.00 H new ATOM 0 HG2 GLU C 15 81.218 -7.677 16.132 1.00 0.00 H new ATOM 0 HG3 GLU C 15 82.764 -7.117 16.739 1.00 0.00 H new ATOM 237 N GLN C 16 82.479 -5.885 12.221 1.00 0.00 N ATOM 238 CA GLN C 16 82.900 -5.309 10.938 1.00 0.00 C ATOM 239 C GLN C 16 81.813 -5.511 9.888 1.00 0.00 C ATOM 240 O GLN C 16 81.547 -4.630 9.071 1.00 0.00 O ATOM 241 CB GLN C 16 84.213 -5.925 10.416 1.00 0.00 C ATOM 242 CG GLN C 16 84.746 -6.986 11.384 1.00 0.00 C ATOM 243 CD GLN C 16 86.057 -7.558 10.855 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.347 -8.736 11.049 1.00 0.00 O ATOM 245 NE2 GLN C 16 86.878 -6.786 10.196 1.00 0.00 N ATOM 0 H GLN C 16 83.197 -6.423 12.706 1.00 0.00 H new ATOM 0 HA GLN C 16 83.070 -4.247 11.114 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.044 -6.373 9.437 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.959 -5.141 10.284 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.902 -6.547 12.369 1.00 0.00 H new ATOM 0 HG3 GLN C 16 84.013 -7.784 11.503 1.00 0.00 H new ATOM 0 HE21 GLN C 16 86.639 -5.808 10.034 1.00 0.00 H new ATOM 0 HE22 GLN C 16 87.758 -7.161 9.843 1.00 0.00 H new ATOM 254 N LYS C 17 81.187 -6.683 9.918 1.00 0.00 N ATOM 255 CA LYS C 17 80.126 -6.993 8.964 1.00 0.00 C ATOM 256 C LYS C 17 79.029 -5.933 9.023 1.00 0.00 C ATOM 257 O LYS C 17 78.295 -5.723 8.057 1.00 0.00 O ATOM 258 CB LYS C 17 79.514 -8.362 9.272 1.00 0.00 C ATOM 259 CG LYS C 17 80.615 -9.425 9.286 1.00 0.00 C ATOM 260 CD LYS C 17 80.982 -9.799 7.849 1.00 0.00 C ATOM 261 CE LYS C 17 80.096 -10.956 7.381 1.00 0.00 C ATOM 262 NZ LYS C 17 80.945 -12.017 6.769 1.00 0.00 N ATOM 0 H LYS C 17 81.392 -7.427 10.585 1.00 0.00 H new ATOM 0 HA LYS C 17 80.564 -7.007 7.966 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.007 -8.336 10.237 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.762 -8.612 8.523 1.00 0.00 H new ATOM 0 HG2 LYS C 17 81.493 -9.047 9.810 1.00 0.00 H new ATOM 0 HG3 LYS C 17 80.276 -10.308 9.827 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.851 -8.938 7.193 1.00 0.00 H new ATOM 0 HD3 LYS C 17 82.032 -10.085 7.793 1.00 0.00 H new ATOM 0 HE2 LYS C 17 79.537 -11.364 8.223 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.365 -10.598 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 80.637 -12.186 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 81.939 -11.711 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.852 -12.895 7.318 1.00 0.00 H new ATOM 276 N ASN C 18 78.925 -5.270 10.172 1.00 0.00 N ATOM 277 CA ASN C 18 77.912 -4.232 10.358 1.00 0.00 C ATOM 278 C ASN C 18 78.448 -2.869 9.931 1.00 0.00 C ATOM 279 O ASN C 18 77.997 -2.289 8.943 1.00 0.00 O ATOM 280 CB ASN C 18 77.488 -4.156 11.826 1.00 0.00 C ATOM 281 CG ASN C 18 76.678 -5.396 12.189 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.817 -5.828 11.423 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.905 -6.000 13.324 1.00 0.00 N ATOM 0 H ASN C 18 79.523 -5.430 10.982 1.00 0.00 H new ATOM 0 HA ASN C 18 77.053 -4.493 9.739 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.367 -4.084 12.466 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.894 -3.258 11.998 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.369 -6.830 13.576 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.619 -5.642 13.959 1.00 0.00 H new ATOM 290 N GLU C 19 79.409 -2.360 10.697 1.00 0.00 N ATOM 291 CA GLU C 19 80.000 -1.055 10.404 1.00 0.00 C ATOM 292 C GLU C 19 80.145 -0.851 8.899 1.00 0.00 C ATOM 293 O GLU C 19 79.925 0.246 8.385 1.00 0.00 O ATOM 294 CB GLU C 19 81.377 -0.930 11.059 1.00 0.00 C ATOM 295 CG GLU C 19 82.263 -2.094 10.614 1.00 0.00 C ATOM 296 CD GLU C 19 83.168 -1.638 9.474 1.00 0.00 C ATOM 297 OE1 GLU C 19 82.704 -0.872 8.646 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.311 -2.063 9.446 1.00 0.00 O ATOM 0 H GLU C 19 79.793 -2.826 11.519 1.00 0.00 H new ATOM 0 HA GLU C 19 79.334 -0.292 10.807 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.838 0.018 10.782 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.276 -0.930 12.144 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.865 -2.447 11.451 1.00 0.00 H new ATOM 0 HG3 GLU C 19 81.645 -2.932 10.289 1.00 0.00 H new ATOM 305 N PHE C 20 80.519 -1.916 8.199 1.00 0.00 N ATOM 306 CA PHE C 20 80.691 -1.838 6.751 1.00 0.00 C ATOM 307 C PHE C 20 79.414 -1.333 6.087 1.00 0.00 C ATOM 308 O PHE C 20 79.447 -0.437 5.244 1.00 0.00 O ATOM 309 CB PHE C 20 81.041 -3.211 6.177 1.00 0.00 C ATOM 310 CG PHE C 20 82.541 -3.340 6.060 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.293 -2.285 5.531 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.179 -4.514 6.479 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.684 -2.403 5.421 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.569 -4.633 6.369 1.00 0.00 C ATOM 315 CZ PHE C 20 85.322 -3.577 5.840 1.00 0.00 C ATOM 0 H PHE C 20 80.707 -2.833 8.603 1.00 0.00 H new ATOM 0 HA PHE C 20 81.505 -1.142 6.548 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.647 -3.997 6.821 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.577 -3.337 5.199 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.801 -1.380 5.208 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.598 -5.328 6.887 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.265 -1.589 5.013 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.061 -5.539 6.692 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.395 -3.668 5.755 1.00 0.00 H new ATOM 325 N LYS C 21 78.286 -1.921 6.477 1.00 0.00 N ATOM 326 CA LYS C 21 76.998 -1.527 5.912 1.00 0.00 C ATOM 327 C LYS C 21 76.782 -0.026 6.071 1.00 0.00 C ATOM 328 O LYS C 21 76.358 0.656 5.139 1.00 0.00 O ATOM 329 CB LYS C 21 75.860 -2.276 6.607 1.00 0.00 C ATOM 330 CG LYS C 21 76.098 -3.783 6.486 1.00 0.00 C ATOM 331 CD LYS C 21 74.782 -4.483 6.143 1.00 0.00 C ATOM 332 CE LYS C 21 74.550 -5.635 7.121 1.00 0.00 C ATOM 333 NZ LYS C 21 73.666 -5.175 8.228 1.00 0.00 N ATOM 0 H LYS C 21 78.237 -2.664 7.174 1.00 0.00 H new ATOM 0 HA LYS C 21 77.002 -1.779 4.852 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.807 -1.988 7.657 1.00 0.00 H new ATOM 0 HB3 LYS C 21 74.905 -2.010 6.155 1.00 0.00 H new ATOM 0 HG2 LYS C 21 76.841 -3.983 5.714 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.497 -4.175 7.421 1.00 0.00 H new ATOM 0 HD2 LYS C 21 73.956 -3.774 6.196 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.813 -4.860 5.121 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.094 -6.479 6.604 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.502 -5.983 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.508 -5.958 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 74.118 -4.382 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 72.754 -4.863 7.837 1.00 0.00 H new ATOM 347 N ALA C 22 77.084 0.484 7.263 1.00 0.00 N ATOM 348 CA ALA C 22 76.923 1.910 7.530 1.00 0.00 C ATOM 349 C ALA C 22 77.550 2.728 6.407 1.00 0.00 C ATOM 350 O ALA C 22 76.931 3.643 5.865 1.00 0.00 O ATOM 351 CB ALA C 22 77.587 2.287 8.856 1.00 0.00 C ATOM 0 H ALA C 22 77.437 -0.061 8.050 1.00 0.00 H new ATOM 0 HA ALA C 22 75.856 2.126 7.589 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.457 3.354 9.038 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.127 1.722 9.667 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.651 2.054 8.809 1.00 0.00 H new ATOM 357 N ALA C 23 78.788 2.385 6.062 1.00 0.00 N ATOM 358 CA ALA C 23 79.492 3.093 4.998 1.00 0.00 C ATOM 359 C ALA C 23 78.820 2.836 3.654 1.00 0.00 C ATOM 360 O ALA C 23 78.823 3.690 2.769 1.00 0.00 O ATOM 361 CB ALA C 23 80.948 2.641 4.922 1.00 0.00 C ATOM 0 H ALA C 23 79.319 1.631 6.498 1.00 0.00 H new ATOM 0 HA ALA C 23 79.458 4.159 5.225 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.455 3.181 4.122 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.443 2.848 5.871 1.00 0.00 H new ATOM 0 HB3 ALA C 23 80.987 1.571 4.719 1.00 0.00 H new ATOM 367 N PHE C 24 78.237 1.649 3.515 1.00 0.00 N ATOM 368 CA PHE C 24 77.556 1.291 2.275 1.00 0.00 C ATOM 369 C PHE C 24 76.405 2.257 2.019 1.00 0.00 C ATOM 370 O PHE C 24 75.990 2.469 0.880 1.00 0.00 O ATOM 371 CB PHE C 24 77.001 -0.133 2.358 1.00 0.00 C ATOM 372 CG PHE C 24 77.747 -1.026 1.396 1.00 0.00 C ATOM 373 CD1 PHE C 24 77.923 -0.631 0.064 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.261 -2.251 1.836 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.614 -1.462 -0.827 1.00 0.00 C ATOM 376 CE2 PHE C 24 78.950 -3.082 0.946 1.00 0.00 C ATOM 377 CZ PHE C 24 79.127 -2.688 -0.386 1.00 0.00 C ATOM 0 H PHE C 24 78.222 0.927 4.235 1.00 0.00 H new ATOM 0 HA PHE C 24 78.277 1.348 1.460 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.100 -0.514 3.374 1.00 0.00 H new ATOM 0 HB3 PHE C 24 75.937 -0.134 2.120 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.526 0.314 -0.276 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.126 -2.555 2.863 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.751 -1.157 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.345 -4.028 1.286 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.659 -3.329 -1.073 1.00 0.00 H new ATOM 387 N ASP C 25 75.894 2.838 3.102 1.00 0.00 N ATOM 388 CA ASP C 25 74.787 3.784 3.000 