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 80 MET CE :methyl -129:sc= -1.91! (180deg=-1.38!) USER MOD Set 1.2: C 81 MET CE :methyl 177:sc= -0.957 (180deg=-0.912) USER MOD Single : C 5 TYR OH : rot 30:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : C 16 GLN : amide:sc= -9.73! C(o=-9.7!,f=-18!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.61! K(o=-1.6!,f=-1.1) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 79:sc= 0.398 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 161:sc= -0.0793 (180deg=-0.638) USER MOD Single : C 45 MET CE :methyl 149:sc= -1.21 (180deg=-2.95!) USER MOD Single : C 47 MET CE :methyl -115:sc= -0.709 (180deg=-1.7) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : C 51 ASN : amide:sc= -0.691 K(o=-0.69,f=-0.11) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -0.86 X(o=-0.86,f=-0.39) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot -110:sc= 0.949 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 84 CYS SG : rot -44:sc= 0.673 USER MOD Single : C 85 MET CE :methyl 178:sc= 0 (180deg=-0.00653) 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 -172:sc= -5.16! (180deg=-5.38!) USER MOD Single : I 154 MET CE :methyl -149:sc= -1.19 (180deg=-2.2!) USER MOD Single : I 155 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.111 -15.917 0.081 1.00 0.00 N ATOM 64 CA TYR C 5 85.815 -14.670 0.784 1.00 0.00 C ATOM 65 C TYR C 5 84.577 -14.834 1.659 1.00 0.00 C ATOM 66 O TYR C 5 84.540 -14.369 2.798 1.00 0.00 O ATOM 67 CB TYR C 5 85.579 -13.531 -0.211 1.00 0.00 C ATOM 68 CG TYR C 5 86.887 -13.162 -0.866 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.351 -13.899 -1.962 1.00 0.00 C ATOM 70 CD2 TYR C 5 87.639 -12.086 -0.377 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.566 -13.562 -2.569 1.00 0.00 C ATOM 72 CE2 TYR C 5 88.854 -11.748 -0.985 1.00 0.00 C ATOM 73 CZ TYR C 5 89.318 -12.486 -2.081 1.00 0.00 C ATOM 74 OH TYR C 5 90.516 -12.153 -2.680 1.00 0.00 O ATOM 0 HA TYR C 5 86.673 -14.427 1.410 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.855 -13.837 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.159 -12.666 0.302 1.00 0.00 H new ATOM 0 HD1 TYR C 5 86.771 -14.728 -2.339 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.282 -11.517 0.469 1.00 0.00 H new ATOM 0 HE1 TYR C 5 88.924 -14.132 -3.414 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.434 -10.918 -0.609 1.00 0.00 H new ATOM 0 HH TYR C 5 90.483 -12.388 -3.631 1.00 0.00 H new ATOM 84 N LYS C 6 83.565 -15.505 1.114 1.00 0.00 N ATOM 85 CA LYS C 6 82.328 -15.729 1.857 1.00 0.00 C ATOM 86 C LYS C 6 82.640 -16.021 3.320 1.00 0.00 C ATOM 87 O LYS C 6 82.117 -15.370 4.224 1.00 0.00 O ATOM 88 CB LYS C 6 81.548 -16.903 1.263 1.00 0.00 C ATOM 89 CG LYS C 6 80.898 -16.468 -0.052 1.00 0.00 C ATOM 90 CD LYS C 6 79.544 -15.816 0.237 1.00 0.00 C ATOM 91 CE LYS C 6 79.328 -14.637 -0.714 1.00 0.00 C ATOM 92 NZ LYS C 6 79.010 -15.149 -2.077 1.00 0.00 N ATOM 0 H LYS C 6 83.576 -15.898 0.173 1.00 0.00 H new ATOM 0 HA LYS C 6 81.721 -14.826 1.787 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.216 -17.747 1.090 1.00 0.00 H new ATOM 0 HB3 LYS C 6 80.785 -17.239 1.965 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.547 -15.766 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.766 -17.329 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS C 6 78.744 -16.546 0.115 1.00 0.00 H new ATOM 0 HD3 LYS C 6 79.507 -15.473 1.271 1.00 0.00 H new ATOM 0 HE2 LYS C 6 78.515 -14.008 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS C 6 80.222 -14.014 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.863 -14.348 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.799 -15.732 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 78.145 -15.725 -2.038 1.00 0.00 H new ATOM 106 N ALA C 7 83.508 -17.004 3.543 1.00 0.00 N ATOM 107 CA ALA C 7 83.892 -17.369 4.903 1.00 0.00 C ATOM 108 C ALA C 7 84.367 -16.131 5.657 1.00 0.00 C ATOM 109 O ALA C 7 83.914 -15.850 6.767 1.00 0.00 O ATOM 110 CB ALA C 7 85.017 -18.406 4.884 1.00 0.00 C ATOM 0 H ALA C 7 83.954 -17.556 2.810 1.00 0.00 H new ATOM 0 HA ALA C 7 83.022 -17.795 5.403 1.00 0.00 H new ATOM 0 HB1 ALA C 7 85.290 -18.666 5.907 1.00 0.00 H new ATOM 0 HB2 ALA C 7 84.679 -19.300 4.360 1.00 0.00 H new ATOM 0 HB3 ALA C 7 85.885 -17.992 4.371 1.00 0.00 H new ATOM 116 N ALA C 8 85.280 -15.390 5.034 1.00 0.00 N ATOM 117 CA ALA C 8 85.808 -14.174 5.647 1.00 0.00 C ATOM 118 C ALA C 8 84.673 -13.201 5.936 1.00 0.00 C ATOM 119 O ALA C 8 84.648 -12.538 6.972 1.00 0.00 O ATOM 120 CB ALA C 8 86.818 -13.498 4.717 1.00 0.00 C ATOM 0 H ALA C 8 85.666 -15.607 4.115 1.00 0.00 H new ATOM 0 HA ALA C 8 86.304 -14.450 6.577 1.00 0.00 H new ATOM 0 HB1 ALA C 8 87.200 -12.594 5.191 1.00 0.00 H new ATOM 0 HB2 ALA C 8 87.644 -14.181 4.519 1.00 0.00 H new ATOM 0 HB3 ALA C 8 86.330 -13.237 3.778 1.00 0.00 H new ATOM 126 N VAL C 9 83.727 -13.131 5.004 1.00 0.00 N ATOM 127 CA VAL C 9 82.580 -12.244 5.158 1.00 0.00 C ATOM 128 C VAL C 9 81.624 -12.804 6.205 1.00 0.00 C ATOM 129 O VAL C 9 80.818 -12.077 6.785 1.00 0.00 O ATOM 130 CB VAL C 9 81.838 -12.094 3.828 1.00 0.00 C ATOM 131 CG1 VAL C 9 80.487 -11.416 4.063 1.00 0.00 C ATOM 132 CG2 VAL C 9 82.677 -11.240 2.874 1.00 0.00 C ATOM 0 H VAL C 9 83.732 -13.674 4.140 1.00 0.00 H new ATOM 0 HA VAL C 9 82.942 -11.267 5.478 1.00 0.00 H new ATOM 0 HB VAL C 9 81.675 -13.080 3.392 1.00 0.00 H new ATOM 0 HG11 VAL C 9 79.962 -11.311 3.113 1.00 0.00 H new ATOM 0 HG12 VAL C 9 79.889 -12.023 4.743 1.00 0.00 H new ATOM 0 HG13 VAL C 9 80.646 -10.430 4.500 1.00 0.00 H new ATOM 0 HG21 VAL C 9 82.151 -11.131 1.925 1.00 0.00 H new ATOM 0 HG22 VAL C 9 82.839 -10.256 3.314 1.00 0.00 H new ATOM 0 HG23 VAL C 9 83.638 -11.724 2.703 1.00 0.00 H new ATOM 142 N GLU C 10 81.726 -14.109 6.441 1.00 0.00 N ATOM 143 CA GLU C 10 80.868 -14.763 7.422 1.00 0.00 C ATOM 144 C GLU C 10 81.414 -14.537 8.826 1.00 0.00 C ATOM 145 O GLU C 10 80.658 -14.393 9.787 1.00 0.00 O ATOM 146 CB GLU C 10 80.785 -16.266 7.149 1.00 0.00 C ATOM 147 CG GLU C 10 79.981 -16.505 5.869 1.00 0.00 C ATOM 148 CD GLU C 10 79.109 -17.744 6.041 1.00 0.00 C ATOM 149 OE1 GLU C 10 78.801 -18.076 7.174 1.00 0.00 O ATOM 150 OE2 GLU C 10 78.762 -18.344 5.037 1.00 0.00 O ATOM 0 H GLU C 10 82.387 -14.728 5.972 1.00 0.00 H new ATOM 0 HA GLU C 10 79.870 -14.332 7.343 1.00 0.00 H new ATOM 0 HB2 GLU C 10 81.786 -16.684 7.046 1.00 0.00 H new ATOM 0 HB3 GLU C 10 80.312 -16.774 7.989 1.00 0.00 H new ATOM 0 HG2 GLU C 10 79.359 -15.637 5.650 1.00 0.00 H new ATOM 0 HG3 GLU C 10 80.655 -16.636 5.022 1.00 0.00 H new ATOM 157 N GLN C 11 82.739 -14.494 8.931 1.00 0.00 N ATOM 158 CA GLN C 11 83.380 -14.269 10.221 1.00 0.00 C ATOM 159 C GLN C 11 82.881 -12.967 10.824 1.00 0.00 C ATOM 160 O GLN C 11 82.466 -12.913 11.982 1.00 0.00 O ATOM 161 CB GLN C 11 84.896 -14.169 10.058 1.00 0.00 C ATOM 162 CG GLN C 11 85.479 -15.558 9.791 1.00 0.00 C ATOM 163 CD GLN C 11 86.942 -15.427 9.382 1.00 0.00 C ATOM 164 OE1 GLN C 11 87.408 -16.131 8.486 1.00 0.00 O ATOM 165 NE2 GLN C 11 87.703 -14.559 9.991 1.00 0.00 N ATOM 0 H GLN C 11 83.383 -14.611 8.148 1.00 0.00 H new ATOM 0 HA GLN C 11 83.135 -15.109 10.871 1.00 0.00 H new ATOM 0 HB2 GLN C 11 85.139 -13.498 9.235 1.00 0.00 H new ATOM 0 HB3 GLN C 11 85.341 -13.744 10.958 1.00 0.00 H new ATOM 0 HG2 GLN C 11 85.394 -16.177 10.684 1.00 0.00 H new ATOM 0 HG3 GLN C 11 84.914 -16.056 9.003 1.00 0.00 H new ATOM 0 HE21 GLN C 11 87.318 -13.975 10.733 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.683 -14.464 9.724 1.00 0.00 H new ATOM 174 N LEU C 12 82.940 -11.915 10.018 1.00 0.00 N ATOM 175 CA LEU C 12 82.506 -10.599 10.462 1.00 0.00 C ATOM 176 C LEU C 12 81.152 -10.683 11.157 1.00 0.00 C ATOM 177 O LEU C 12 80.158 -11.105 10.565 1.00 0.00 O ATOM 178 CB LEU C 12 82.401 -9.646 9.271 1.00 0.00 C ATOM 179 CG LEU C 12 83.750 -9.581 8.553 1.00 0.00 C ATOM 180 CD1 LEU C 12 83.741 -8.425 7.552 1.00 0.00 C ATOM 181 CD2 LEU C 12 84.863 -9.360 9.581 1.00 0.00 C ATOM 0 H LEU C 12 83.283 -11.948 9.058 1.00 0.00 H new ATOM 0 HA LEU C 12 83.246 -10.221 11.168 1.00 0.00 H new ATOM 0 HB2 LEU C 12 81.627 -9.988 8.584 1.00 0.00 H new ATOM 0 HB3 LEU C 12 82.109 -8.652 9.611 1.00 0.00 H new ATOM 0 HG LEU C 12 83.926 -10.517 8.023 1.00 0.00 H new ATOM 0 HD11 LEU C 12 84.702 -8.379 7.041 1.00 0.00 H new ATOM 0 HD12 LEU C 12 82.948 -8.583 6.821 1.00 0.00 H new ATOM 0 HD13 LEU C 12 83.566 -7.488 8.080 1.00 0.00 H new ATOM 0 HD21 LEU C 12 85.825 -9.313 9.071 1.00 0.00 H new ATOM 0 HD22 LEU C 12 84.688 -8.424 10.111 1.00 0.00 H new ATOM 0 HD23 LEU C 12 84.869 -10.185 10.293 1.00 0.00 H new ATOM 193 N THR C 13 81.123 -10.270 12.421 1.00 0.00 N ATOM 194 CA THR C 13 79.884 -10.297 13.192 1.00 0.00 C ATOM 195 C THR C 13 78.903 -9.268 12.643 1.00 0.00 C ATOM 196 O THR C 13 79.220 -8.519 11.720 1.00 0.00 O ATOM 197 CB THR C 13 80.158 -9.984 14.665 1.00 0.00 C ATOM 198 OG1 THR C 13 80.956 -8.813 14.757 1.00 0.00 O ATOM 199 CG2 THR C 13 80.893 -11.158 15.313 1.00 0.00 C ATOM 0 H THR C 13 81.934 -9.916 12.929 1.00 0.00 H new ATOM 0 HA THR C 13 79.457 -11.296 13.110 1.00 0.00 H new ATOM 0 HB THR C 13 79.213 -9.822 15.184 1.00 0.00 H new ATOM 0 HG1 THR C 13 81.131 -8.610 15.700 1.00 0.00 H new ATOM 0 HG21 THR C 13 81.087 -10.932 16.362 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.278 -12.055 15.243 1.00 0.00 H new ATOM 0 HG23 THR C 13 81.839 -11.325 14.797 1.00 0.00 H new ATOM 207 N GLU C 14 77.707 -9.238 13.221 1.00 0.00 N ATOM 208 CA GLU C 14 76.685 -8.294 12.783 1.00 0.00 C ATOM 209 C GLU C 14 77.070 -6.867 13.167 1.00 0.00 C ATOM 210 O GLU C 14 76.395 -5.907 12.795 1.00 0.00 O ATOM 211 CB GLU C 14 75.337 -8.633 13.419 1.00 0.00 C ATOM 212 CG GLU C 14 74.213 -8.032 12.576 1.00 0.00 C ATOM 213 CD GLU C 14 73.245 -7.279 13.481 1.00 0.00 C ATOM 214 OE1 GLU C 14 72.419 -7.927 14.102 1.00 0.00 O ATOM 215 OE2 GLU C 14 73.344 -6.064 13.541 1.00 0.00 O ATOM 0 H GLU C 14 77.423 -9.850 13.986 1.00 0.00 H new ATOM 0 HA GLU C 14 76.606 -8.367 11.698 1.00 0.00 H new ATOM 0 HB2 GLU C 14 75.217 -9.714 13.488 1.00 0.00 H new ATOM 0 HB3 GLU C 14 75.293 -8.242 14.435 1.00 0.00 H new ATOM 0 HG2 GLU C 14 74.627 -7.357 11.827 1.00 0.00 H new ATOM 0 HG3 GLU C 14 73.686 -8.820 12.038 1.00 0.00 H new ATOM 222 N GLU C 15 78.161 -6.736 13.920 1.00 0.00 N ATOM 223 CA GLU C 15 78.622 -5.420 14.353 1.00 0.00 C ATOM 224 C GLU C 15 79.396 -4.721 13.237 1.00 0.00 C ATOM 225 O GLU C 15 78.911 -3.763 12.635 1.00 0.00 O ATOM 226 CB GLU C 15 79.524 -5.548 15.582 1.00 0.00 C ATOM 227 CG GLU C 15 78.845 -6.439 16.623 1.00 0.00 C ATOM 228 CD GLU C 15 79.755 -6.592 17.837 1.00 0.00 C ATOM 229 OE1 GLU C 15 80.943 -6.353 17.697 1.00 0.00 O ATOM 230 OE2 GLU C 15 79.250 -6.946 18.890 1.00 0.00 O ATOM 0 H GLU C 15 78.736 -7.516 14.239 1.00 0.00 H new ATOM 0 HA GLU C 15 77.743 -4.826 14.605 1.00 0.00 H new ATOM 0 HB2 GLU C 15 80.487 -5.972 15.297 1.00 0.00 H new ATOM 0 HB3 GLU C 15 79.722 -4.563 16.005 1.00 0.00 H new ATOM 0 HG2 GLU C 15 77.892 -6.004 16.923 1.00 0.00 H new ATOM 0 HG3 GLU C 15 78.628 -7.417 16.193 1.00 0.00 H new ATOM 237 N GLN C 16 80.608 -5.204 12.972 1.00 0.00 N ATOM 238 CA GLN C 16 81.443 -4.608 11.931 1.00 0.00 C ATOM 239 C GLN C 16 80.629 -4.386 10.656 1.00 0.00 C ATOM 240 O GLN C 16 80.827 -3.405 9.940 1.00 0.00 O ATOM 241 CB GLN C 16 82.666 -5.497 11.636 1.00 0.00 C ATOM 242 CG GLN C 16 82.348 -6.515 10.535 1.00 0.00 C ATOM 243 CD GLN C 16 82.631 -5.889 9.173 1.00 0.00 C ATOM 244 OE1 GLN C 16 81.742 -5.794 8.328 1.00 0.00 O ATOM 245 NE2 GLN C 16 83.831 -5.450 8.908 1.00 0.00 N ATOM 0 H GLN C 16 81.030 -5.996 13.457 1.00 0.00 H new ATOM 0 HA GLN C 16 81.799 -3.643 12.291 1.00 0.00 H new ATOM 0 HB2 GLN C 16 83.507 -4.875 11.330 1.00 0.00 H new ATOM 0 HB3 GLN C 16 82.969 -6.019 12.544 1.00 0.00 H new ATOM 0 HG2 GLN C 16 82.952 -7.413 10.668 1.00 0.00 H new ATOM 0 HG3 GLN C 16 81.304 -6.821 10.597 1.00 0.00 H new ATOM 0 HE21 GLN C 16 84.569 -5.528 9.608 1.00 0.00 H new ATOM 0 HE22 GLN C 16 84.031 -5.029 8.001 1.00 0.00 H new ATOM 254 N LYS C 17 79.706 -5.306 10.385 1.00 0.00 N ATOM 255 CA LYS C 17 78.865 -5.194 9.197 1.00 0.00 C ATOM 256 C LYS C 17 78.131 -3.857 9.201 1.00 0.00 C ATOM 257 O LYS C 17 77.921 -3.244 8.154 1.00 0.00 O ATOM 258 CB LYS C 17 77.842 -6.331 9.151 1.00 0.00 C ATOM 259 CG LYS C 17 78.569 -7.662 8.952 1.00 0.00 C ATOM 260 CD LYS C 17 79.313 -7.641 7.616 1.00 0.00 C ATOM 261 CE LYS C 17 78.348 -7.241 6.500 1.00 0.00 C ATOM 262 NZ LYS C 17 78.586 -8.102 5.308 1.00 0.00 N ATOM 0 H LYS C 17 79.523 -6.126 10.963 1.00 0.00 H new ATOM 0 HA LYS C 17 79.506 -5.258 8.318 1.00 0.00 H new ATOM 0 HB2 LYS C 17 77.266 -6.354 10.076 1.00 0.00 H new ATOM 0 HB3 LYS C 17 77.135 -6.166 8.338 1.00 0.00 H new ATOM 0 HG2 LYS C 17 79.271 -7.831 9.769 1.00 0.00 H new ATOM 0 HG3 LYS C 17 77.855 -8.485 8.970 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.144 -6.937 7.662 1.00 0.00 H new ATOM 0 HD3 LYS C 17 79.738 -8.623 7.409 1.00 0.00 H new ATOM 0 HE2 LYS C 17 77.318 -7.348 6.839 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.491 -6.192 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 77.930 -7.831 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.565 -7.979 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 78.429 -9.098 5.562 1.00 0.00 H new ATOM 276 N ASN C 18 77.752 -3.409 10.395 1.00 0.00 N ATOM 277 CA ASN C 18 77.049 -2.137 10.531 1.00 0.00 C ATOM 278 C ASN C 18 77.977 -0.985 10.163 1.00 0.00 C ATOM 279 O ASN C 18 77.796 -0.326 9.139 1.00 0.00 O ATOM 280 CB ASN C 18 76.558 -1.943 11.967 1.00 0.00 C ATOM 281 CG ASN C 18 75.262 -2.721 12.170 1.00 0.00 C ATOM 282 OD1 ASN C 18 74.241 -2.411 11.556 1.00 0.00 O ATOM 283 ND2 ASN C 18 75.242 -3.724 13.005 1.00 0.00 N ATOM 0 H ASN C 18 77.917 -3.901 11.273 1.00 0.00 H new ATOM 0 HA ASN C 18 76.192 -2.149 9.858 1.00 0.00 H new ATOM 0 HB2 ASN C 18 77.315 -2.287 12.671 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.394 -0.884 12.167 1.00 0.00 H new ATOM 0 HD21 ASN C 18 74.381 -4.251 13.149 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.088 -3.981 13.514 1.00 0.00 H new ATOM 290 N GLU C 19 78.981 -0.752 11.007 1.00 0.00 N ATOM 291 CA GLU C 19 79.935 0.322 10.752 1.00 0.00 C ATOM 292 C GLU C 19 80.321 0.334 9.278 1.00 0.00 C ATOM 293 O GLU C 19 80.556 1.389 8.689 1.00 0.00 O ATOM 294 CB GLU C 19 81.196 0.146 11.605 1.00 0.00 C ATOM 295 CG GLU C 19 81.708 -1.289 11.484 1.00 0.00 C ATOM 296 CD GLU C 19 83.119 -1.373 12.059 1.00 0.00 C ATOM 297 OE1 GLU C 19 83.781 -0.349 12.101 1.00 0.00 O ATOM 298 OE2 GLU C 19 83.517 -2.458 12.449 1.00 0.00 O ATOM 0 H GLU C 19 79.152 -1.284 11.860 1.00 0.00 H new ATOM 0 HA GLU C 19 79.461 1.267 11.017 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.966 0.845 11.280 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.976 0.376 12.647 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.045 -1.970 12.018 1.00 0.00 H new ATOM 0 HG3 GLU C 19 81.710 -1.599 10.439 1.00 0.00 H new ATOM 305 N PHE C 20 80.372 -0.857 8.686 1.00 0.00 N ATOM 306 CA PHE C 20 80.718 -0.976 7.273 1.00 0.00 C ATOM 307 C PHE C 20 79.631 -0.340 6.415 1.00 0.00 C ATOM 308 O PHE C 20 79.873 0.632 5.701 1.00 0.00 O ATOM 309 CB PHE C 20 80.873 -2.446 6.877 1.00 0.00 C ATOM 310 CG PHE C 20 82.069 -2.597 5.967 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.410 -1.566 5.083 1.00 0.00 C ATOM 312 CD2 PHE C 20 82.836 -3.768 6.007 1.00 0.00 C ATOM 313 CE1 PHE C 20 83.518 -1.706 4.239 1.00 0.00 C ATOM 314 CE2 PHE C 20 83.945 -3.907 5.163 1.00 0.00 C ATOM 315 CZ PHE C 20 84.285 -2.875 4.279 1.00 0.00 C ATOM 0 H PHE C 20 80.181 -1.742 9.156 1.00 0.00 H new ATOM 0 HA PHE C 20 81.665 -0.461 7.110 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.999 -3.062 7.767 1.00 0.00 H new ATOM 0 HB3 PHE C 20 79.972 -2.795 6.373 1.00 0.00 H new ATOM 0 HD1 PHE C 20 81.818 -0.663 5.052 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.572 -4.563 6.688 1.00 0.00 H new ATOM 0 HE1 PHE C 20 83.781 -0.911 3.557 1.00 0.00 H new ATOM 0 HE2 PHE C 20 84.538 -4.809 5.194 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.140 -2.982 3.628 1.00 0.00 H new ATOM 325 N LYS C 21 78.424 -0.897 6.500 1.00 0.00 N ATOM 326 CA LYS C 21 77.301 -0.370 5.732 1.00 0.00 C ATOM 327 C LYS C 21 77.299 1.153 5.790 1.00 0.00 C ATOM 328 O LYS C 21 77.223 1.827 4.763 1.00 0.00 O ATOM 329 CB LYS C 21 75.976 -0.896 6.288 1.00 0.00 C ATOM 330 CG LYS C 21 75.933 -2.420 6.150 1.00 0.00 C ATOM 331 CD LYS C 21 74.556 -2.849 5.639 1.00 0.00 C ATOM 332 CE LYS C 21 74.699 -4.111 4.786 1.00 0.00 C ATOM 333 NZ LYS C 21 73.768 -5.160 5.289 1.00 0.00 N ATOM 0 H LYS C 21 