1.00 0.00 C ATOM 389 C ASP C 25 75.302 5.195 2.730 1.00 0.00 C ATOM 390 O ASP C 25 74.525 6.147 2.651 1.00 0.00 O ATOM 391 CB ASP C 25 73.971 3.792 4.293 1.00 0.00 C ATOM 392 CG ASP C 25 73.230 2.467 4.438 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.437 2.155 3.565 1.00 0.00 O ATOM 394 OD2 ASP C 25 73.466 1.784 5.421 1.00 0.00 O ATOM 0 H ASP C 25 76.226 2.672 4.052 1.00 0.00 H new ATOM 0 HA ASP C 25 74.155 3.467 2.170 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.628 3.948 5.149 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.260 4.618 4.281 1.00 0.00 H new ATOM 399 N ILE C 26 76.620 5.324 2.585 1.00 0.00 N ATOM 400 CA ILE C 26 77.218 6.630 2.318 1.00 0.00 C ATOM 401 C ILE C 26 77.738 6.682 0.887 1.00 0.00 C ATOM 402 O ILE C 26 77.460 7.623 0.142 1.00 0.00 O ATOM 403 CB ILE C 26 78.382 6.919 3.274 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.281 6.025 4.516 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.332 8.387 3.698 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.160 6.525 5.427 1.00 0.00 C ATOM 0 H ILE C 26 77.285 4.553 2.647 1.00 0.00 H new ATOM 0 HA ILE C 26 76.444 7.382 2.467 1.00 0.00 H new ATOM 0 HB ILE C 26 79.323 6.712 2.765 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.087 4.995 4.218 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.228 6.028 5.055 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.158 8.598 4.378 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.416 9.023 2.817 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.387 8.588 4.202 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.094 5.885 6.307 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.372 7.548 5.737 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.213 6.498 4.887 1.00 0.00 H new ATOM 418 N PHE C 27 78.495 5.656 0.511 1.00 0.00 N ATOM 419 CA PHE C 27 79.053 5.583 -0.835 1.00 0.00 C ATOM 420 C PHE C 27 77.940 5.691 -1.873 1.00 0.00 C ATOM 421 O PHE C 27 78.031 6.466 -2.825 1.00 0.00 O ATOM 422 CB PHE C 27 79.800 4.263 -1.033 1.00 0.00 C ATOM 423 CG PHE C 27 80.988 4.214 -0.101 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.993 5.185 -0.197 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.086 3.199 0.858 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.095 5.140 0.665 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.189 3.154 1.720 1.00 0.00 C ATOM 428 CZ PHE C 27 83.193 4.125 1.624 1.00 0.00 C ATOM 0 H PHE C 27 78.735 4.869 1.114 1.00 0.00 H new ATOM 0 HA PHE C 27 79.749 6.412 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.134 3.423 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.131 4.172 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE C 27 81.918 5.969 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.311 2.451 0.933 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.870 5.889 0.590 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.265 2.370 2.459 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.043 4.091 2.290 1.00 0.00 H new ATOM 438 N VAL C 28 76.884 4.909 -1.672 1.00 0.00 N ATOM 439 CA VAL C 28 75.750 4.927 -2.589 1.00 0.00 C ATOM 440 C VAL C 28 74.569 5.629 -1.934 1.00 0.00 C ATOM 441 O VAL C 28 73.410 5.293 -2.179 1.00 0.00 O ATOM 442 CB VAL C 28 75.340 3.503 -2.971 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.583 2.702 -3.361 1.00 0.00 C ATOM 444 CG2 VAL C 28 74.654 2.830 -1.779 1.00 0.00 C ATOM 0 H VAL C 28 76.790 4.261 -0.890 1.00 0.00 H new ATOM 0 HA VAL C 28 76.047 5.463 -3.490 1.00 0.00 H new ATOM 0 HB VAL C 28 74.650 3.539 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.292 1.688 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.072 3.179 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.273 2.667 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL C 28 74.362 1.816 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL C 28 75.343 2.795 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL C 28 73.768 3.400 -1.500 1.00 0.00 H new ATOM 454 N LEU C 29 74.882 6.609 -1.092 1.00 0.00 N ATOM 455 CA LEU C 29 73.847 7.360 -0.393 1.00 0.00 C ATOM 456 C LEU C 29 72.974 8.127 -1.388 1.00 0.00 C ATOM 457 O LEU C 29 71.917 8.652 -1.036 1.00 0.00 O ATOM 458 CB LEU C 29 74.482 8.329 0.620 1.00 0.00 C ATOM 459 CG LEU C 29 74.816 9.666 -0.052 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.761 10.706 0.331 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.192 10.140 0.419 1.00 0.00 C ATOM 0 H LEU C 29 75.836 6.899 -0.879 1.00 0.00 H new ATOM 0 HA LEU C 29 73.215 6.655 0.147 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.798 8.494 1.452 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.388 7.888 1.035 1.00 0.00 H new ATOM 0 HG LEU C 29 74.824 9.538 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU C 29 73.998 11.657 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU C 29 72.779 10.368 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.754 10.835 1.413 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.432 11.091 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.182 10.269 1.501 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.944 9.399 0.149 1.00 0.00 H new ATOM 473 N GLY C 30 73.430 8.179 -2.636 1.00 0.00 N ATOM 474 CA GLY C 30 72.691 8.876 -3.686 1.00 0.00 C ATOM 475 C GLY C 30 73.017 8.286 -5.054 1.00 0.00 C ATOM 476 O GLY C 30 73.073 8.997 -6.057 1.00 0.00 O ATOM 0 H GLY C 30 74.302 7.750 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.620 8.799 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.942 9.937 -3.672 1.00 0.00 H new ATOM 480 N ALA C 31 73.233 6.974 -5.080 1.00 0.00 N ATOM 481 CA ALA C 31 73.557 6.287 -6.328 1.00 0.00 C ATOM 482 C ALA C 31 72.287 5.833 -7.038 1.00 0.00 C ATOM 483 O ALA C 31 71.178 6.233 -6.681 1.00 0.00 O ATOM 484 CB ALA C 31 74.434 5.064 -6.053 1.00 0.00 C ATOM 0 H ALA C 31 73.190 6.369 -4.260 1.00 0.00 H new ATOM 0 HA ALA C 31 74.096 6.989 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.666 4.564 -6.993 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.360 5.381 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA C 31 73.902 4.375 -5.397 1.00 0.00 H new ATOM 490 N GLU C 32 72.467 4.993 -8.051 1.00 0.00 N ATOM 491 CA GLU C 32 71.337 4.482 -8.819 1.00 0.00 C ATOM 492 C GLU C 32 70.976 3.073 -8.356 1.00 0.00 C ATOM 493 O GLU C 32 69.801 2.728 -8.230 1.00 0.00 O ATOM 494 CB GLU C 32 71.682 4.451 -10.308 1.00 0.00 C ATOM 495 CG GLU C 32 70.548 5.094 -11.111 1.00 0.00 C ATOM 496 CD GLU C 32 70.851 6.574 -11.325 1.00 0.00 C ATOM 497 OE1 GLU C 32 71.102 7.255 -10.345 1.00 0.00 O ATOM 498 OE2 GLU C 32 70.827 7.003 -12.467 1.00 0.00 O ATOM 0 H GLU C 32 73.378 4.653 -8.358 1.00 0.00 H new ATOM 0 HA GLU C 32 70.485 5.143 -8.658 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.616 4.984 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.835 3.423 -10.635 1.00 0.00 H new ATOM 0 HG2 GLU C 32 70.439 4.592 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.602 4.978 -10.581 1.00 0.00 H new ATOM 505 N ASP C 33 72.001 2.264 -8.101 1.00 0.00 N ATOM 506 CA ASP C 33 71.780 0.890 -7.648 1.00 0.00 C ATOM 507 C ASP C 33 72.424 0.675 -6.281 1.00 0.00 C ATOM 508 O ASP C 33 71.761 0.764 -5.248 1.00 0.00 O ATOM 509 CB ASP C 33 72.358 -0.131 -8.641 1.00 0.00 C ATOM 510 CG ASP C 33 73.038 0.585 -9.807 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.356 0.880 -10.774 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.230 0.828 -9.713 1.00 0.00 O ATOM 0 H ASP C 33 72.981 2.529 -8.198 1.00 0.00 H new ATOM 0 HA ASP C 33 70.703 0.738 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.076 -0.775 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.562 -0.774 -9.016 1.00 0.00 H new ATOM 517 N GLY C 34 73.725 0.393 -6.285 1.00 0.00 N ATOM 518 CA GLY C 34 74.446 0.168 -5.035 1.00 0.00 C ATOM 519 C GLY C 34 75.941 0.028 -5.293 1.00 0.00 C ATOM 520 O GLY C 34 76.608 -0.832 -4.719 1.00 0.00 O ATOM 0 H GLY C 34 74.295 0.316 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.266 0.998 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.070 -0.732 -4.549 1.00 0.00 H new ATOM 524 N CYS C 35 76.458 0.886 -6.167 1.00 0.00 N ATOM 525 CA CYS C 35 77.878 0.855 -6.503 1.00 0.00 C ATOM 526 C CYS C 35 78.558 2.142 -6.048 1.00 0.00 C ATOM 527 O CYS C 35 77.913 3.179 -5.890 1.00 0.00 O ATOM 528 CB CYS C 35 78.065 0.699 -8.013 1.00 0.00 C ATOM 529 SG CYS C 35 76.798 -0.415 -8.668 1.00 0.00 S ATOM 0 H CYS C 35 75.921 1.605 -6.652 1.00 0.00 H new ATOM 0 HA CYS C 35 78.329 0.005 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.996 1.671 -8.501 1.00 0.00 H new ATOM 0 HB3 CYS C 35 79.058 0.304 -8.228 1.00 0.00 H new ATOM 0 HG CYS C 35 75.791 0.282 -9.105 1.00 0.00 H new ATOM 535 N ILE C 36 79.869 2.067 -5.842 1.00 0.00 N ATOM 536 CA ILE C 36 80.625 3.237 -5.407 1.00 0.00 C ATOM 537 C ILE C 36 81.407 3.828 -6.574 1.00 0.00 C ATOM 538 O ILE C 36 82.563 3.475 -6.808 1.00 0.00 O ATOM 539 CB ILE C 36 81.604 2.865 -4.293 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.900 1.968 -3.273 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.090 4.138 -3.599 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.841 1.701 -2.097 1.00 0.00 C ATOM 0 H ILE C 36 80.424 1.221 -5.967 1.00 0.00 H new ATOM 0 HA ILE C 36 79.914 3.973 -5.032 1.00 0.00 H new ATOM 0 HB ILE C 36 82.455 2.333 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE C 36 79.986 2.447 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.607 1.028 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.788 3.875 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.591 4.779 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.238 4.668 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.341 1.062 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.742 1.205 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.111 2.646 -1.625 1.00 0.00 H new ATOM 554 N SER C 37 80.765 4.736 -7.301 1.00 0.00 N ATOM 555 CA SER C 37 81.411 5.377 -8.442 1.00 0.00 C ATOM 556 C SER C 37 82.577 6.239 -7.970 1.00 0.00 C ATOM 557 O SER C 37 82.559 6.782 -6.866 1.00 0.00 O ATOM 558 CB SER C 37 80.416 6.255 -9.200 1.00 0.00 C ATOM 559 OG SER C 37 81.121 7.288 -9.875 1.00 0.00 O ATOM 0 H SER C 37 79.808 5.043 -7.124 1.00 0.00 H new ATOM 0 HA SER C 37 81.778 4.595 -9.107 1.00 0.00 H new ATOM 0 HB2 SER C 37 79.855 5.654 -9.916 1.00 0.00 H new ATOM 0 HB3 SER C 37 79.692 6.685 -8.508 1.00 0.00 H new ATOM 0 HG SER C 37 80.486 7.852 -10.364 1.00 0.00 H new ATOM 565 N THR C 38 83.591 6.358 -8.820 1.00 0.00 N ATOM 566 CA THR C 38 84.764 7.157 -8.480 1.00 0.00 C ATOM 567 C THR C 38 84.342 8.476 -7.840 1.00 0.00 C ATOM 568 O THR C 38 84.899 8.898 -6.826 1.00 0.00 O ATOM 569 CB THR C 38 85.594 7.457 -9.731 1.00 0.00 C ATOM 570 OG1 THR C 38 84.969 8.495 -10.472 1.00 0.00 O ATOM 571 CG2 THR C 38 85.696 6.200 -10.596 1.00 0.00 C ATOM 0 H THR C 38 83.626 5.917 -9.739 1.00 0.00 H new ATOM 0 HA THR C 38 85.366 6.583 -7.775 1.00 0.00 H new ATOM 0 HB THR C 38 86.595 7.771 -9.435 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.499 8.690 -11.273 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.287 6.417 -11.485 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.176 5.404 -10.026 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.697 5.881 -10.894 1.00 0.00 H new ATOM 579 N LYS C 39 83.353 9.125 -8.448 1.00 0.00 N ATOM 580 CA LYS C 39 82.862 10.403 -7.935 1.00 0.00 C ATOM 581 C LYS C 39 82.165 10.215 -6.589 1.00 0.00 C ATOM 582 O LYS C 39 82.584 10.771 -5.574 1.00 0.00 O ATOM 583 CB LYS C 39 81.875 11.033 -8.922 1.00 0.00 C ATOM 584 CG LYS C 39 82.601 12.071 -9.781 1.00 0.00 C ATOM 585 CD LYS C 39 81.630 12.650 -10.813 1.00 0.00 C ATOM 586 CE LYS C 39 82.419 13.365 -11.912 1.00 0.00 C ATOM 587 NZ LYS C 39 82.466 14.826 -11.621 1.00 0.00 N ATOM 0 H LYS C 39 82.879 8.793 -9.288 1.00 0.00 H new ATOM 0 HA LYS C 39 83.721 11.061 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.438 10.262 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.054 11.504 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.996 12.868 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.452 11.611 -10.284 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.024 11.853 -11.245 1.00 0.00 H new ATOM 0 HD3 LYS C 39 80.944 13.347 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS C 39 83.430 12.962 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.952 13.191 -12.881 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.002 15.312 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 81.498 15.205 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 82.931 14.983 -10.704 1.00 0.00 H new ATOM 601 N GLU C 40 81.090 9.431 -6.596 1.00 0.00 N ATOM 602 CA GLU C 40 80.329 9.177 -5.373 1.00 0.00 C ATOM 603 C GLU C 40 81.262 8.865 -4.206 1.00 0.00 C ATOM 604 O GLU C 40 80.952 9.155 -3.051 1.00 0.00 O ATOM 605 CB GLU C 40 79.374 8.000 -5.575 1.00 0.00 C ATOM 606 CG GLU C 40 78.141 8.470 -6.350 1.00 0.00 C ATOM 607 CD GLU C 40 77.490 9.635 -5.611 1.00 0.00 C ATOM 608 OE1 GLU C 40 76.860 9.389 -4.597 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.631 10.756 -6.072 1.00 0.00 O ATOM 0 H GLU C 40 80.727 8.963 -7.427 1.00 0.00 H new ATOM 0 HA GLU C 40 79.759 10.077 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.876 7.200 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.076 7.590 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.426 8.777 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU C 40 77.431 7.650 -6.456 1.00 0.00 H new ATOM 616 N LEU C 41 82.406 8.268 -4.521 1.00 0.00 N ATOM 617 CA LEU C 41 83.379 7.917 -3.489 1.00 0.00 C ATOM 618 C LEU C 41 83.984 9.175 -2.873 1.00 0.00 C ATOM 619 O LEU C 41 84.320 9.203 -1.689 1.00 0.00 O ATOM 620 CB LEU C 41 84.500 7.061 -4.084 1.00 0.00 C ATOM 621 CG LEU C 41 85.624 6.903 -3.059 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.129 6.057 -1.885 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.818 6.210 -3.718 1.00 0.00 C ATOM 0 H LEU C 41 82.682 8.019 -5.471 1.00 0.00 H new ATOM 0 HA LEU C 41 82.861 7.351 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.113 6.082 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU C 41 84.884 7.527 -4.991 1.00 0.00 H new ATOM 0 HG LEU C 41 85.927 7.885 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.930 5.944 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.277 6.549 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.827 5.074 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.620 6.096 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.514 5.228 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.171 6.812 -4.556 1.00 0.00 H new ATOM 635 N GLY C 42 84.122 10.213 -3.692 1.00 0.00 N ATOM 636 CA GLY C 42 84.693 11.473 -3.223 1.00 0.00 C ATOM 637 C GLY C 42 83.831 12.091 -2.127 1.00 0.00 C ATOM 638 O GLY C 42 84.327 12.801 -1.253 1.00 0.00 O ATOM 0 H GLY C 42 83.849 10.209 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY C 42 85.700 11.301 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY C 42 84.781 12.169 -4.057 1.00 0.00 H new ATOM 642 N LYS C 43 82.531 11.815 -2.187 1.00 0.00 N ATOM 643 CA LYS C 43 81.601 12.352 -1.197 1.00 0.00 C ATOM 644 C LYS C 43 81.871 11.749 0.180 1.00 0.00 C ATOM 645 O LYS C 43 81.871 12.453 1.191 1.00 0.00 O ATOM 646 CB LYS C 43 80.157 12.048 -1.602 1.00 0.00 C ATOM 647 CG LYS C 43 79.897 12.590 -3.010 1.00 0.00 C ATOM 648 CD LYS C 43 78.730 13.580 -2.972 1.00 0.00 C ATOM 649 CE LYS C 43 79.087 14.757 -2.063 1.00 0.00 C ATOM 650 NZ LYS C 43 79.822 15.788 -2.849 1.00 0.00 N ATOM 0 H LYS C 43 82.101 11.229 -2.902 1.00 0.00 H new ATOM 0 HA LYS C 43 81.747 13.431 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS C 43 79.979 10.973 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS C 43 79.466 12.502 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.792 13.081 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.669 11.769 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.510 13.938 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS C 43 77.831 13.084 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.181 15.188 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS C 43 79.701 14.414 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 80.065 16.588 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 80.693 15.373 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.222 16.123 -3.629 1.00 0.00 H new ATOM 664 N VAL C 44 82.099 10.438 0.210 1.00 0.00 N ATOM 665 CA VAL C 44 82.367 9.750 1.471 1.00 0.00 C ATOM 666 C VAL C 44 83.703 10.204 2.051 1.00 0.00 C ATOM 667 O VAL C 44 83.759 10.789 3.133 1.00 0.00 O ATOM 668 CB VAL C 44 82.400 8.234 1.263 1.00 0.00 C ATOM 669 CG1 VAL C 44 82.779 7.543 2.574 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.016 7.753 0.819 1.00 0.00 C ATOM 0 H VAL C 44 82.104 9.836 -0.614 1.00 0.00 H new ATOM 0 HA VAL C 44 81.565 9.999 2.166 1.00 0.00 H new ATOM 0 HB VAL C 44 83.137 7.990 0.498 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.802 6.464 2.423 1.00 0.00 H new ATOM 0 HG12 VAL C 44 83.763 7.885 2.895 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.043 7.787 3.340 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.037 6.673 0.670 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.282 8.000 1.586 1.00 0.00 H new ATOM 0 HG23 VAL C 44 80.743 8.243 -0.116 1.00 0.00 H new ATOM 680 N MET C 45 84.781 9.932 1.320 1.00 0.00 N ATOM 681 CA MET C 45 86.112 10.325 1.775 1.00 0.00 C ATOM 682 C MET C 45 86.063 11.715 2.397 1.00 0.00 C ATOM 683 O MET C 45 86.535 11.933 3.512 1.00 0.00 O ATOM 684 CB MET C 45 87.099 10.338 0.605 1.00 0.00 C ATOM 685 CG MET C 45 87.400 8.902 0.173 1.00 0.00 C ATOM 686 SD MET C 45 89.125 8.505 0.555 1.00 0.00 S ATOM 687 CE MET C 45 88.855 7.900 2.240 1.00 0.00 C ATOM 0 H MET C 45 84.761 9.448 0.422 1.00 0.00 H new ATOM 0 HA MET C 45 86.444 9.600 2.518 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.681 10.900 -0.230 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.020 10.841 0.899 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.734 8.209 0.687 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.217 8.786 -0.895 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.773 7.449 2.616 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.569 8.732 2.884 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.060 7.154 2.236 1.00 0.00 H new ATOM 697 N