78.202 -1.702 7.085 1.00 0.00 H new ATOM 0 HA LYS C 21 77.410 -0.698 4.698 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.871 -0.612 7.335 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.140 -0.448 5.750 1.00 0.00 H new ATOM 0 HG2 LYS C 21 76.709 -2.755 5.461 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.137 -2.889 7.113 1.00 0.00 H new ATOM 0 HD2 LYS C 21 73.888 -3.039 6.479 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.109 -2.048 5.050 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.479 -3.884 3.743 1.00 0.00 H new ATOM 0 HE3 LYS C 21 75.726 -4.473 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.865 -6.018 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.998 -5.383 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 72.790 -4.812 5.231 1.00 0.00 H new ATOM 347 N ALA C 22 77.391 1.689 7.006 1.00 0.00 N ATOM 348 CA ALA C 22 77.406 3.139 7.186 1.00 0.00 C ATOM 349 C ALA C 22 78.264 3.784 6.106 1.00 0.00 C ATOM 350 O ALA C 22 77.753 4.436 5.196 1.00 0.00 O ATOM 351 CB ALA C 22 77.965 3.507 8.561 1.00 0.00 C ATOM 0 H ALA C 22 77.455 1.150 7.870 1.00 0.00 H new ATOM 0 HA ALA C 22 76.382 3.505 7.112 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.967 4.591 8.675 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.343 3.062 9.338 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.984 3.130 8.652 1.00 0.00 H new ATOM 357 N ALA C 23 79.576 3.582 6.205 1.00 0.00 N ATOM 358 CA ALA C 23 80.489 4.139 5.214 1.00 0.00 C ATOM 359 C ALA C 23 80.093 3.650 3.826 1.00 0.00 C ATOM 360 O ALA C 23 80.425 4.264 2.812 1.00 0.00 O ATOM 361 CB ALA C 23 81.928 3.712 5.505 1.00 0.00 C ATOM 0 H ALA C 23 80.024 3.046 6.948 1.00 0.00 H new ATOM 0 HA ALA C 23 80.428 5.226 5.259 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.593 4.138 4.754 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.221 4.068 6.493 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.998 2.625 5.476 1.00 0.00 H new ATOM 367 N PHE C 24 79.367 2.536 3.803 1.00 0.00 N ATOM 368 CA PHE C 24 78.905 1.952 2.548 1.00 0.00 C ATOM 369 C PHE C 24 77.833 2.839 1.925 1.00 0.00 C ATOM 370 O PHE C 24 77.655 2.866 0.707 1.00 0.00 O ATOM 371 CB PHE C 24 78.313 0.563 2.803 1.00 0.00 C ATOM 372 CG PHE C 24 78.616 -0.355 1.642 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.946 0.176 0.388 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.562 -1.742 1.823 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.223 -0.682 -0.684 1.00 0.00 C ATOM 376 CE2 PHE C 24 78.839 -2.599 0.751 1.00 0.00 C ATOM 377 CZ PHE C 24 79.169 -2.070 -0.502 1.00 0.00 C ATOM 0 H PHE C 24 79.086 2.021 4.637 1.00 0.00 H new ATOM 0 HA PHE C 24 79.754 1.870 1.869 1.00 0.00 H new ATOM 0 HB2 PHE C 24 78.726 0.147 3.722 1.00 0.00 H new ATOM 0 HB3 PHE C 24 77.235 0.640 2.944 1.00 0.00 H new ATOM 0 HD1 PHE C 24 78.987 1.246 0.248 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.307 -2.151 2.789 1.00 0.00 H new ATOM 0 HE1 PHE C 24 79.478 -0.274 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE C 24 78.798 -3.669 0.891 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.382 -2.732 -1.329 1.00 0.00 H new ATOM 387 N ASP C 25 77.119 3.562 2.783 1.00 0.00 N ATOM 388 CA ASP C 25 76.057 4.451 2.322 1.00 0.00 C ATOM 389 C ASP C 25 76.637 5.762 1.800 1.00 0.00 C ATOM 390 O ASP C 25 75.917 6.595 1.249 1.00 0.00 O ATOM 391 CB ASP C 25 75.086 4.759 3.463 1.00 0.00 C ATOM 392 CG ASP C 25 74.116 3.596 3.637 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.456 3.250 2.671 1.00 0.00 O ATOM 394 OD2 ASP C 25 74.047 3.067 4.734 1.00 0.00 O ATOM 0 H ASP C 25 77.255 3.551 3.794 1.00 0.00 H new ATOM 0 HA ASP C 25 75.527 3.945 1.515 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.638 4.927 4.388 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.536 5.675 3.249 1.00 0.00 H new ATOM 399 N ILE C 26 77.945 5.943 1.978 1.00 0.00 N ATOM 400 CA ILE C 26 78.595 7.165 1.515 1.00 0.00 C ATOM 401 C ILE C 26 79.185 6.952 0.126 1.00 0.00 C ATOM 402 O ILE C 26 78.921 7.716 -0.802 1.00 0.00 O ATOM 403 CB ILE C 26 79.712 7.596 2.466 1.00 0.00 C ATOM 404 CG1 ILE C 26 79.475 6.994 3.850 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.723 9.122 2.576 1.00 0.00 C ATOM 406 CD1 ILE C 26 78.096 7.409 4.362 1.00 0.00 C ATOM 0 H ILE C 26 78.565 5.272 2.431 1.00 0.00 H new ATOM 0 HA ILE C 26 77.838 7.948 1.484 1.00 0.00 H new ATOM 0 HB ILE C 26 80.669 7.246 2.078 1.00 0.00 H new ATOM 0 HG12 ILE C 26 79.544 5.907 3.801 1.00 0.00 H new ATOM 0 HG13 ILE C 26 80.247 7.332 4.541 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.518 9.432 3.254 1.00 0.00 H new ATOM 0 HG22 ILE C 26 79.895 9.557 1.591 1.00 0.00 H new ATOM 0 HG23 ILE C 26 78.763 9.466 2.962 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.930 6.978 5.349 1.00 0.00 H new ATOM 0 HD12 ILE C 26 78.044 8.496 4.427 1.00 0.00 H new ATOM 0 HD13 ILE C 26 77.330 7.049 3.675 1.00 0.00 H new ATOM 418 N PHE C 27 79.989 5.901 -0.004 1.00 0.00 N ATOM 419 CA PHE C 27 80.617 5.588 -1.285 1.00 0.00 C ATOM 420 C PHE C 27 79.583 5.633 -2.406 1.00 0.00 C ATOM 421 O PHE C 27 79.874 6.061 -3.522 1.00 0.00 O ATOM 422 CB PHE C 27 81.250 4.194 -1.252 1.00 0.00 C ATOM 423 CG PHE C 27 81.934 3.976 0.077 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.751 4.977 0.618 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.754 2.771 0.767 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.387 4.773 1.848 1.00 0.00 C ATOM 427 CE2 PHE C 27 82.390 2.567 1.998 1.00 0.00 C ATOM 428 CZ PHE C 27 83.206 3.568 2.539 1.00 0.00 C ATOM 0 H PHE C 27 80.220 5.257 0.753 1.00 0.00 H new ATOM 0 HA PHE C 27 81.392 6.332 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.485 3.433 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.970 4.092 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.890 5.906 0.086 1.00 0.00 H new ATOM 0 HD2 PHE C 27 81.125 1.999 0.350 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.017 5.545 2.264 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.251 1.637 2.530 1.00 0.00 H new ATOM 0 HZ PHE C 27 83.696 3.411 3.489 1.00 0.00 H new ATOM 438 N VAL C 28 78.371 5.183 -2.095 1.00 0.00 N ATOM 439 CA VAL C 28 77.297 5.174 -3.084 1.00 0.00 C ATOM 440 C VAL C 28 76.197 6.153 -2.687 1.00 0.00 C ATOM 441 O VAL C 28 75.047 6.019 -3.106 1.00 0.00 O ATOM 442 CB VAL C 28 76.697 3.773 -3.212 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.822 2.752 -3.389 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.903 3.442 -1.946 1.00 0.00 C ATOM 0 H VAL C 28 78.109 4.824 -1.177 1.00 0.00 H new ATOM 0 HA VAL C 28 77.721 5.475 -4.042 1.00 0.00 H new ATOM 0 HB VAL C 28 76.034 3.738 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.396 1.753 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL C 28 78.389 2.988 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.484 2.786 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.475 2.444 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.566 3.476 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.102 4.170 -1.818 1.00 0.00 H new ATOM 454 N LEU C 29 76.562 7.140 -1.874 1.00 0.00 N ATOM 455 CA LEU C 29 75.595 8.139 -1.426 1.00 0.00 C ATOM 456 C LEU C 29 74.895 8.770 -2.626 1.00 0.00 C ATOM 457 O LEU C 29 75.538 9.238 -3.565 1.00 0.00 O ATOM 458 CB LEU C 29 76.290 9.229 -0.603 1.00 0.00 C ATOM 459 CG LEU C 29 77.049 10.182 -1.528 1.00 0.00 C ATOM 460 CD1 LEU C 29 76.202 11.430 -1.783 1.00 0.00 C ATOM 461 CD2 LEU C 29 78.366 10.589 -0.862 1.00 0.00 C ATOM 0 H LEU C 29 77.508 7.270 -1.515 1.00 0.00 H new ATOM 0 HA LEU C 29 74.855 7.642 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU C 29 75.552 9.783 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.979 8.774 0.109 1.00 0.00 H new ATOM 0 HG LEU C 29 77.255 9.684 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU C 29 76.743 12.109 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU C 29 75.261 11.142 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU C 29 75.997 11.930 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU C 29 78.911 11.268 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU C 29 78.156 11.088 0.084 1.00 0.00 H new ATOM 0 HD23 LEU C 29 78.970 9.701 -0.678 1.00 0.00 H new ATOM 473 N GLY C 30 73.566 8.767 -2.589 1.00 0.00 N ATOM 474 CA GLY C 30 72.785 9.332 -3.685 1.00 0.00 C ATOM 475 C GLY C 30 73.046 8.564 -4.976 1.00 0.00 C ATOM 476 O GLY C 30 73.081 9.139 -6.065 1.00 0.00 O ATOM 0 H GLY C 30 73.012 8.385 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.723 9.294 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.044 10.382 -3.821 1.00 0.00 H new ATOM 480 N ALA C 31 73.236 7.254 -4.839 1.00 0.00 N ATOM 481 CA ALA C 31 73.501 6.405 -5.998 1.00 0.00 C ATOM 482 C ALA C 31 72.262 5.604 -6.376 1.00 0.00 C ATOM 483 O ALA C 31 71.387 5.347 -5.548 1.00 0.00 O ATOM 484 CB ALA C 31 74.646 5.436 -5.698 1.00 0.00 C ATOM 0 H ALA C 31 73.212 6.761 -3.946 1.00 0.00 H new ATOM 0 HA ALA C 31 73.777 7.054 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.831 4.810 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.547 6.001 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.377 4.806 -4.851 1.00 0.00 H new ATOM 490 N GLU C 32 72.205 5.213 -7.643 1.00 0.00 N ATOM 491 CA GLU C 32 71.080 4.437 -8.150 1.00 0.00 C ATOM 492 C GLU C 32 70.750 3.286 -7.203 1.00 0.00 C ATOM 493 O GLU C 32 69.618 2.807 -7.159 1.00 0.00 O ATOM 494 CB GLU C 32 71.416 3.872 -9.528 1.00 0.00 C ATOM 495 CG GLU C 32 70.299 4.223 -10.512 1.00 0.00 C ATOM 496 CD GLU C 32 69.020 3.497 -10.110 1.00 0.00 C ATOM 497 OE1 GLU C 32 69.117 2.354 -9.694 1.00 0.00 O ATOM 498 OE2 GLU C 32 67.963 4.095 -10.222 1.00 0.00 O ATOM 0 H GLU C 32 72.923 5.420 -8.337 1.00 0.00 H new ATOM 0 HA GLU C 32 70.215 5.097 -8.223 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.364 4.280 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.536 2.790 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU C 32 70.131 5.300 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU C 32 70.588 3.939 -11.524 1.00 0.00 H new ATOM 505 N ASP C 33 71.753 2.850 -6.446 1.00 0.00 N ATOM 506 CA ASP C 33 71.558 1.751 -5.499 1.00 0.00 C ATOM 507 C ASP C 33 72.760 1.633 -4.568 1.00 0.00 C ATOM 508 O ASP C 33 72.736 2.117 -3.436 1.00 0.00 O ATOM 509 CB ASP C 33 71.357 0.412 -6.227 1.00 0.00 C ATOM 510 CG ASP C 33 71.468 0.604 -7.739 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.506 1.065 -8.183 1.00 0.00 O ATOM 512 OD2 ASP C 33 70.512 0.287 -8.428 1.00 0.00 O ATOM 0 H ASP C 33 72.698 3.233 -6.467 1.00 0.00 H new ATOM 0 HA ASP C 33 70.662 1.975 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.103 -0.308 -5.890 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.380 -0.001 -5.978 1.00 0.00 H new ATOM 517 N GLY C 34 73.815 0.982 -5.055 1.00 0.00 N ATOM 518 CA GLY C 34 75.023 0.808 -4.254 1.00 0.00 C ATOM 519 C GLY C 34 76.257 0.732 -5.146 1.00 0.00 C ATOM 520 O GLY C 34 77.155 -0.080 -4.920 1.00 0.00 O ATOM 0 H GLY C 34 73.858 0.572 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.124 1.638 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.942 -0.102 -3.659 1.00 0.00 H new ATOM 524 N CYS C 35 76.291 1.588 -6.163 1.00 0.00 N ATOM 525 CA CYS C 35 77.421 1.612 -7.087 1.00 0.00 C ATOM 526 C CYS C 35 78.321 2.808 -6.794 1.00 0.00 C ATOM 527 O CYS C 35 77.876 3.956 -6.803 1.00 0.00 O ATOM 528 CB CYS C 35 76.936 1.700 -8.536 1.00 0.00 C ATOM 529 SG CYS C 35 75.395 0.768 -8.720 1.00 0.00 S ATOM 0 H CYS C 35 75.558 2.267 -6.367 1.00 0.00 H new ATOM 0 HA CYS C 35 77.982 0.688 -6.951 1.00 0.00 H new ATOM 0 HB2 CYS C 35 76.778 2.742 -8.814 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.696 1.302 -9.209 1.00 0.00 H new ATOM 0 HG CYS C 35 74.403 1.477 -8.271 1.00 0.00 H new ATOM 535 N ILE C 36 79.594 2.526 -6.535 1.00 0.00 N ATOM 536 CA ILE C 36 80.555 3.586 -6.241 1.00 0.00 C ATOM 537 C ILE C 36 81.202 4.087 -7.529 1.00 0.00 C ATOM 538 O ILE C 36 81.371 3.335 -8.488 1.00 0.00 O ATOM 539 CB ILE C 36 81.649 3.076 -5.302 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.021 2.193 -4.222 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.351 4.263 -4.640 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.118 1.408 -3.502 1.00 0.00 C ATOM 0 H ILE C 36 79.982 1.583 -6.522 1.00 0.00 H new ATOM 0 HA ILE C 36 80.017 4.402 -5.759 1.00 0.00 H new ATOM 0 HB ILE C 36 82.375 2.497 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.472 2.808 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.303 1.507 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.130 3.898 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.798 4.895 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.625 4.843 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.670 0.779 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.648 0.782 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.819 2.103 -3.040 1.00 0.00 H new ATOM 554 N SER C 37 81.561 5.368 -7.540 1.00 0.00 N ATOM 555 CA SER C 37 82.189 5.961 -8.718 1.00 0.00 C ATOM 556 C SER C 37 83.412 6.778 -8.316 1.00 0.00 C ATOM 557 O SER C 37 83.621 7.074 -7.140 1.00 0.00 O ATOM 558 CB SER C 37 81.203 6.873 -9.449 1.00 0.00 C ATOM 559 OG SER C 37 81.616 7.022 -10.801 1.00 0.00 O ATOM 0 H SER C 37 81.430 6.009 -6.757 1.00 0.00 H new ATOM 0 HA SER C 37 82.494 5.150 -9.379 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.199 6.450 -9.408 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.159 7.846 -8.961 1.00 0.00 H new ATOM 0 HG SER C 37 80.985 7.605 -11.273 1.00 0.00 H new ATOM 565 N THR C 38 84.218 7.142 -9.310 1.00 0.00 N ATOM 566 CA THR C 38 85.419 7.930 -9.053 1.00 0.00 C ATOM 567 C THR C 38 85.055 9.227 -8.338 1.00 0.00 C ATOM 568 O THR C 38 85.800 9.718 -7.491 1.00 0.00 O ATOM 569 CB THR C 38 86.134 8.266 -10.364 1.00 0.00 C ATOM 570 OG1 THR C 38 85.500 9.383 -10.971 1.00 0.00 O ATOM 571 CG2 THR C 38 86.069 7.065 -11.308 1.00 0.00 C ATOM 0 H THR C 38 84.064 6.907 -10.290 1.00 0.00 H new ATOM 0 HA THR C 38 86.083 7.338 -8.423 1.00 0.00 H new ATOM 0 HB THR C 38 87.178 8.505 -10.159 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.956 9.602 -11.810 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.579 7.307 -12.240 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.555 6.208 -10.841 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.027 6.822 -11.517 1.00 0.00 H new ATOM 579 N LYS C 39 83.895 9.774 -8.692 1.00 0.00 N ATOM 580 CA LYS C 39 83.431 11.016 -8.079 1.00 0.00 C ATOM 581 C LYS C 39 82.713 10.725 -6.766 1.00 0.00 C ATOM 582 O LYS C 39 82.997 11.340 -5.738 1.00 0.00 O ATOM 583 CB LYS C 39 82.474 11.755 -9.016 1.00 0.00 C ATOM 584 CG LYS C 39 83.278 12.612 -9.995 1.00 0.00 C ATOM 585 CD LYS C 39 82.938 14.088 -9.782 1.00 0.00 C ATOM 586 CE LYS C 39 83.681 14.938 -10.814 1.00 0.00 C ATOM 587 NZ LYS C 39 82.835 15.091 -12.031 1.00 0.00 N ATOM 0 H LYS C 39 83.265 9.382 -9.392 1.00 0.00 H new ATOM 0 HA LYS C 39 84.303 11.641 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.859 11.040 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.796 12.383 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS C 39 84.345 12.449 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.052 12.320 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.863 14.241 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS C 39 83.217 14.395 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS C 39 83.915 15.917 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS C 39 84.629 14.468 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.339 15.669 -12.734 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 82.634 14.154 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 81.941 15.558 -11.776 1.00 0.00 H new ATOM 601 N GLU C 40 81.779 9.778 -6.810 1.00 0.00 N ATOM 602 CA GLU C 40 81.027 9.412 -5.613 1.00 0.00 C ATOM 603 C GLU C 40 81.979 8.979 -4.505 1.00 0.00 C ATOM 604 O GLU C 40 81.731 9.221 -3.324 1.00 0.00 O ATOM 605 CB GLU C 40 80.056 8.267 -5.912 1.00 0.00 C ATOM 606 CG GLU C 40 78.802 8.426 -5.049 1.00 0.00 C ATOM 607 CD GLU C 40 77.670 8.998 -5.896 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.933 9.909 -6.662 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.557 8.516 -5.765 1.00 0.00 O ATOM 0 H GLU C 40 81.527 9.256 -7.650 1.00 0.00 H new ATOM 0 HA GLU C 40 80.461 10.286 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.787 8.270 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.533 7.308 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.508 7.462 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU C 40 79.009 