ARG C 46 85.482 12.654 1.656 1.00 0.00 N ATOM 698 CA ARG C 46 85.366 14.030 2.133 1.00 0.00 C ATOM 699 C ARG C 46 84.844 14.062 3.567 1.00 0.00 C ATOM 700 O ARG C 46 85.199 14.941 4.352 1.00 0.00 O ATOM 701 CB ARG C 46 84.407 14.823 1.242 1.00 0.00 C ATOM 702 CG ARG C 46 85.202 15.785 0.357 1.00 0.00 C ATOM 703 CD ARG C 46 84.335 16.224 -0.824 1.00 0.00 C ATOM 704 NE ARG C 46 83.611 17.452 -0.505 1.00 0.00 N ATOM 705 CZ ARG C 46 84.188 18.645 -0.632 1.00 0.00 C ATOM 706 NH1 ARG C 46 85.425 18.737 -1.039 1.00 0.00 N ATOM 707 NH2 ARG C 46 83.514 19.726 -0.346 1.00 0.00 N ATOM 0 H ARG C 46 85.087 12.490 0.730 1.00 0.00 H new ATOM 0 HA ARG C 46 86.358 14.480 2.099 1.00 0.00 H new ATOM 0 HB2 ARG C 46 83.823 14.142 0.623 1.00 0.00 H new ATOM 0 HB3 ARG C 46 83.700 15.380 1.857 1.00 0.00 H new ATOM 0 HG2 ARG C 46 85.515 16.654 0.935 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.109 15.299 -0.004 1.00 0.00 H new ATOM 0 HD2 ARG C 46 84.961 16.383 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.628 15.434 -1.076 1.00 0.00 H new ATOM 0 HE ARG C 46 82.646 17.394 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG C 46 85.953 17.893 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG C 46 85.864 19.653 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG C 46 82.548 19.655 -0.026 1.00 0.00 H new ATOM 0 HH22 ARG C 46 83.953 20.641 -0.442 1.00 0.00 H new ATOM 721 N MET C 47 83.992 13.095 3.897 1.00 0.00 N ATOM 722 CA MET C 47 83.419 13.023 5.240 1.00 0.00 C ATOM 723 C MET C 47 84.438 12.475 6.236 1.00 0.00 C ATOM 724 O MET C 47 84.257 12.581 7.449 1.00 0.00 O ATOM 725 CB MET C 47 82.183 12.121 5.248 1.00 0.00 C ATOM 726 CG MET C 47 80.985 12.888 4.688 1.00 0.00 C ATOM 727 SD MET C 47 79.525 12.556 5.704 1.00 0.00 S ATOM 728 CE MET C 47 79.178 10.896 5.072 1.00 0.00 C ATOM 0 H MET C 47 83.685 12.358 3.262 1.00 0.00 H new ATOM 0 HA MET C 47 83.136 14.034 5.533 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.368 11.228 4.650 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.971 11.786 6.263 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.198 13.957 4.677 1.00 0.00 H new ATOM 0 HG3 MET C 47 80.799 12.589 3.656 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.365 10.945 4.348 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.070 10.497 4.589 1.00 0.00 H new ATOM 0 HE3 MET C 47 78.890 10.245 5.898 1.00 0.00 H new ATOM 738 N LEU C 48 85.508 11.885 5.712 1.00 0.00 N ATOM 739 CA LEU C 48 86.546 11.319 6.570 1.00 0.00 C ATOM 740 C LEU C 48 87.814 12.165 6.512 1.00 0.00 C ATOM 741 O LEU C 48 88.925 11.640 6.432 1.00 0.00 O ATOM 742 CB LEU C 48 86.877 9.891 6.136 1.00 0.00 C ATOM 743 CG LEU C 48 85.601 9.046 6.150 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.946 9.082 4.768 1.00 0.00 C ATOM 745 CD2 LEU C 48 85.951 7.601 6.507 1.00 0.00 C ATOM 0 H LEU C 48 85.679 11.786 4.711 1.00 0.00 H new ATOM 0 HA LEU C 48 86.167 11.310 7.592 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.313 9.895 5.137 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.620 9.459 6.806 1.00 0.00 H new ATOM 0 HG LEU C 48 84.909 9.449 6.890 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.038 8.480 4.780 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.696 10.111 4.511 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.637 8.681 4.027 1.00 0.00 H new ATOM 0 HD21 LEU C 48 85.043 6.999 6.517 1.00 0.00 H new ATOM 0 HD22 LEU C 48 86.644 7.201 5.767 1.00 0.00 H new ATOM 0 HD23 LEU C 48 86.417 7.572 7.492 1.00 0.00 H new ATOM 757 N GLY C 49 87.636 13.481 6.558 1.00 0.00 N ATOM 758 CA GLY C 49 88.773 14.397 6.516 1.00 0.00 C ATOM 759 C GLY C 49 89.661 14.109 5.310 1.00 0.00 C ATOM 760 O GLY C 49 90.826 14.504 5.271 1.00 0.00 O ATOM 0 H GLY C 49 86.725 13.935 6.624 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.415 15.425 6.471 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.356 14.302 7.432 1.00 0.00 H new ATOM 764 N GLN C 50 89.095 13.420 4.324 1.00 0.00 N ATOM 765 CA GLN C 50 89.842 13.088 3.115 1.00 0.00 C ATOM 766 C GLN C 50 89.118 13.627 1.889 1.00 0.00 C ATOM 767 O GLN C 50 87.970 13.272 1.623 1.00 0.00 O ATOM 768 CB GLN C 50 90.001 11.573 2.976 1.00 0.00 C ATOM 769 CG GLN C 50 91.327 11.139 3.603 1.00 0.00 C ATOM 770 CD GLN C 50 91.110 9.879 4.433 1.00 0.00 C ATOM 771 OE1 GLN C 50 90.131 9.776 5.173 1.00 0.00 O ATOM 772 NE2 GLN C 50 91.975 8.904 4.355 1.00 0.00 N ATOM 0 H GLN C 50 88.132 13.084 4.337 1.00 0.00 H new ATOM 0 HA GLN C 50 90.829 13.545 3.191 1.00 0.00 H new ATOM 0 HB2 GLN C 50 89.171 11.063 3.465 1.00 0.00 H new ATOM 0 HB3 GLN C 50 89.974 11.289 1.924 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.065 10.951 2.824 1.00 0.00 H new ATOM 0 HG3 GLN C 50 91.723 11.937 4.231 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.786 8.989 3.742 1.00 0.00 H new ATOM 0 HE22 GLN C 50 91.840 8.057 4.907 1.00 0.00 H new ATOM 781 N ASN C 51 89.800 14.493 1.147 1.00 0.00 N ATOM 782 CA ASN C 51 89.209 15.083 -0.049 1.00 0.00 C ATOM 783 C ASN C 51 90.035 14.738 -1.284 1.00 0.00 C ATOM 784 O ASN C 51 90.889 15.513 -1.715 1.00 0.00 O ATOM 785 CB ASN C 51 89.134 16.605 0.089 1.00 0.00 C ATOM 786 CG ASN C 51 88.659 17.211 -1.226 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.465 17.201 -1.526 1.00 0.00 O ATOM 788 ND2 ASN C 51 89.532 17.742 -2.038 1.00 0.00 N ATOM 0 H ASN C 51 90.752 14.799 1.349 1.00 0.00 H new ATOM 0 HA ASN C 51 88.204 14.676 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.450 16.875 0.894 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.112 17.006 0.354 1.00 0.00 H new ATOM 0 HD21 ASN C 51 89.225 18.149 -2.922 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.521 17.750 -1.789 1.00 0.00 H new ATOM 795 N PRO C 52 89.777 13.569 -1.864 1.00 0.00 N ATOM 796 CA PRO C 52 90.490 13.107 -3.067 1.00 0.00 C ATOM 797 C PRO C 52 89.938 13.737 -4.344 1.00 0.00 C ATOM 798 O PRO C 52 89.217 14.734 -4.297 1.00 0.00 O ATOM 799 CB PRO C 52 90.226 11.606 -3.040 1.00 0.00 C ATOM 800 CG PRO C 52 88.952 11.393 -2.229 1.00 0.00 C ATOM 801 CD PRO C 52 88.755 12.636 -1.355 1.00 0.00 C ATOM 0 HA PRO C 52 91.547 13.375 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.109 11.217 -4.051 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.064 11.075 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.096 11.248 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.034 10.498 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO C 52 87.750 13.045 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO C 52 88.903 12.413 -0.298 1.00 0.00 H new ATOM 809 N THR C 53 90.282 13.146 -5.483 1.00 0.00 N ATOM 810 CA THR C 53 89.812 13.661 -6.766 1.00 0.00 C ATOM 811 C THR C 53 89.221 12.535 -7.607 1.00 0.00 C ATOM 812 O THR C 53 89.300 11.361 -7.244 1.00 0.00 O ATOM 813 CB THR C 53 90.965 14.310 -7.538 1.00 0.00 C ATOM 814 OG1 THR C 53 92.178 14.117 -6.824 1.00 0.00 O ATOM 815 CG2 THR C 53 90.698 15.808 -7.698 1.00 0.00 C ATOM 0 H THR C 53 90.877 12.320 -5.546 1.00 0.00 H new ATOM 0 HA THR C 53 89.043 14.408 -6.568 1.00 0.00 H new ATOM 0 HB THR C 53 91.045 13.852 -8.524 1.00 0.00 H new ATOM 0 HG1 THR C 53 92.917 14.530 -7.317 1.00 0.00 H new ATOM 0 HG21 THR C 53 91.520 16.267 -8.247 1.00 0.00 H new ATOM 0 HG22 THR C 53 89.768 15.955 -8.246 1.00 0.00 H new ATOM 0 HG23 THR C 53 90.616 16.270 -6.714 1.00 0.00 H new ATOM 823 N PRO C 54 88.627 12.889 -8.743 1.00 0.00 N ATOM 824 CA PRO C 54 88.015 11.909 -9.657 1.00 0.00 C ATOM 825 C PRO C 54 89.053 11.220 -10.538 1.00 0.00 C ATOM 826 O PRO C 54 88.806 10.153 -11.100 1.00 0.00 O ATOM 827 CB PRO C 54 87.082 12.781 -10.488 1.00 0.00 C ATOM 828 CG PRO C 54 87.628 14.203 -10.425 1.00 0.00 C ATOM 829 CD PRO C 54 88.531 14.291 -9.189 1.00 0.00 C ATOM 0 HA PRO C 54 87.514 11.094 -9.136 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.041 12.429 -11.519 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.065 12.740 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.190 14.439 -11.329 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.814 14.925 -10.358 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.510 14.704 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.099 14.930 -8.419 1.00 0.00 H new ATOM 837 N GLU C 55 90.222 11.845 -10.643 1.00 0.00 N ATOM 838 CA GLU C 55 91.305 11.290 -11.448 1.00 0.00 C ATOM 839 C GLU C 55 92.122 10.305 -10.618 1.00 0.00 C ATOM 840 O GLU C 55 92.733 9.379 -11.150 1.00 0.00 O ATOM 841 CB GLU C 55 92.225 12.404 -11.953 1.00 0.00 C ATOM 842 CG GLU C 55 92.900 13.087 -10.762 1.00 0.00 C ATOM 843 CD GLU C 55 93.967 14.055 -11.266 1.00 0.00 C ATOM 844 OE1 GLU C 55 94.038 14.255 -12.467 1.00 0.00 O ATOM 845 OE2 GLU C 55 94.696 14.582 -10.442 1.00 0.00 O ATOM 0 H GLU C 55 90.443 12.729 -10.185 1.00 0.00 H new ATOM 0 HA GLU C 55 90.865 10.774 -12.302 1.00 0.00 H new ATOM 0 HB2 GLU C 55 92.978 11.992 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU C 55 91.651 13.132 -12.526 1.00 0.00 H new ATOM 0 HG2 GLU C 55 92.159 13.623 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU C 55 93.351 12.340 -10.109 1.00 0.00 H new ATOM 852 N GLU C 56 92.122 10.518 -9.305 1.00 0.00 N ATOM 853 CA GLU C 56 92.864 9.645 -8.402 1.00 0.00 C ATOM 854 C GLU C 56 91.984 8.486 -7.943 1.00 0.00 C ATOM 855 O GLU C 56 92.345 7.319 -8.091 1.00 0.00 O ATOM 856 CB GLU C 56 93.345 10.423 -7.175 1.00 0.00 C ATOM 857 CG GLU C 56 94.734 11.004 -7.449 1.00 0.00 C ATOM 858 CD GLU C 56 95.766 10.288 -6.586 1.00 0.00 C ATOM 859 OE1 GLU C 56 96.100 9.160 -6.909 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.208 10.877 -5.613 1.00 0.00 O ATOM 0 H GLU C 56 91.622 11.280 -8.847 1.00 0.00 H new ATOM 0 HA GLU C 56 93.727 9.256 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.644 11.224 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.379 9.766 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU C 56 94.985 10.891 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.742 12.072 -7.232 1.00 0.00 H new ATOM 867 N LEU C 57 90.823 8.822 -7.386 1.00 0.00 N ATOM 868 CA LEU C 57 89.897 7.798 -6.911 1.00 0.00 C ATOM 869 C LEU C 57 89.818 6.652 -7.912 1.00 0.00 C ATOM 870 O LEU C 57 89.873 5.480 -7.542 1.00 0.00 O ATOM 871 CB LEU C 57 88.497 8.383 -6.715 1.00 0.00 C ATOM 872 CG LEU C 57 88.479 9.263 -5.465 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.103 9.916 -5.320 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.768 8.404 -4.231 1.00 0.00 C ATOM 0 H LEU C 57 90.504 9.782 -7.254 1.00 0.00 H new ATOM 0 HA LEU C 57 90.269 7.427 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.211 8.969 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.767 7.580 -6.617 1.00 0.00 H new ATOM 0 HG LEU C 57 89.241 10.037 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.090 10.543 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU C 57 86.896 10.528 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.341 9.142 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.755 9.031 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU C 57 88.006 7.629 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.748 7.939 -4.333 1.00 0.00 H new ATOM 886 N GLN C 58 89.691 7.006 -9.188 1.00 0.00 N ATOM 887 CA GLN C 58 89.608 5.998 -10.240 1.00 0.00 C ATOM 888 C GLN C 58 90.571 4.853 -9.949 1.00 0.00 C ATOM 889 O GLN C 58 90.184 3.684 -9.939 1.00 0.00 O ATOM 890 CB GLN C 58 89.953 6.610 -11.599 1.00 0.00 C ATOM 891 CG GLN C 58 89.815 5.544 -12.687 1.00 0.00 C ATOM 892 CD GLN C 58 88.348 5.402 -13.080 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.681 6.393 -13.377 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.800 4.217 -13.098 1.00 0.00 N ATOM 0 H GLN C 58 89.644 7.971 -9.516 1.00 0.00 H new ATOM 0 HA GLN C 58 88.586 5.619 -10.266 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.290 7.449 -11.811 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.970 7.002 -11.586 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.410 5.819 -13.558 1.00 0.00 H new ATOM 0 HG3 GLN C 58 90.200 4.590 -12.327 1.00 0.00 H new ATOM 0 HE21 GLN C 58 88.353 3.396 -12.852 1.00 0.00 H new ATOM 0 HE22 GLN C 58 86.819 4.113 -13.358 1.00 0.00 H new ATOM 903 N GLU C 59 91.832 5.202 -9.706 1.00 0.00 N ATOM 904 CA GLU C 59 92.846 4.195 -9.408 1.00 0.00 C ATOM 905 C GLU C 59 92.312 3.203 -8.380 1.00 0.00 C ATOM 906 O GLU C 59 92.373 1.989 -8.575 1.00 0.00 O ATOM 907 CB GLU C 59 94.111 4.855 -8.855 1.00 0.00 C ATOM 908 CG GLU C 59 94.559 5.972 -9.800 1.00 0.00 C ATOM 909 CD GLU C 59 95.973 6.412 -9.436 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.675 5.630 -8.817 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.332 7.526 -9.781 1.00 0.00 O ATOM 0 H GLU C 59 92.173 6.163 -9.709 1.00 0.00 H new ATOM 0 HA GLU C 59 93.089 3.671 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.918 5.260 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.904 4.114 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.530 5.623 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU C 59 93.875 6.818 -9.730 1.00 0.00 H new ATOM 918 N MET C 60 91.782 3.739 -7.283 1.00 0.00 N ATOM 919 CA MET C 60 91.230 2.897 -6.226 1.00 0.00 C ATOM 920 C MET C 60 90.112 2.023 -6.782 1.00 0.00 C ATOM 921 O MET C 60 89.740 1.009 -6.190 1.00 0.00 O ATOM 922 CB MET C 60 90.670 3.759 -5.091 1.00 0.00 C ATOM 923 CG MET C 60 91.825 4.393 -4.314 1.00 0.00 C ATOM 924 SD MET C 60 91.221 5.834 -3.399 1.00 0.00 S ATOM 925 CE MET C 60 90.462 4.936 -2.023 1.00 0.00 C ATOM 0 H MET C 60 91.723 4.741 -7.104 1.00 0.00 H new ATOM 0 HA MET C 60 92.032 2.268 -5.840 1.00 0.00 H new ATOM 0 HB2 MET C 60 90.021 4.535 -5.496 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.060 3.149 -4.424 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.256 3.666 -3.625 1.00 0.00 H new ATOM 0 HG3 MET C 60 92.618 4.691 -5.000 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.020 5.647 -1.325 1.00 0.00 H new ATOM 0 HE2 MET C 60 89.686 4.272 -2.405 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.222 4.347 -1.509 1.00 0.00 H new ATOM 935 N ILE C 61 89.583 2.430 -7.933 1.00 0.00 N ATOM 936 CA ILE C 61 88.507 1.683 -8.576 1.00 0.00 C ATOM 937 C ILE C 61 89.080 0.539 -9.402 1.00 0.00 C ATOM 938 O ILE C 61 88.642 -0.605 -9.293 1.00 0.00 O ATOM 939 CB ILE C 61 87.694 2.600 -9.489 1.00 0.00 C ATOM 940 CG1 ILE C 61 87.336 3.879 -8.729 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.413 1.887 -9.924 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.405 3.539 -7.564 1.00 0.00 C ATOM 0 H ILE C 61 89.879 3.266 -8.436 1.00 0.00 H new ATOM 0 HA ILE C 61 87.859 1.281 -7.797 1.00 0.00 H new ATOM 0 HB ILE C 61 88.282 2.851 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE C 61 88.241 4.358 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.852 4.589 -9.399 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.835 2.543 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.669 0.975 -10.463 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.821 1.635 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.151 4.451 -7.023 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.495 3.079 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.905 2.845 -6.889 1.00 0.00 H new ATOM 954 N ASP C 62 90.070 0.863 -10.229 1.00 0.00 N ATOM 955 CA ASP C 62 90.705 -0.145 -11.071 1.00 0.00 C ATOM 956 C ASP C 62 90.884 -1.443 -10.293 1.00 0.00 C ATOM 957 O ASP C 62 90.812 -2.536 -10.853 1.00 0.00 O ATOM 958 CB ASP C 62 92.073 0.342 -11.550 1.00 0.00 C ATOM 959 CG ASP C 62 91.909 1.138 -12.840 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.795 0.518 -13.884 1.00 0.00 O ATOM 961 OD2 ASP C 62 91.898 2.355 -12.765 1.00 0.00 O ATOM 0 H ASP C 62 90.446 1.805 -10.334 1.00 0.00 H new ATOM 0 HA ASP C 62 90.062 -0.321 -11.934 1.00 0.00 H new ATOM 0 HB2 ASP C 62 92.538 0.963 -10.784 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.735 -0.508 -11.717 1.00 0.00 H new ATOM 966 N GLU C 63 91.115 -1.308 -8.990 1.00 0.00 N ATOM 967 CA GLU C 63 91.300 -2.477 -8.135 1.00 0.00 C ATOM 968 C GLU C 63 90.052 -3.354 -8.165 1.00 0.00 C ATOM 969 O GLU C 63 90.124 -4.554 -8.428 1.00 0.00 O ATOM 970 CB GLU C 63 91.574 -2.050 -6.690 1.00 0.00 C ATOM 971 CG GLU C 63 92.446 -0.793 -6.682 1.00 0.00 C ATOM 972 CD GLU C 63 93.503 -0.913 -5.589 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.134 -1.216 -4.467 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.666 -0.699 -5.891 1.00 0.00 O ATOM 0 H GLU C 63 91.178 -0.412 -8.507 1.00 0.00 H new ATOM 0 HA GLU C 63 92.154 -3.040 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.634 -1.856 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.074 -2.855 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.925 -0.664 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.829 0.089 -6.511 1.00 0.00 H new ATOM 981 N VAL C 64 88.905 -2.737 -7.892 1.00 0.00 N ATOM 982 CA VAL C 64 87.641 -3.467 -7.890 1.00 0.00 C ATOM 983 C VAL C 64 87.026 -3.475 -9.287 1.00 0.00 C ATOM 984 O VAL C 64 86.125 -4.260 -9.581 1.00 0.00 O ATOM 985 CB VAL C 64 86.655 -2.831 -6.905 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.374 -2.526 -5.590 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.100 -1.528 -7.490 1.00 0.00 C ATOM 0 H VAL C 64 88.825 -1.744 -7.672 1.00 0.00 H new ATOM 0 HA VAL C 64 87.844 -4.492 -7.582 1.00 0.00 H new ATOM 0 HB VAL C 64 85.834 -3.525 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.673 -2.073 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.765 -3.451 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.197 -1.836 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.400 -1.082 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.920 -0.834 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.585 -1.740 -8.427 1.00 0.00 H new ATOM 997 N ASP C 65 87.525 -2.587 -10.144 1.00 0.00 N ATOM 998 CA ASP C 65 87.019 -2.495 -11.511 1.00 0.00 C ATOM 999 C ASP C 65 87.786 -3.441 -12.430 1.00 0.00 C ATOM 1000 O ASP C 65 88.299 -3.035 -13.472 1.00 0.00 O ATOM 1001 CB ASP C 65 87.160 -1.066 -12.041 1.00 0.00 C ATOM 1002 CG ASP C 65 85.778 -0.482 -12.313 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.835 -0.917 -11.673 1.00 0.00 O ATOM 1004 OD2 ASP C 65 85.683 0.393 -13.158 1.00 0.00 O ATOM 0 H ASP C 65 88.271 -1.928 -9.920 1.00 0.00 H new ATOM 0 HA ASP C 65 85.966 -2.775 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.690 -0.449 -11.315 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.753 -1.063 -12.955 1.00 0.00 H new ATOM 1009 N GLU C 66 87.854 -4.709 -12.035 1.00 0.00 N ATOM 1010 CA GLU C 66 88.557 -5.707 -12.837 1.00 0.00 C ATOM 1011 C GLU C 66 87.772 -6.018 -14.110 1.00 0.00 C ATOM 1012 O GLU C 66 88.251 -6.728 -14.993 1.00 0.00 O ATOM 1013 CB GLU C 66 88.745 -7.000 -12.040 1.00 0.00 C ATOM 1014 CG GLU C 66 90.226 -7.180 -11.698 1.00 0.00 C ATOM 1015 CD GLU C 66 90.372 -8.242 -10.614 1.00 0.00 C ATOM 1016 OE1 GLU C 66 90.106 -9.397 -10.904 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.749 -7.886 -9.510 1.00 0.00 O ATOM 0 H GLU C 66 87.437 -5.067 -11.176 1.00 0.00 H new ATOM 0 HA GLU C 66 89.532 -5.299 -13.101 1.00 0.00 H new ATOM 0 HB2 GLU C 66 88.152 -6.966 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.389 -7.852 -12.620 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.782 -7.474 -12.588 1.00 0.00 H new ATOM 0 HG3 GLU C 66 90.649 -6.235 -11.356 1.00 0.00 H new ATOM 1024 N ASP C 67 86.558 -5.475 -14.194 1.00 0.00 N ATOM 1025 CA ASP C 67 85.710 -5.698 -15.363 1.00 0.00 C ATOM 1026 C ASP C 67 85.579 -4.413 -16.175 1.00 0.00 C ATOM 1027 O ASP C 67 85.163 -4.433 -17.333 1.00 0.00 O ATOM 1028 CB ASP C 67 84.314 -6.163 -14.938 1.00 0.00 C ATOM 1029 CG ASP C 67 84.002 -5.644 -13.537 1.00 0.00 C ATOM 1030 OD1 ASP C 67 84.324 -4.500 -13.266 1.00 0.00 O ATOM 1031 OD2 ASP C 67 83.447 -6.400 -12.757 1.00 0.00 O ATOM 0 H ASP C 67 86.143 -4.883 -13.474 1.00 0.00 H new ATOM 0 HA ASP C 67 86.177 -6.471 -15.973 1.00 0.00 H new ATOM 0 HB2 ASP C 67 83.568 -5.799 -15.645 1.00 0.00 H new ATOM 0 HB3 ASP C 67 84.263 -7.252 -14.952 1.00 0.00 H new ATOM 1036 N GLY C 68 85.944 -3.295 -15.553 1.00 0.00 N ATOM 1037 CA GLY C 68 85.870 -2.001 -16.224 1.00 0.00 C ATOM 1038 C GLY C 68 84.452 -1.437 -16.180 1.00 0.00 C ATOM 1039 O GLY C 68 84.160 -0.411 -16.794 1.00 0.00 O ATOM 0 H GLY C 68 86.291 -3.259 -14.594 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.557 -1.302 -15.748 1.00 0.00 H new ATOM 0 HA3 GLY C 68 86.190 -2.107 -17.261 1.00 0.00 H new ATOM 1043 N SER C 69 83.574 -2.115 -15.446 1.00 0.00 N ATOM 1044 CA SER C 69 82.191 -1.664 -15.333 1.00 0.00 C ATOM 1045 C SER C 69 82.142 -0.146 -15.200 1.00 0.00 C ATOM 1046 O SER C 69 81.366 0.528 -15.878 1.00 0.00 O ATOM 1047 CB SER C 69 81.518 -2.293 -14.113 1.00 0.00 C ATOM 1048 OG SER C 69 81.850 -1.541 -12.954 1.00 0.00 O ATOM 0 H SER C 69 83.791 -2.966 -14.928 1.00 0.00 H new ATOM 0 HA SER C 69 81.660 -1.971 -16.234 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.437 -2.313 -14.250 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.844 -3.326 -13.996 1.00 0.00 H new ATOM 0 HG SER C 69 81.726 -2.097 -12.157 1.00 0.00 H new ATOM 1054 N GLY C 70 82.986 0.384 -14.319 1.00 0.00 N ATOM 1055 CA GLY C 70 83.039 1.827 -14.102 1.00 0.00 C ATOM 1056 C GLY C 70 82.518 2.191 -12.714 1.00 0.00 C ATOM 1057 O GLY C 70 82.596 3.344 -12.291 1.00 0.00 O ATOM 0 H GLY C 70 83.636 -0.157 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.065 2.178 -14.213 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.445 2.335 -14.862 1.00 0.00 H new ATOM 1061 N THR C 71 81.984 1.196 -12.010 1.00 0.00 N ATOM 1062 CA THR C 71 81.452 1.429 -10.670 1.00 0.00 C ATOM 1063 C THR C 71 81.839 0.290 -9.733 1.00 0.00 C ATOM 1064 O THR C 71 82.312 -0.760 -10.169 1.00 0.00 O ATOM 1065 CB THR C 71 79.926 1.545 -10.710 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.379 0.363 -11.279 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.526 2.755 -11.556 1.00 0.00 C ATOM 0 H THR C 71 81.908 0.233 -12.339 1.00 0.00 H new ATOM 0 HA THR C 71 81.877 2.362 -10.300 1.00 0.00 H new ATOM 0 HB THR C 71 79.543 1.672 -9.697 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.657 0.028 -10.707 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.439 2.836 -11.584 1.00 0.00 H new ATOM 0 HG22 THR C 71 79.947 3.660 -11.118 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.907 2.632 -12.570 1.00 0.00 H new ATOM 1075 N VAL C 72 81.632 0.512 -8.439 1.00 0.00 N ATOM 1076 CA VAL C 72 81.963 -0.497 -7.437 1.00 0.00 C ATOM 1077 C VAL C 72 80.695 -1.033 -6.779 1.00 0.00 C ATOM 1078 O VAL C 72 80.323 -0.613 -5.683 1.00 0.00 O ATOM 1079 CB VAL C 72 82.866 0.100 -6.357 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.364 -1.011 -5.431 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.063 0.788 -7.019 1.00 0.00 C ATOM 0 H VAL C 72 81.240 1.374 -8.061 1.00 0.00 H new ATOM 0 HA VAL C 72 82.484 -1.311 -7.940 1.00 0.00 H new ATOM 0 HB VAL C 72 82.302 0.829 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.007 -0.583 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.512 -1.501 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.928 -1.742 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.708 1.214 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.626 0.058 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.709 1.582 -7.677 1.00 0.00 H new ATOM 1091 N ASP C 73 80.036 -1.967 -7.460 1.00 0.00 N ATOM 1092 CA ASP C 73 78.809 -2.556 -6.931 1.00 0.00 C ATOM 1093 C ASP C 73 79.013 -2.995 -5.483 1.00 0.00 C ATOM 1094 O ASP C 73 80.079 -2.797 -4.899 1.00 0.00 O ATOM 1095 CB ASP C 73 78.390 -3.767 -7.768 1.00 0.00 C ATOM 1096 CG ASP C 73 79.609 -4.640 -8.051 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.377 -4.282 -8.928 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.754 -5.652 -7.387 1.00 0.00 O ATOM 0 H ASP C 73 80.326 -2.329 -8.368 1.00 0.00 H new ATOM 0 HA ASP C 73 78.025 -1.800 -6.975 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.632 -4.344 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.941 -3.437 -8.705 1.00 0.00 H new ATOM 1103 N PHE C 74 77.971 -3.592 -4.912 1.00 0.00 N ATOM 1104 CA PHE C 74 78.022 -4.060 -3.529 1.00 0.00 C ATOM 1105 C PHE C 74 78.766 -5.398 -3.438 1.00 0.00 C ATOM 1106 O PHE C 74 78.845 -6.012 -2.374 1.00 0.00 O ATOM 1107 CB PHE C 74 76.590 -4.212 -2.987 1.00 0.00 C ATOM 1108 CG PHE C 74 76.572 -5.098 -1.762 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.772 -4.545 -0.492 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.353 -6.474 -1.900 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.754 -5.369 0.641 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.334 -7.297 -0.767 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.535 -6.745 0.503 1.00 0.00 C ATOM 0 H PHE C 74 77.083 -3.763 -5.383 1.00 0.00 H new ATOM 0 HA PHE C 74 78.562 -3.329 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.184 -3.231 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.947 -4.637 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.940 -3.484 -0.385 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.199 -6.901 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.909 -4.943 1.621 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.164 -8.358 -0.874 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.521 -7.380 1.376 1.00 0.00 H new ATOM 1123 N ASP C 75 79.312 -5.847 -4.566 1.00 0.00 N ATOM 1124 CA ASP C 75 80.037 -7.116 -4.591 1.00 0.00 C ATOM 1125 C ASP C 75 81.549 -6.893 -4.592 1.00 0.00 C ATOM 1126 O ASP C 75 82.318 -7.783 -4.229 1.00 0.00 O ATOM 1127 CB ASP C 75 79.658 -7.925 -5.835 1.00 0.00 C ATOM 1128 CG ASP C 75 78.226 -7.597 -6.243 1.00 0.00 C ATOM 1129 OD1 ASP C 75 77.368 -7.601 -5.375 1.00 0.00 O ATOM 1130 OD2 ASP C 75 78.008 -7.345 -7.417 1.00 0.00 O ATOM 0 H ASP C 75 79.268 -5.361 -5.461 1.00 0.00 H new ATOM 0 HA ASP C 75 79.759 -7.665 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP C 75 80.341 -7.695 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP C 75 79.753 -8.991 -5.630 1.00 0.00 H new ATOM 1135 N GLU C 76 81.972 -5.704 -5.015 1.00 0.00 N ATOM 1136 CA GLU C 76 83.403 -5.397 -5.068 1.00 0.00 C ATOM 1137 C GLU C 76 83.865 -4.718 -3.781 1.00 0.00 C ATOM 1138 O GLU C 76 84.877 -5.097 -3.193 1.00 0.00 O ATOM 1139 CB GLU C 76 83.739 -4.479 -6.256 1.00 0.00 C ATOM 1140 CG GLU C 76 82.525 -4.323 -7.181 1.00 0.00 C ATOM 1141 CD GLU C 76 83.001 -4.140 -8.617 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.404 -3.039 -8.952 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.954 -5.105 -9.363 1.00 0.00 O ATOM 0 H GLU C 76 81.359 -4.948 -5.321 1.00 0.00 H new ATOM 0 HA GLU C 76 83.924 -6.347 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.051 -3.501 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.578 -4.892 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.884 -5.201 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU C 76 81.927 -3.465 -6.873 1.00 0.00 H new ATOM 1150 N PHE C 77 83.118 -3.704 -3.355 1.00 0.00 N ATOM 1151 CA PHE C 77 83.467 -2.970 -2.139 1.00 0.00 C ATOM 1152 C PHE C 77 84.013 -3.913 -1.070 1.00 0.00 C ATOM 1153 O PHE C 77 85.220 -3.974 -0.835 1.00 0.00 O ATOM 1154 CB PHE C 77 82.243 -2.245 -1.580 1.00 0.00 C ATOM 1155 CG PHE C 77 82.605 -1.588 -0.269 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.469 -0.486 -0.252 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.076 -2.080 0.931 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.804 0.123 0.963 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.411 -1.471 2.146 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.275 -0.369 2.162 