9.086 -4.206 1.00 0.00 H new ATOM 616 N LEU C 41 83.075 8.340 -4.902 1.00 0.00 N ATOM 617 CA LEU C 41 84.067 7.881 -3.934 1.00 0.00 C ATOM 618 C LEU C 41 84.846 9.068 -3.380 1.00 0.00 C ATOM 619 O LEU C 41 85.262 9.073 -2.222 1.00 0.00 O ATOM 620 CB LEU C 41 85.047 6.905 -4.588 1.00 0.00 C ATOM 621 CG LEU C 41 86.149 6.549 -3.590 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.540 5.802 -2.402 1.00 0.00 C ATOM 623 CD2 LEU C 41 87.189 5.658 -4.275 1.00 0.00 C ATOM 0 H LEU C 41 83.298 8.130 -5.875 1.00 0.00 H new ATOM 0 HA LEU C 41 83.541 7.374 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.523 6.003 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.481 7.352 -5.482 1.00 0.00 H new ATOM 0 HG LEU C 41 86.629 7.462 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.326 5.548 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.800 6.436 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU C 41 85.060 4.889 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.975 5.404 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.710 4.745 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.623 6.190 -5.121 1.00 0.00 H new ATOM 635 N GLY C 42 85.035 10.077 -4.226 1.00 0.00 N ATOM 636 CA GLY C 42 85.764 11.275 -3.819 1.00 0.00 C ATOM 637 C GLY C 42 84.933 12.115 -2.854 1.00 0.00 C ATOM 638 O GLY C 42 85.429 13.069 -2.255 1.00 0.00 O ATOM 0 H GLY C 42 84.697 10.090 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.703 10.991 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY C 42 86.018 11.868 -4.698 1.00 0.00 H new ATOM 642 N LYS C 43 83.661 11.749 -2.708 1.00 0.00 N ATOM 643 CA LYS C 43 82.770 12.477 -1.809 1.00 0.00 C ATOM 644 C LYS C 43 82.954 11.992 -0.375 1.00 0.00 C ATOM 645 O LYS C 43 82.811 12.757 0.578 1.00 0.00 O ATOM 646 CB LYS C 43 81.309 12.279 -2.222 1.00 0.00 C ATOM 647 CG LYS C 43 80.562 13.609 -2.107 1.00 0.00 C ATOM 648 CD LYS C 43 79.751 13.853 -3.381 1.00 0.00 C ATOM 649 CE LYS C 43 78.440 14.558 -3.025 1.00 0.00 C ATOM 650 NZ LYS C 43 77.379 14.150 -3.988 1.00 0.00 N ATOM 0 H LYS C 43 83.229 10.963 -3.194 1.00 0.00 H new ATOM 0 HA LYS C 43 83.020 13.536 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS C 43 81.256 11.907 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.839 11.529 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.901 13.593 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS C 43 81.270 14.423 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS C 43 80.325 14.462 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS C 43 79.543 12.906 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.141 14.302 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.576 15.639 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 76.444 14.354 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.494 14.680 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.458 13.131 -4.180 1.00 0.00 H new ATOM 664 N VAL C 44 83.280 10.710 -0.235 1.00 0.00 N ATOM 665 CA VAL C 44 83.490 10.125 1.086 1.00 0.00 C ATOM 666 C VAL C 44 84.899 10.445 1.575 1.00 0.00 C ATOM 667 O VAL C 44 85.102 10.884 2.708 1.00 0.00 O ATOM 668 CB VAL C 44 83.281 8.601 1.031 1.00 0.00 C ATOM 669 CG1 VAL C 44 84.579 7.887 0.635 1.00 0.00 C ATOM 670 CG2 VAL C 44 82.823 8.094 2.401 1.00 0.00 C ATOM 0 H VAL C 44 83.404 10.061 -1.012 1.00 0.00 H new ATOM 0 HA VAL C 44 82.767 10.551 1.782 1.00 0.00 H new ATOM 0 HB VAL C 44 82.520 8.386 0.281 1.00 0.00 H new ATOM 0 HG11 VAL C 44 84.407 6.811 0.603 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.899 8.233 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL C 44 85.354 8.109 1.368 1.00 0.00 H new ATOM 0 HG21 VAL C 44 82.676 7.015 2.359 1.00 0.00 H new ATOM 0 HG22 VAL C 44 83.582 8.328 3.148 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.885 8.578 2.673 1.00 0.00 H new ATOM 680 N MET C 45 85.866 10.217 0.696 1.00 0.00 N ATOM 681 CA MET C 45 87.266 10.479 1.021 1.00 0.00 C ATOM 682 C MET C 45 87.414 11.829 1.716 1.00 0.00 C ATOM 683 O MET C 45 87.946 11.918 2.823 1.00 0.00 O ATOM 684 CB MET C 45 88.119 10.482 -0.249 1.00 0.00 C ATOM 685 CG MET C 45 88.152 9.076 -0.850 1.00 0.00 C ATOM 686 SD MET C 45 89.702 8.261 -0.393 1.00 0.00 S ATOM 687 CE MET C 45 89.223 7.782 1.285 1.00 0.00 C ATOM 0 H MET C 45 85.710 9.853 -0.244 1.00 0.00 H new ATOM 0 HA MET C 45 87.606 9.687 1.689 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.710 11.188 -0.972 1.00 0.00 H new ATOM 0 HB3 MET C 45 89.131 10.813 -0.018 1.00 0.00 H new ATOM 0 HG2 MET C 45 87.303 8.495 -0.490 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.063 9.131 -1.935 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.730 6.856 1.558 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.506 8.570 1.983 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.144 7.631 1.326 1.00 0.00 H new ATOM 697 N ARG C 46 86.942 12.881 1.051 1.00 0.00 N ATOM 698 CA ARG C 46 87.033 14.227 1.612 1.00 0.00 C ATOM 699 C ARG C 46 86.520 14.243 3.048 1.00 0.00 C ATOM 700 O ARG C 46 86.997 15.011 3.883 1.00 0.00 O ATOM 701 CB ARG C 46 86.214 15.214 0.777 1.00 0.00 C ATOM 702 CG ARG C 46 84.743 14.800 0.791 1.00 0.00 C ATOM 703 CD ARG C 46 83.958 15.672 -0.190 1.00 0.00 C ATOM 704 NE ARG C 46 83.480 16.886 0.467 1.00 0.00 N ATOM 705 CZ ARG C 46 82.601 16.824 1.463 1.00 0.00 C ATOM 706 NH1 ARG C 46 82.158 15.666 1.872 1.00 0.00 N ATOM 707 NH2 ARG C 46 82.183 17.921 2.034 1.00 0.00 N ATOM 0 H ARG C 46 86.498 12.830 0.134 1.00 0.00 H new ATOM 0 HA ARG C 46 88.081 14.525 1.598 1.00 0.00 H new ATOM 0 HB2 ARG C 46 86.322 16.222 1.177 1.00 0.00 H new ATOM 0 HB3 ARG C 46 86.586 15.236 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG C 46 84.647 13.749 0.517 1.00 0.00 H new ATOM 0 HG3 ARG C 46 84.334 14.906 1.796 1.00 0.00 H new ATOM 0 HD2 ARG C 46 84.591 15.936 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.112 15.110 -0.587 1.00 0.00 H new ATOM 0 HE ARG C 46 83.825 17.794 0.157 1.00 0.00 H new ATOM 0 HH11 ARG C 46 82.486 14.809 1.428 1.00 0.00 H new ATOM 0 HH12 ARG C 46 81.484 15.619 2.636 1.00 0.00 H new ATOM 0 HH21 ARG C 46 82.531 18.826 1.716 1.00 0.00 H new ATOM 0 HH22 ARG C 46 81.509 17.873 2.798 1.00 0.00 H new ATOM 721 N MET C 47 85.545 13.383 3.327 1.00 0.00 N ATOM 722 CA MET C 47 84.976 13.304 4.669 1.00 0.00 C ATOM 723 C MET C 47 85.886 12.491 5.583 1.00 0.00 C ATOM 724 O MET C 47 85.830 12.610 6.807 1.00 0.00 O ATOM 725 CB MET C 47 83.593 12.648 4.632 1.00 0.00 C ATOM 726 CG MET C 47 82.708 13.373 3.617 1.00 0.00 C ATOM 727 SD MET C 47 81.070 13.654 4.335 1.00 0.00 S ATOM 728 CE MET C 47 80.550 11.922 4.401 1.00 0.00 C ATOM 0 H MET C 47 85.136 12.738 2.651 1.00 0.00 H new ATOM 0 HA MET C 47 84.883 14.320 5.054 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.686 11.596 4.363 1.00 0.00 H new ATOM 0 HB3 MET C 47 83.135 12.685 5.621 1.00 0.00 H new ATOM 0 HG2 MET C 47 83.162 14.324 3.337 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.621 12.781 2.706 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.704 11.770 3.731 1.00 0.00 H new ATOM 0 HE2 MET C 47 81.376 11.282 4.092 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.256 11.669 5.420 1.00 0.00 H new ATOM 738 N LEU C 48 86.728 11.661 4.971 1.00 0.00 N ATOM 739 CA LEU C 48 87.652 10.828 5.735 1.00 0.00 C ATOM 740 C LEU C 48 88.950 11.581 6.011 1.00 0.00 C ATOM 741 O LEU C 48 89.950 10.993 6.424 1.00 0.00 O ATOM 742 CB LEU C 48 87.976 9.546 4.967 1.00 0.00 C ATOM 743 CG LEU C 48 87.004 8.441 5.383 1.00 0.00 C ATOM 744 CD1 LEU C 48 85.570 8.884 5.087 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.316 7.167 4.595 1.00 0.00 C ATOM 0 H LEU C 48 86.789 11.548 3.959 1.00 0.00 H new ATOM 0 HA LEU C 48 87.171 10.575 6.680 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.903 9.724 3.894 1.00 0.00 H new ATOM 0 HB3 LEU C 48 89.002 9.238 5.170 1.00 0.00 H new ATOM 0 HG LEU C 48 87.111 8.246 6.450 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.877 8.096 5.384 1.00 0.00 H new ATOM 0 HD12 LEU C 48 85.347 9.793 5.646 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.462 9.079 4.020 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.624 6.378 4.890 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.209 7.364 3.528 1.00 0.00 H new ATOM 0 HD23 LEU C 48 88.338 6.851 4.805 1.00 0.00 H new ATOM 757 N GLY C 49 88.922 12.890 5.776 1.00 0.00 N ATOM 758 CA GLY C 49 90.103 13.719 6.000 1.00 0.00 C ATOM 759 C GLY C 49 91.108 13.544 4.868 1.00 0.00 C ATOM 760 O GLY C 49 92.299 13.809 5.029 1.00 0.00 O ATOM 0 H GLY C 49 88.104 13.395 5.434 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.809 14.766 6.073 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.567 13.451 6.949 1.00 0.00 H new ATOM 764 N GLN C 50 90.613 13.095 3.719 1.00 0.00 N ATOM 765 CA GLN C 50 91.475 12.887 2.559 1.00 0.00 C ATOM 766 C GLN C 50 90.875 13.556 1.328 1.00 0.00 C ATOM 767 O GLN C 50 89.702 13.367 1.009 1.00 0.00 O ATOM 768 CB GLN C 50 91.648 11.394 2.279 1.00 0.00 C ATOM 769 CG GLN C 50 93.030 10.943 2.756 1.00 0.00 C ATOM 770 CD GLN C 50 93.347 9.573 2.168 1.00 0.00 C ATOM 771 OE1 GLN C 50 93.442 9.420 0.950 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.518 8.557 2.968 1.00 0.00 N ATOM 0 H GLN C 50 89.630 12.870 3.566 1.00 0.00 H new ATOM 0 HA GLN C 50 92.447 13.328 2.778 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.871 10.825 2.790 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.538 11.198 1.213 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.786 11.666 2.450 1.00 0.00 H new ATOM 0 HG3 GLN C 50 93.054 10.898 3.845 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.439 8.684 3.977 1.00 0.00 H new ATOM 0 HE22 GLN C 50 93.730 7.636 2.584 1.00 0.00 H new ATOM 781 N ASN C 51 91.695 14.343 0.640 1.00 0.00 N ATOM 782 CA ASN C 51 91.238 15.043 -0.556 1.00 0.00 C ATOM 783 C ASN C 51 91.950 14.506 -1.795 1.00 0.00 C ATOM 784 O ASN C 51 92.990 15.022 -2.203 1.00 0.00 O ATOM 785 CB ASN C 51 91.515 16.541 -0.430 1.00 0.00 C ATOM 786 CG ASN C 51 90.727 17.298 -1.493 1.00 0.00 C ATOM 787 OD1 ASN C 51 89.778 18.015 -1.178 1.00 0.00 O ATOM 788 ND2 ASN C 51 91.069 17.182 -2.747 1.00 0.00 N ATOM 0 H ASN C 51 92.670 14.512 0.886 1.00 0.00 H new ATOM 0 HA ASN C 51 90.165 14.877 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN C 51 91.234 16.891 0.563 1.00 0.00 H new ATOM 0 HB3 ASN C 51 92.581 16.735 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN C 51 90.550 17.686 -3.466 1.00 0.00 H new ATOM 0 HD22 ASN C 51 91.856 16.588 -3.008 1.00 0.00 H new ATOM 795 N PRO C 52 91.388 13.462 -2.400 1.00 0.00 N ATOM 796 CA PRO C 52 91.963 12.840 -3.605 1.00 0.00 C ATOM 797 C PRO C 52 91.587 13.587 -4.882 1.00 0.00 C ATOM 798 O PRO C 52 90.878 14.593 -4.843 1.00 0.00 O ATOM 799 CB PRO C 52 91.329 11.455 -3.584 1.00 0.00 C ATOM 800 CG PRO C 52 90.039 11.569 -2.776 1.00 0.00 C ATOM 801 CD PRO C 52 90.143 12.836 -1.919 1.00 0.00 C ATOM 0 HA PRO C 52 93.053 12.837 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO C 52 91.121 11.110 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO C 52 92.004 10.728 -3.133 1.00 0.00 H new ATOM 0 HG2 PRO C 52 89.175 11.624 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.902 10.690 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO C 52 89.282 13.490 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO C 52 90.194 12.601 -0.856 1.00 0.00 H new ATOM 809 N THR C 53 92.069 13.083 -6.014 1.00 0.00 N ATOM 810 CA THR C 53 91.776 13.712 -7.297 1.00 0.00 C ATOM 811 C THR C 53 90.913 12.791 -8.152 1.00 0.00 C ATOM 812 O THR C 53 90.636 11.651 -7.777 1.00 0.00 O ATOM 813 CB THR C 53 93.072 14.026 -8.048 1.00 0.00 C ATOM 814 OG1 THR C 53 94.181 13.559 -7.293 1.00 0.00 O ATOM 815 CG2 THR C 53 93.192 15.536 -8.253 1.00 0.00 C ATOM 0 H THR C 53 92.657 12.251 -6.070 1.00 0.00 H new ATOM 0 HA THR C 53 91.238 14.640 -7.105 1.00 0.00 H new ATOM 0 HB THR C 53 93.058 13.530 -9.018 1.00 0.00 H new ATOM 0 HG1 THR C 53 95.011 13.758 -7.774 1.00 0.00 H new ATOM 0 HG21 THR C 53 94.115 15.758 -8.788 1.00 0.00 H new ATOM 0 HG22 THR C 53 92.341 15.893 -8.833 1.00 0.00 H new ATOM 0 HG23 THR C 53 93.205 16.035 -7.284 1.00 0.00 H new ATOM 823 N PRO C 54 90.484 13.281 -9.310 1.00 0.00 N ATOM 824 CA PRO C 54 89.647 12.503 -10.236 1.00 0.00 C ATOM 825 C PRO C 54 90.467 11.521 -11.068 1.00 0.00 C ATOM 826 O PRO C 54 89.939 10.553 -11.617 1.00 0.00 O ATOM 827 CB PRO C 54 89.036 13.591 -11.111 1.00 0.00 C ATOM 828 CG PRO C 54 89.969 14.796 -11.039 1.00 0.00 C ATOM 829 CD PRO C 54 90.814 14.643 -9.770 1.00 0.00 C ATOM 0 HA PRO C 54 88.913 11.879 -9.726 1.00 0.00 H new ATOM 0 HB2 PRO C 54 88.931 13.245 -12.139 1.00 0.00 H new ATOM 0 HB3 PRO C 54 88.038 13.854 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO C 54 90.607 14.842 -11.922 1.00 0.00 H new ATOM 0 HG3 PRO C 54 89.397 15.724 -11.010 1.00 0.00 H new ATOM 0 HD2 PRO C 54 91.878 14.751 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO C 54 90.558 15.394 -9.022 1.00 0.00 H new ATOM 837 N GLU C 55 91.768 11.784 -11.148 1.00 0.00 N ATOM 838 CA GLU C 55 92.667 10.922 -11.908 1.00 0.00 C ATOM 839 C GLU C 55 93.158 9.766 -11.041 1.00 0.00 C ATOM 840 O GLU C 55 93.334 8.646 -11.519 1.00 0.00 O ATOM 841 CB GLU C 55 93.874 11.717 -12.408 1.00 0.00 C ATOM 842 CG GLU C 55 93.392 13.011 -13.066 1.00 0.00 C ATOM 843 CD GLU C 55 93.211 12.785 -14.563 1.00 0.00 C ATOM 844 OE1 GLU C 55 93.665 11.761 -15.047 1.00 0.00 O ATOM 845 OE2 GLU C 55 92.620 13.639 -15.203 1.00 0.00 O ATOM 0 H GLU C 55 92.221 12.581 -10.700 1.00 0.00 H new ATOM 0 HA GLU C 55 92.114 10.527 -12.760 1.00 0.00 H new ATOM 0 HB2 GLU C 55 94.542 11.945 -11.578 1.00 0.00 H new ATOM 0 HB3 GLU C 55 94.444 11.123 -13.122 1.00 0.00 H new ATOM 0 HG2 GLU C 55 92.450 13.329 -12.619 1.00 0.00 H new ATOM 0 HG3 GLU C 55 94.113 13.810 -12.893 1.00 0.00 H new ATOM 852 N GLU C 56 93.379 10.050 -9.759 1.00 0.00 N ATOM 853 CA GLU C 56 93.853 9.023 -8.834 1.00 0.00 C ATOM 854 C GLU C 56 92.700 8.121 -8.408 1.00 0.00 C ATOM 855 O GLU C 56 92.782 6.896 -8.505 1.00 0.00 O ATOM 856 CB GLU C 56 94.475 9.663 -7.592 1.00 0.00 C ATOM 857 CG GLU C 56 95.980 9.834 -7.808 1.00 0.00 C ATOM 858 CD GLU C 56 96.709 8.581 -7.335 1.00 0.00 C ATOM 859 OE1 GLU C 56 97.026 8.513 -6.159 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.938 7.708 -8.154 1.00 0.00 O ATOM 0 H GLU C 56 93.240 10.970 -9.341 1.00 0.00 H new ATOM 0 HA GLU C 56 94.609 8.429 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU C 56 94.012 10.630 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.291 9.040 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU C 56 96.188 10.012 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU C 56 96.340 10.705 -7.260 1.00 0.00 H new ATOM 867 N LEU C 57 91.620 8.740 -7.938 1.00 0.00 N ATOM 868 CA LEU C 57 90.450 7.982 -7.503 1.00 0.00 C ATOM 869 C LEU C 57 90.143 6.873 -8.504 1.00 0.00 C ATOM 870 O LEU C 57 90.112 5.692 -8.156 1.00 0.00 O ATOM 871 CB LEU C 57 89.231 8.898 -7.380 1.00 0.00 C ATOM 872 CG LEU C 57 89.199 9.524 -5.985 1.00 0.00 C ATOM 873 CD1 LEU C 57 88.162 10.647 -5.953 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.824 8.457 -4.955 1.00 0.00 C ATOM 0 H LEU C 57 91.530 9.752 -7.849 1.00 0.00 H new ATOM 0 HA LEU C 57 90.670 7.546 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU C 57 89.272 9.679 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.317 8.330 -7.556 1.00 0.00 H new ATOM 0 HG LEU C 57 90.182 9.930 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU C 57 88.139 11.093 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU C 57 88.428 11.408 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU C 57 87.179 10.241 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.801 8.903 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.841 8.051 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.562 7.655 -4.976 1.00 0.00 H new ATOM 886 N GLN C 58 89.920 7.267 -9.755 1.00 0.00 N ATOM 887 CA GLN C 58 89.622 6.299 -10.807 1.00 0.00 C ATOM 888 C GLN C 58 90.545 5.093 -10.683 1.00 0.00 C ATOM 889 O GLN C 58 90.092 3.949 -10.641 1.00 0.00 O ATOM 890 CB GLN C 58 89.806 6.931 -12.188 1.00 0.00 C ATOM 891 CG GLN C 58 89.578 5.874 -13.271 1.00 0.00 C ATOM 892 CD GLN C 58 88.274 6.168 -14.005 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.216 7.065 -14.845 1.00 0.00 O ATOM 894 NE2 GLN C 58 87.212 5.459 -13.735 1.00 0.00 N ATOM 0 H GLN C 58 89.939 8.239 -10.063 1.00 0.00 H new ATOM 0 HA GLN C 58 88.585 5.982 -10.694 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.106 7.756 -12.318 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.809 