1.00 0.00 C ATOM 0 H PHE C 77 82.276 -3.373 -3.826 1.00 0.00 H new ATOM 0 HA PHE C 77 84.235 -2.243 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.894 -1.496 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.425 -2.950 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.877 -0.106 -1.177 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.409 -2.930 0.919 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.471 0.973 0.975 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.003 -1.851 3.071 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.533 0.101 3.099 1.00 0.00 H new ATOM 1170 N LEU C 78 83.105 -4.637 -0.418 1.00 0.00 N ATOM 1171 CA LEU C 78 83.491 -5.572 0.640 1.00 0.00 C ATOM 1172 C LEU C 78 84.844 -6.212 0.337 1.00 0.00 C ATOM 1173 O LEU C 78 85.848 -5.901 0.977 1.00 0.00 O ATOM 1174 CB LEU C 78 82.438 -6.672 0.790 1.00 0.00 C ATOM 1175 CG LEU C 78 81.202 -6.103 1.491 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.029 -7.070 1.324 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.499 -5.917 2.981 1.00 0.00 C ATOM 0 H LEU C 78 82.102 -4.596 -0.601 1.00 0.00 H new ATOM 0 HA LEU C 78 83.565 -5.008 1.570 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.165 -7.065 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU C 78 82.845 -7.504 1.365 1.00 0.00 H new ATOM 0 HG LEU C 78 80.946 -5.141 1.048 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.149 -6.664 1.823 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.815 -7.203 0.263 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.285 -8.033 1.766 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.619 -5.512 3.480 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.756 -6.879 3.424 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.334 -5.227 3.102 1.00 0.00 H new ATOM 1189 N VAL C 79 84.860 -7.110 -0.644 1.00 0.00 N ATOM 1190 CA VAL C 79 86.098 -7.788 -1.020 1.00 0.00 C ATOM 1191 C VAL C 79 87.255 -6.795 -1.064 1.00 0.00 C ATOM 1192 O VAL C 79 88.391 -7.129 -0.731 1.00 0.00 O ATOM 1193 CB VAL C 79 85.955 -8.447 -2.391 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.216 -9.252 -2.707 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.743 -9.381 -2.380 1.00 0.00 C ATOM 0 H VAL C 79 84.041 -7.383 -1.187 1.00 0.00 H new ATOM 0 HA VAL C 79 86.302 -8.553 -0.271 1.00 0.00 H new ATOM 0 HB VAL C 79 85.817 -7.678 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.112 -9.721 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.080 -8.587 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.356 -10.022 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.638 -9.853 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.882 -10.149 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.844 -8.807 -2.156 1.00 0.00 H new ATOM 1205 N MET C 80 86.952 -5.569 -1.475 1.00 0.00 N ATOM 1206 CA MET C 80 87.978 -4.534 -1.550 1.00 0.00 C ATOM 1207 C MET C 80 88.395 -4.117 -0.145 1.00 0.00 C ATOM 1208 O MET C 80 89.583 -4.027 0.167 1.00 0.00 O ATOM 1209 CB MET C 80 87.457 -3.308 -2.304 1.00 0.00 C ATOM 1210 CG MET C 80 88.612 -2.643 -3.057 1.00 0.00 C ATOM 1211 SD MET C 80 89.950 -2.265 -1.899 1.00 0.00 S ATOM 1212 CE MET C 80 89.626 -0.491 -1.743 1.00 0.00 C ATOM 0 H MET C 80 86.019 -5.269 -1.758 1.00 0.00 H new ATOM 0 HA MET C 80 88.836 -4.941 -2.086 1.00 0.00 H new ATOM 0 HB2 MET C 80 86.675 -3.603 -3.003 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.009 -2.601 -1.605 1.00 0.00 H new ATOM 0 HG2 MET C 80 88.974 -3.303 -3.845 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.267 -1.729 -3.541 1.00 0.00 H new ATOM 0 HE1 MET C 80 90.010 -0.134 -0.787 1.00 0.00 H new ATOM 0 HE2 MET C 80 90.121 0.042 -2.555 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.552 -0.312 -1.793 1.00 0.00 H new ATOM 1222 N MET C 81 87.401 -3.872 0.705 1.00 0.00 N ATOM 1223 CA MET C 81 87.673 -3.474 2.082 1.00 0.00 C ATOM 1224 C MET C 81 88.580 -4.498 2.753 1.00 0.00 C ATOM 1225 O MET C 81 89.427 -4.154 3.575 1.00 0.00 O ATOM 1226 CB MET C 81 86.371 -3.364 2.880 1.00 0.00 C ATOM 1227 CG MET C 81 85.482 -2.283 2.265 1.00 0.00 C ATOM 1228 SD MET C 81 86.367 -0.706 2.263 1.00 0.00 S ATOM 1229 CE MET C 81 87.050 -0.835 0.593 1.00 0.00 C ATOM 0 H MET C 81 86.411 -3.941 0.468 1.00 0.00 H new ATOM 0 HA MET C 81 88.165 -2.501 2.062 1.00 0.00 H new ATOM 0 HB2 MET C 81 85.850 -4.321 2.879 1.00 0.00 H new ATOM 0 HB3 MET C 81 86.589 -3.121 3.920 1.00 0.00 H new ATOM 0 HG2 MET C 81 85.206 -2.559 1.247 1.00 0.00 H new ATOM 0 HG3 MET C 81 84.556 -2.192 2.833 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.134 0.160 0.157 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.037 -1.296 0.638 1.00 0.00 H new ATOM 0 HE3 MET C 81 86.391 -1.447 -0.023 1.00 0.00 H new ATOM 1239 N VAL C 82 88.388 -5.764 2.394 1.00 0.00 N ATOM 1240 CA VAL C 82 89.191 -6.840 2.968 1.00 0.00 C ATOM 1241 C VAL C 82 90.453 -7.073 2.140 1.00 0.00 C ATOM 1242 O VAL C 82 91.502 -7.444 2.668 1.00 0.00 O ATOM 1243 CB VAL C 82 88.373 -8.137 3.035 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.381 -8.846 1.676 1.00 0.00 C ATOM 1245 CG2 VAL C 82 88.977 -9.061 4.095 1.00 0.00 C ATOM 0 H VAL C 82 87.690 -6.069 1.715 1.00 0.00 H new ATOM 0 HA VAL C 82 89.481 -6.545 3.976 1.00 0.00 H new ATOM 0 HB VAL C 82 87.344 -7.893 3.297 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.797 -9.764 1.741 1.00 0.00 H new ATOM 0 HG12 VAL C 82 87.945 -8.191 0.921 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.407 -9.088 1.398 1.00 0.00 H new ATOM 0 HG21 VAL C 82 88.399 -9.984 4.146 1.00 0.00 H new ATOM 0 HG22 VAL C 82 90.008 -9.293 3.830 1.00 0.00 H new ATOM 0 HG23 VAL C 82 88.955 -8.565 5.065 1.00 0.00 H new ATOM 1255 N ARG C 83 90.332 -6.863 0.834 1.00 0.00 N ATOM 1256 CA ARG C 83 91.461 -7.066 -0.070 1.00 0.00 C ATOM 1257 C ARG C 83 92.522 -5.983 0.118 1.00 0.00 C ATOM 1258 O ARG C 83 93.614 -6.068 -0.442 1.00 0.00 O ATOM 1259 CB ARG C 83 90.991 -7.051 -1.526 1.00 0.00 C ATOM 1260 CG ARG C 83 92.198 -7.214 -2.451 1.00 0.00 C ATOM 1261 CD ARG C 83 91.727 -7.703 -3.821 1.00 0.00 C ATOM 1262 NE ARG C 83 91.940 -6.676 -4.836 1.00 0.00 N ATOM 1263 CZ ARG C 83 93.167 -6.340 -5.224 1.00 0.00 C ATOM 1264 NH1 ARG C 83 94.203 -6.932 -4.696 1.00 0.00 N ATOM 1265 NH2 ARG C 83 93.334 -5.420 -6.134 1.00 0.00 N ATOM 0 H ARG C 83 89.472 -6.555 0.379 1.00 0.00 H new ATOM 0 HA ARG C 83 91.897 -8.036 0.167 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.276 -7.856 -1.697 1.00 0.00 H new ATOM 0 HB3 ARG C 83 90.476 -6.116 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.723 -6.264 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG C 83 92.905 -7.925 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG C 83 92.267 -8.609 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG C 83 90.669 -7.963 -3.776 1.00 0.00 H new ATOM 0 HE ARG C 83 91.135 -6.209 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG C 83 94.072 -7.652 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG C 83 95.144 -6.674 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG C 83 92.524 -4.959 -6.548 1.00 0.00 H new ATOM 0 HH22 ARG C 83 94.275 -5.162 -6.432 1.00 0.00 H new ATOM 1279 N CYS C 84 92.193 -4.965 0.909 1.00 0.00 N ATOM 1280 CA CYS C 84 93.138 -3.877 1.153 1.00 0.00 C ATOM 1281 C CYS C 84 94.169 -4.288 2.200 1.00 0.00 C ATOM 1282 O CYS C 84 95.327 -3.874 2.149 1.00 0.00 O ATOM 1283 CB CYS C 84 92.407 -2.620 1.635 1.00 0.00 C ATOM 1284 SG CYS C 84 91.830 -2.862 3.335 1.00 0.00 S ATOM 0 H CYS C 84 91.296 -4.870 1.385 1.00 0.00 H new ATOM 0 HA CYS C 84 93.643 -3.659 0.212 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.074 -1.759 1.586 1.00 0.00 H new ATOM 0 HB3 CYS C 84 91.562 -2.406 0.981 1.00 0.00 H new ATOM 0 HG CYS C 84 90.631 -3.365 3.319 1.00 0.00 H new ATOM 1290 N MET C 85 93.735 -5.107 3.152 1.00 0.00 N ATOM 1291 CA MET C 85 94.631 -5.569 4.209 1.00 0.00 C ATOM 1292 C MET C 85 95.382 -6.819 3.760 1.00 0.00 C ATOM 1293 O MET C 85 96.557 -7.001 4.077 1.00 0.00 O ATOM 1294 CB MET C 85 93.843 -5.885 5.482 1.00 0.00 C ATOM 1295 CG MET C 85 93.496 -4.581 6.203 1.00 0.00 C ATOM 1296 SD MET C 85 91.997 -4.813 7.189 1.00 0.00 S ATOM 1297 CE MET C 85 90.896 -3.809 6.162 1.00 0.00 C ATOM 0 H MET C 85 92.781 -5.462 3.215 1.00 0.00 H new ATOM 0 HA MET C 85 95.345 -4.773 4.418 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.932 -6.429 5.233 1.00 0.00 H new ATOM 0 HB3 MET C 85 94.431 -6.529 6.136 1.00 0.00 H new ATOM 0 HG2 MET C 85 94.323 -4.278 6.845 1.00 0.00 H new ATOM 0 HG3 MET C 85 93.346 -3.781 5.478 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.954 -3.649 6.687 1.00 0.00 H new ATOM 0 HE2 MET C 85 91.366 -2.847 5.958 1.00 0.00 H new ATOM 0 HE3 MET C 85 90.704 -4.326 5.222 1.00 0.00 H new ATOM 1307 N LYS C 86 94.689 -7.676 3.015 1.00 0.00 N ATOM 1308 CA LYS C 86 95.297 -8.909 2.522 1.00 0.00 C ATOM 1309 C LYS C 86 96.142 -8.628 1.284 1.00 0.00 C ATOM 1310 O LYS C 86 97.012 -9.418 0.916 1.00 0.00 O ATOM 1311 CB LYS C 86 94.218 -9.934 2.168 1.00 0.00 C ATOM 1312 CG LYS C 86 94.247 -11.074 3.186 1.00 0.00 C ATOM 1313 CD LYS C 86 93.025 -10.974 4.101 1.00 0.00 C ATOM 1314 CE LYS C 86 92.187 -12.247 3.976 1.00 0.00 C ATOM 1315 NZ LYS C 86 92.347 -13.070 