7.348 -12.278 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.411 5.873 -13.974 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.539 4.881 -12.822 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.259 4.715 -13.039 1.00 0.00 H new ATOM 0 HE22 GLN C 58 86.335 5.649 -14.220 1.00 0.00 H new ATOM 903 N GLU C 59 91.846 5.362 -10.613 1.00 0.00 N ATOM 904 CA GLU C 59 92.827 4.290 -10.482 1.00 0.00 C ATOM 905 C GLU C 59 92.439 3.374 -9.328 1.00 0.00 C ATOM 906 O GLU C 59 92.648 2.161 -9.376 1.00 0.00 O ATOM 907 CB GLU C 59 94.221 4.865 -10.218 1.00 0.00 C ATOM 908 CG GLU C 59 95.280 3.797 -10.499 1.00 0.00 C ATOM 909 CD GLU C 59 96.374 3.875 -9.440 1.00 0.00 C ATOM 910 OE1 GLU C 59 97.118 4.842 -9.455 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.453 2.966 -8.629 1.00 0.00 O ATOM 0 H GLU C 59 92.242 6.302 -10.644 1.00 0.00 H new ATOM 0 HA GLU C 59 92.845 3.725 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.392 5.736 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.296 5.203 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.824 2.807 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU C 59 95.708 3.946 -11.491 1.00 0.00 H new ATOM 918 N MET C 60 91.863 3.974 -8.290 1.00 0.00 N ATOM 919 CA MET C 60 91.435 3.214 -7.120 1.00 0.00 C ATOM 920 C MET C 60 90.161 2.432 -7.431 1.00 0.00 C ATOM 921 O MET C 60 89.747 1.562 -6.665 1.00 0.00 O ATOM 922 CB MET C 60 91.170 4.152 -5.940 1.00 0.00 C ATOM 923 CG MET C 60 92.376 4.144 -4.998 1.00 0.00 C ATOM 924 SD MET C 60 92.328 5.613 -3.942 1.00 0.00 S ATOM 925 CE MET C 60 91.133 4.987 -2.737 1.00 0.00 C ATOM 0 H MET C 60 91.683 4.976 -8.235 1.00 0.00 H new ATOM 0 HA MET C 60 92.233 2.519 -6.858 1.00 0.00 H new ATOM 0 HB2 MET C 60 90.984 5.164 -6.301 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.275 3.835 -5.404 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.366 3.242 -4.385 1.00 0.00 H new ATOM 0 HG3 MET C 60 93.301 4.128 -5.574 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.951 5.747 -1.977 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.197 4.748 -3.243 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.530 4.088 -2.264 1.00 0.00 H new ATOM 935 N ILE C 61 89.543 2.753 -8.567 1.00 0.00 N ATOM 936 CA ILE C 61 88.315 2.076 -8.974 1.00 0.00 C ATOM 937 C ILE C 61 88.641 0.832 -9.796 1.00 0.00 C ATOM 938 O ILE C 61 87.969 -0.194 -9.689 1.00 0.00 O ATOM 939 CB ILE C 61 87.439 3.007 -9.813 1.00 0.00 C ATOM 940 CG1 ILE C 61 87.172 4.300 -9.038 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.110 2.315 -10.125 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.762 3.973 -7.603 1.00 0.00 C ATOM 0 H ILE C 61 89.869 3.470 -9.215 1.00 0.00 H new ATOM 0 HA ILE C 61 87.777 1.788 -8.071 1.00 0.00 H new ATOM 0 HB ILE C 61 87.953 3.244 -10.744 1.00 0.00 H new ATOM 0 HG12 ILE C 61 88.066 4.924 -9.037 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.385 4.872 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.486 2.979 -10.723 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.300 1.397 -10.681 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.597 2.076 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.574 4.898 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.856 3.367 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.563 3.420 -7.113 1.00 0.00 H new ATOM 954 N ASP C 62 89.680 0.937 -10.620 1.00 0.00 N ATOM 955 CA ASP C 62 90.090 -0.185 -11.461 1.00 0.00 C ATOM 956 C ASP C 62 90.257 -1.449 -10.623 1.00 0.00 C ATOM 957 O ASP C 62 90.105 -2.565 -11.120 1.00 0.00 O ATOM 958 CB ASP C 62 91.412 0.125 -12.165 1.00 0.00 C ATOM 959 CG ASP C 62 91.352 -0.374 -13.604 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.334 -0.159 -14.243 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.323 -0.965 -14.047 1.00 0.00 O ATOM 0 H ASP C 62 90.248 1.778 -10.724 1.00 0.00 H new ATOM 0 HA ASP C 62 89.312 -0.345 -12.207 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.602 1.198 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.238 -0.353 -11.638 1.00 0.00 H new ATOM 966 N GLU C 63 90.568 -1.261 -9.343 1.00 0.00 N ATOM 967 CA GLU C 63 90.750 -2.396 -8.440 1.00 0.00 C ATOM 968 C GLU C 63 89.488 -3.250 -8.409 1.00 0.00 C ATOM 969 O GLU C 63 89.540 -4.471 -8.557 1.00 0.00 O ATOM 970 CB GLU C 63 91.056 -1.916 -7.018 1.00 0.00 C ATOM 971 CG GLU C 63 91.936 -0.666 -7.073 1.00 0.00 C ATOM 972 CD GLU C 63 93.090 -0.813 -6.088 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.089 -1.781 -5.345 1.00 0.00 O ATOM 974 OE2 GLU C 63 93.958 0.044 -6.091 1.00 0.00 O ATOM 0 H GLU C 63 90.698 -0.346 -8.911 1.00 0.00 H new ATOM 0 HA GLU C 63 91.589 -2.986 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.128 -1.696 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.561 -2.704 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.321 -0.524 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.346 0.218 -6.830 1.00 0.00 H new ATOM 981 N VAL C 64 88.353 -2.587 -8.218 1.00 0.00 N ATOM 982 CA VAL C 64 87.071 -3.284 -8.170 1.00 0.00 C ATOM 983 C VAL C 64 86.451 -3.344 -9.561 1.00 0.00 C ATOM 984 O VAL C 64 85.737 -4.287 -9.900 1.00 0.00 O ATOM 985 CB VAL C 64 86.108 -2.570 -7.219 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.471 -2.918 -5.775 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.217 -1.055 -7.420 1.00 0.00 C ATOM 0 H VAL C 64 88.293 -1.576 -8.095 1.00 0.00 H new ATOM 0 HA VAL C 64 87.248 -4.297 -7.807 1.00 0.00 H new ATOM 0 HB VAL C 64 85.087 -2.891 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL C 64 85.786 -2.411 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL C 64 86.394 -3.996 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.492 -2.596 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.531 -0.548 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.237 -0.733 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.961 -0.805 -8.450 1.00 0.00 H new ATOM 997 N ASP C 65 86.739 -2.324 -10.364 1.00 0.00 N ATOM 998 CA ASP C 65 86.212 -2.264 -11.724 1.00 0.00 C ATOM 999 C ASP C 65 86.838 -3.360 -12.582 1.00 0.00 C ATOM 1000 O ASP C 65 87.544 -3.081 -13.550 1.00 0.00 O ATOM 1001 CB ASP C 65 86.519 -0.905 -12.355 1.00 0.00 C ATOM 1002 CG ASP C 65 85.232 -0.099 -12.487 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.278 -0.425 -11.800 1.00 0.00 O ATOM 1004 OD2 ASP C 65 85.219 0.834 -13.275 1.00 0.00 O ATOM 0 H ASP C 65 87.329 -1.535 -10.100 1.00 0.00 H new ATOM 0 HA ASP C 65 85.133 -2.408 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.238 -0.362 -11.742 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.976 -1.043 -13.335 1.00 0.00 H new ATOM 1009 N GLU C 66 86.574 -4.610 -12.213 1.00 0.00 N ATOM 1010 CA GLU C 66 87.122 -5.744 -12.955 1.00 0.00 C ATOM 1011 C GLU C 66 86.296 -6.021 -14.209 1.00 0.00 C ATOM 1012 O GLU C 66 86.656 -6.865 -15.030 1.00 0.00 O ATOM 1013 CB GLU C 66 87.136 -7.001 -12.082 1.00 0.00 C ATOM 1014 CG GLU C 66 88.577 -7.490 -11.915 1.00 0.00 C ATOM 1015 CD GLU C 66 89.419 -6.391 -11.276 1.00 0.00 C ATOM 1016 OE1 GLU C 66 88.838 -5.481 -10.707 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.633 -6.477 -11.363 1.00 0.00 O ATOM 0 H GLU C 66 85.991 -4.863 -11.415 1.00 0.00 H new ATOM 0 HA GLU C 66 88.142 -5.489 -13.244 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.699 -6.785 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU C 66 86.527 -7.781 -12.539 1.00 0.00 H new ATOM 0 HG2 GLU C 66 88.598 -8.386 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU C 66 88.993 -7.764 -12.884 1.00 0.00 H new ATOM 1024 N ASP C 67 85.185 -5.304 -14.350 1.00 0.00 N ATOM 1025 CA ASP C 67 84.319 -5.485 -15.512 1.00 0.00 C ATOM 1026 C ASP C 67 84.244 -4.199 -16.329 1.00 0.00 C ATOM 1027 O ASP C 67 83.400 -4.058 -17.215 1.00 0.00 O ATOM 1028 CB ASP C 67 82.907 -5.878 -15.070 1.00 0.00 C ATOM 1029 CG ASP C 67 82.474 -4.993 -13.907 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.989 -3.892 -13.802 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.635 -5.430 -13.137 1.00 0.00 O ATOM 0 H ASP C 67 84.865 -4.601 -13.684 1.00 0.00 H new ATOM 0 HA ASP C 67 84.743 -6.280 -16.126 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.211 -5.770 -15.902 1.00 0.00 H new ATOM 0 HB3 ASP C 67 82.886 -6.926 -14.771 1.00 0.00 H new ATOM 