5.208 1.00 0.00 N ATOM 0 H LYS C 86 93.716 -7.542 2.741 1.00 0.00 H new ATOM 0 HA LYS C 86 95.932 -9.310 3.312 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.237 -9.459 2.165 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.386 -10.324 1.164 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.251 -12.035 2.671 1.00 0.00 H new ATOM 0 HG3 LYS C 86 95.162 -11.025 3.777 1.00 0.00 H new ATOM 0 HD2 LYS C 86 93.342 -10.835 5.135 1.00 0.00 H new ATOM 0 HD3 LYS C 86 92.426 -10.104 3.831 1.00 0.00 H new ATOM 0 HE2 LYS C 86 91.137 -11.991 3.830 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.501 -12.817 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 91.777 -13.936 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 93.348 -13.325 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 92.027 -12.525 6.034 1.00 0.00 H new ATOM 1392 N ILE I 148 94.224 -0.085 6.086 1.00 0.00 N ATOM 1393 CA ILE I 148 93.443 0.768 6.977 1.00 0.00 C ATOM 1394 C ILE I 148 92.640 -0.081 7.954 1.00 0.00 C ATOM 1395 O ILE I 148 92.090 -1.120 7.590 1.00 0.00 O ATOM 1396 CB ILE I 148 92.478 1.644 6.177 1.00 0.00 C ATOM 1397 CG1 ILE I 148 93.198 2.221 4.955 1.00 0.00 C ATOM 1398 CG2 ILE I 148 91.979 2.790 7.058 1.00 0.00 C ATOM 1399 CD1 ILE I 148 92.242 2.228 3.762 1.00 0.00 C ATOM 0 HA ILE I 148 94.139 1.403 7.526 1.00 0.00 H new ATOM 0 HB ILE I 148 91.632 1.040 5.848 1.00 0.00 H new ATOM 0 HG12 ILE I 148 93.542 3.234 5.166 1.00 0.00 H new ATOM 0 HG13 ILE I 148 94.081 1.626 4.724 1.00 0.00 H new ATOM 0 HG21 ILE I 148 91.291 3.414 6.488 1.00 0.00 H new ATOM 0 HG22 ILE I 148 91.463 2.382 7.928 1.00 0.00 H new ATOM 0 HG23 ILE I 148 92.826 3.391 7.388 1.00 0.00 H new ATOM 0 HD11 ILE I 148 92.751 2.638 2.890 1.00 0.00 H new ATOM 0 HD12 ILE I 148 91.920 1.209 3.548 1.00 0.00 H new ATOM 0 HD13 ILE I 148 91.372 2.842 3.996 1.00 0.00 H new ATOM 1411 N SER I 149 92.576 0.377 9.200 1.00 0.00 N ATOM 1412 CA SER I 149 91.832 -0.346 10.226 1.00 0.00 C ATOM 1413 C SER I 149 90.336 -0.270 9.941 1.00 0.00 C ATOM 1414 O SER I 149 89.711 -1.259 9.560 1.00 0.00 O ATOM 1415 CB SER I 149 92.108 0.247 11.608 1.00 0.00 C ATOM 1416 OG SER I 149 93.492 0.119 11.905 1.00 0.00 O ATOM 0 H SER I 149 93.024 1.235 9.522 1.00 0.00 H new ATOM 0 HA SER I 149 92.156 -1.387 10.211 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.815 1.297 11.631 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.513 -0.267 12.363 1.00 0.00 H new ATOM 0 HG SER I 149 93.673 0.500 12.790 1.00 0.00 H new ATOM 1422 N ALA I 150 89.773 0.920 10.129 1.00 0.00 N ATOM 1423 CA ALA I 150 88.348 1.128 9.890 1.00 0.00 C ATOM 1424 C ALA I 150 87.854 2.337 10.675 1.00 0.00 C ATOM 1425 O ALA I 150 86.903 3.009 10.277 1.00 0.00 O ATOM 1426 CB ALA I 150 87.547 -0.103 10.315 1.00 0.00 C ATOM 0 H ALA I 150 90.277 1.749 10.444 1.00 0.00 H new ATOM 0 HA ALA I 150 88.205 1.300 8.823 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.487 0.071 10.129 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.879 -0.969 9.742 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.703 -0.290 11.377 1.00 0.00 H new ATOM 1432 N ASP I 151 88.514 2.603 11.799 1.00 0.00 N ATOM 1433 CA ASP I 151 88.140 3.733 12.645 1.00 0.00 C ATOM 1434 C ASP I 151 87.831 4.959 11.794 1.00 0.00 C ATOM 1435 O ASP I 151 86.987 5.782 12.148 1.00 0.00 O ATOM 1436 CB ASP I 151 89.274 4.075 13.613 1.00 0.00 C ATOM 1437 CG ASP I 151 89.347 3.014 14.706 1.00 0.00 C ATOM 1438 OD1 ASP I 151 89.163 1.851 14.388 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.585 3.381 15.845 1.00 0.00 O ATOM 0 H ASP I 151 89.304 2.057 12.143 1.00 0.00 H new ATOM 0 HA ASP I 151 87.252 3.449 13.209 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.222 4.126 13.077 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.105 5.057 14.055 1.00 0.00 H new ATOM 1444 N ALA I 152 88.525 5.073 10.666 1.00 0.00 N ATOM 1445 CA ALA I 152 88.315 6.207 9.770 1.00 0.00 C ATOM 1446 C ALA I 152 86.946 6.112 9.103 1.00 0.00 C ATOM 1447 O ALA I 152 86.211 7.095 9.021 1.00 0.00 O ATOM 1448 CB ALA I 152 89.395 6.247 8.688 1.00 0.00 C ATOM 0 H ALA I 152 89.229 4.404 10.353 1.00 0.00 H new ATOM 0 HA ALA I 152 88.368 7.118 10.366 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.220 7.099 8.031 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.375 6.344 9.155 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.361 5.326 8.105 1.00 0.00 H new ATOM 1454 N MET I 153 86.614 4.915 8.626 1.00 0.00 N ATOM 1455 CA MET I 153 85.331 4.697 7.963 1.00 0.00 C ATOM 1456 C MET I 153 84.177 5.069 8.888 1.00 0.00 C ATOM 1457 O MET I 153 83.084 5.407 8.436 1.00 0.00 O ATOM 1458 CB MET I 153 85.184 3.230 7.551 1.00 0.00 C ATOM 1459 CG MET I 153 85.791 3.027 6.163 1.00 0.00 C ATOM 1460 SD MET I 153 85.171 1.481 5.455 1.00 0.00 S ATOM 1461 CE MET I 153 84.749 2.135 3.821 1.00 0.00 C ATOM 0 H MET I 153 87.209 4.088 8.685 1.00 0.00 H new ATOM 0 HA MET I 153 85.302 5.330 7.076 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.683 2.586 8.275 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.131 2.947 7.544 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.534 3.865 5.515 1.00 0.00 H new ATOM 0 HG3 MET I 153 86.879 2.998 6.230 1.00 0.00 H new ATOM 0 HE1 MET I 153 83.677 2.029 3.652 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.022 3.189 3.769 1.00 0.00 H new ATOM 0 HE3 MET I 153 85.293 1.582 3.056 1.00 0.00 H new ATOM 1471 N MET I 154 84.432 4.996 10.191 1.00 0.00 N ATOM 1472 CA MET I 154 83.404 5.320 11.175 1.00 0.00 C ATOM 1473 C MET I 154 83.214 6.831 11.286 1.00 0.00 C ATOM 1474 O MET I 154 82.235 7.305 11.863 1.00 0.00 O ATOM 1475 CB MET I 154 83.783 4.763 12.547 1.00 0.00 C ATOM 1476 CG MET I 154 82.542 4.162 13.210 1.00 0.00 C ATOM 1477 SD MET I 154 82.873 2.442 13.666 1.00 0.00 S ATOM 1478 CE MET I 154 81.205 1.806 13.373 1.00 0.00 C ATOM 0 H MET I 154 85.330 4.719 10.587 1.00 0.00 H new ATOM 0 HA MET I 154 82.471 4.866 10.841 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.557 4.003 12.442 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.196 5.555 13.172 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.274 4.739 14.095 1.00 0.00 H new ATOM 0 HG3 MET I 154 81.693 4.212 12.529 1.00 0.00 H new ATOM 0 HE1 MET I 154 81.135 0.784 13.745 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.480 2.432 13.893 1.00 0.00 H new ATOM 0 HE3 MET I 154 80.993 1.818 12.304 1.00 0.00 H new ATOM 1488 N GLN I 155 84.159 7.583 10.730 1.00 0.00 N ATOM 1489 CA GLN I 155 84.081 9.042 10.779 1.00 0.00 C ATOM 1490 C GLN I 155 82.826 9.541 10.068 1.00 0.00 C ATOM 1491 O GLN I 155 82.102 10.393 10.581 1.00 0.00 O ATOM 1492 CB GLN I 155 85.308 9.668 10.113 1.00 0.00 C ATOM 1493 CG GLN I 155 85.159 11.191 10.104 1.00 0.00 C ATOM 1494 CD GLN I 155 86.527 11.837 9.912 1.00 0.00 C ATOM 1495 OE1 GLN I 155 87.558 11.200 10.127 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.598 13.079 9.517 1.00 0.00 N ATOM 0 H GLN I 155 84.978 7.214 10.246 1.00 0.00 H new ATOM 0 HA GLN I 155 84.044 9.336 11.828 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.212 9.383 10.651 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.412 9.296 9.094 1.00 0.00 H new ATOM 0 HG2 GLN I 155 84.486 11.496 9.303 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.714 11.529 11.040 1.00 0.00 H new ATOM 0 HE21 GLN I 155 85.744 13.607 9.339 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.508 13.521 9.387 1.00 0.00 H new ATOM 1505 N ALA I 156 82.581 9.004 8.876 1.00 0.00 N ATOM 1506 CA ALA I 156 81.412 9.405 8.095 1.00 0.00 C ATOM 1507 C ALA I 156 80.184 8.603 8.512 1.00 0.00 C ATOM 1508 O ALA I 156 79.053 8.951 8.171 1.00 0.00 O ATOM 1509 CB ALA I 156 81.666 9.184 6.604 1.00 0.00 C ATOM 0 H ALA I 156 83.168 8.298 8.432 1.00 0.00 H new ATOM 0 HA ALA I 156 81.232 10.464 8.283 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.786 9.487 6.036 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.524 9.778 6.289 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.869 8.129 6.422 1.00 0.00 H new ATOM 1515 N LEU I 157 80.419 7.525 9.251 1.00 0.00 N ATOM 1516 CA LEU I 157 79.325 6.675 9.709 1.00 0.00 C ATOM 1517 C LEU I 157 78.832 7.131 11.081 1.00 0.00 C ATOM 1518 O LEU I 157 77.929 6.528 11.662 1.00 0.00 O ATOM 1519 CB LEU I 157 79.787 5.217 9.806 1.00 0.00 C ATOM 1520 CG LEU I 157 79.929 4.592 8.407 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.367 5.645 7.382 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.981 3.482 8.461 1.00 0.00 C ATOM 0 H LEU I 157 81.347 7.220 9.544 1.00 0.00 H new ATOM 0 HA LEU I 157 78.512 6.753 8.987 1.00 0.00 H new ATOM 0 HB2 LEU I 157 80.742 5.168 10.329 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.071 4.643 10.394 1.00 0.00 H new ATOM 0 HG LEU I 157 78.963 4.189 8.104 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.461 5.180 6.400 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.623 6.441 7.337 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.329 6.064 7.679 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.088 3.034 7.473 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.937 3.902 8.774 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.669 2.719 9.174 1.00 0.00 H new