1036 N GLY C 68 85.136 -3.261 -16.022 1.00 0.00 N ATOM 1037 CA GLY C 68 85.162 -1.987 -16.734 1.00 0.00 C ATOM 1038 C GLY C 68 83.795 -1.314 -16.683 1.00 0.00 C ATOM 1039 O GLY C 68 83.456 -0.496 -17.539 1.00 0.00 O ATOM 0 H GLY C 68 85.843 -3.357 -15.293 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.912 -1.332 -16.291 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.454 -2.150 -17.771 1.00 0.00 H new ATOM 1043 N SER C 69 83.012 -1.667 -15.668 1.00 0.00 N ATOM 1044 CA SER C 69 81.680 -1.091 -15.511 1.00 0.00 C ATOM 1045 C SER C 69 81.773 0.421 -15.333 1.00 0.00 C ATOM 1046 O SER C 69 80.984 1.177 -15.900 1.00 0.00 O ATOM 1047 CB SER C 69 80.974 -1.696 -14.297 1.00 0.00 C ATOM 1048 OG SER C 69 81.900 -1.812 -13.225 1.00 0.00 O ATOM 0 H SER C 69 83.273 -2.342 -14.949 1.00 0.00 H new ATOM 0 HA SER C 69 81.107 -1.316 -16.410 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.134 -1.068 -14.000 1.00 0.00 H new ATOM 0 HB3 SER C 69 80.567 -2.675 -14.549 1.00 0.00 H new ATOM 0 HG SER C 69 82.104 -2.758 -13.070 1.00 0.00 H new ATOM 1054 N GLY C 70 82.748 0.854 -14.538 1.00 0.00 N ATOM 1055 CA GLY C 70 82.939 2.281 -14.292 1.00 0.00 C ATOM 1056 C GLY C 70 82.513 2.653 -12.874 1.00 0.00 C ATOM 1057 O GLY C 70 82.678 3.794 -12.441 1.00 0.00 O ATOM 0 H GLY C 70 83.411 0.246 -14.058 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.987 2.542 -14.441 1.00 0.00 H new ATOM 0 HA3 GLY C 70 82.360 2.859 -15.013 1.00 0.00 H new ATOM 1061 N THR C 71 81.961 1.679 -12.156 1.00 0.00 N ATOM 1062 CA THR C 71 81.514 1.916 -10.787 1.00 0.00 C ATOM 1063 C THR C 71 81.788 0.693 -9.917 1.00 0.00 C ATOM 1064 O THR C 71 82.449 -0.254 -10.344 1.00 0.00 O ATOM 1065 CB THR C 71 80.013 2.220 -10.762 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.330 1.286 -11.586 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.766 3.637 -11.281 1.00 0.00 C ATOM 0 H THR C 71 81.814 0.728 -12.495 1.00 0.00 H new ATOM 0 HA THR C 71 82.066 2.770 -10.395 1.00 0.00 H new ATOM 0 HB THR C 71 79.644 2.143 -9.739 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.369 1.477 -11.570 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.697 3.850 -11.262 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.290 4.353 -10.648 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.134 3.719 -12.304 1.00 0.00 H new ATOM 1075 N VAL C 72 81.273 0.725 -8.691 1.00 0.00 N ATOM 1076 CA VAL C 72 81.467 -0.385 -7.762 1.00 0.00 C ATOM 1077 C VAL C 72 80.163 -0.709 -7.038 1.00 0.00 C ATOM 1078 O VAL C 72 79.762 -0.009 -6.108 1.00 0.00 O ATOM 1079 CB VAL C 72 82.537 -0.030 -6.730 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.180 -1.311 -6.198 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.608 0.842 -7.390 1.00 0.00 C ATOM 0 H VAL C 72 80.723 1.500 -8.320 1.00 0.00 H new ATOM 0 HA VAL C 72 81.787 -1.255 -8.335 1.00 0.00 H new ATOM 0 HB VAL C 72 82.080 0.515 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL C 72 83.943 -1.057 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.418 -1.934 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.639 -1.857 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.373 1.097 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.065 0.295 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.150 1.756 -7.769 1.00 0.00 H new ATOM 1091 N ASP C 73 79.506 -1.779 -7.478 1.00 0.00 N ATOM 1092 CA ASP C 73 78.242 -2.196 -6.873 1.00 0.00 C ATOM 1093 C ASP C 73 78.405 -2.405 -5.369 1.00 0.00 C ATOM 1094 O ASP C 73 79.429 -2.053 -4.784 1.00 0.00 O ATOM 1095 CB ASP C 73 77.748 -3.495 -7.514 1.00 0.00 C ATOM 1096 CG ASP C 73 78.882 -4.511 -7.536 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.150 -5.091 -6.497 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.469 -4.693 -8.590 1.00 0.00 O ATOM 0 H ASP C 73 79.824 -2.370 -8.246 1.00 0.00 H new ATOM 0 HA ASP C 73 77.511 -1.406 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP C 73 76.901 -3.891 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.397 -3.303 -8.528 1.00 0.00 H new ATOM 1103 N PHE C 74 77.371 -2.970 -4.751 1.00 0.00 N ATOM 1104 CA PHE C 74 77.384 -3.215 -3.310 1.00 0.00 C ATOM 1105 C PHE C 74 78.089 -4.529 -2.977 1.00 0.00 C ATOM 1106 O PHE C 74 78.056 -4.991 -1.838 1.00 0.00 O ATOM 1107 CB PHE C 74 75.945 -3.272 -2.785 1.00 0.00 C ATOM 1108 CG PHE C 74 75.939 -3.243 -1.275 1.00 0.00 C ATOM 1109 CD1 PHE C 74 75.936 -2.018 -0.598 1.00 0.00 C ATOM 1110 CD2 PHE C 74 75.926 -4.442 -0.553 1.00 0.00 C ATOM 1111 CE1 PHE C 74 75.920 -1.994 0.802 1.00 0.00 C ATOM 1112 CE2 PHE C 74 75.913 -4.418 0.845 1.00 0.00 C ATOM 1113 CZ PHE C 74 75.909 -3.194 1.524 1.00 0.00 C ATOM 0 H PHE C 74 76.516 -3.266 -5.223 1.00 0.00 H new ATOM 0 HA PHE C 74 77.928 -2.399 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE C 74 75.374 -2.429 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.456 -4.179 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE C 74 75.946 -1.093 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE C 74 75.926 -5.387 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE C 74 75.916 -1.049 1.325 1.00 0.00 H new ATOM 0 HE2 PHE C 74 75.906 -5.344 1.401 1.00 0.00 H new ATOM 0 HZ PHE C 74 75.897 -3.175 2.604 1.00 0.00 H new ATOM 1123 N ASP C 75 78.727 -5.132 -3.975 1.00 0.00 N ATOM 1124 CA ASP C 75 79.426 -6.395 -3.747 1.00 0.00 C ATOM 1125 C ASP C 75 80.939 -6.212 -3.840 1.00 0.00 C ATOM 1126 O ASP C 75 81.643 -6.220 -2.830 1.00 0.00 O ATOM 1127 CB ASP C 75 78.992 -7.446 -4.772 1.00 0.00 C ATOM 1128 CG ASP C 75 77.815 -8.242 -4.220 1.00 0.00 C ATOM 1129 OD1 ASP C 75 77.944 -8.776 -3.130 1.00 0.00 O ATOM 1130 OD2 ASP C 75 76.801 -8.307 -4.895 1.00 0.00 O ATOM 0 H ASP C 75 78.776 -4.778 -4.930 1.00 0.00 H new ATOM 0 HA ASP C 75 79.167 -6.732 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP C 75 78.710 -6.962 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP C 75 79.823 -8.115 -4.997 1.00 0.00 H new ATOM 1135 N GLU C 76 81.431 -6.064 -5.066 1.00 0.00 N ATOM 1136 CA GLU C 76 82.867 -5.900 -5.291 1.00 0.00 C ATOM 1137 C GLU C 76 83.489 -4.941 -4.278 1.00 0.00 C ATOM 1138 O GLU C 76 84.687 -5.011 -4.005 1.00 0.00 O ATOM 1139 CB GLU C 76 83.140 -5.379 -6.704 1.00 0.00 C ATOM 1140 CG GLU C 76 82.142 -4.275 -7.050 1.00 0.00 C ATOM 1141 CD GLU C 76 82.432 -3.748 -8.451 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.598 -3.648 -8.795 1.00 0.00 O ATOM 1143 OE2 GLU C 76 81.483 -3.453 -9.160 1.00 0.00 O ATOM 0 H GLU C 76 80.864 -6.054 -5.914 1.00 0.00 H new ATOM 0 HA GLU C 76 83.322 -6.883 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.158 -4.995 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.059 -6.194 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.124 -4.661 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.213 -3.465 -6.324 1.00 0.00 H new ATOM 1150 N PHE C 77 82.679 -4.043 -3.719 1.00 0.00 N ATOM 1151 CA PHE C 77 83.203 -3.092 -2.741 1.00 0.00 C ATOM 1152 C PHE C 77 83.803 -3.834 -1.552 1.00 0.00 C ATOM 1153 O PHE C 77 85.021 -3.867 -1.371 1.00 0.00 O ATOM 1154 CB PHE C 77 82.107 -2.156 -2.234 1.00 0.00 C ATOM 1155 CG PHE C 77 82.700 -1.212 -1.213 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.798 -0.413 -1.557 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.158 -1.138 0.076 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.353 0.459 -0.613 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.714 -0.266 1.020 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.811 0.532 0.676 1.00 0.00 C ATOM 0 H PHE C 77 81.683 -3.954 -3.920 1.00 0.00 H new ATOM 0 HA PHE C 77 83.971 -2.501 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.679 -1.593 -3.064 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.296 -2.732 -1.788 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.217 -0.470 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.311 -1.753 0.342 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.199 1.075 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.296 -0.209 2.014 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.240 1.204 1.405 1.00 0.00 H new ATOM 1170 N LEU C 78 82.932 -4.427 -0.743 1.00 0.00 N ATOM 1171 CA LEU C 78 83.378 -5.168 0.433 1.00 0.00 C ATOM 1172 C LEU C 78 84.597 -6.024 0.099 1.00 0.00 C ATOM 1173 O LEU C 78 85.679 -5.832 0.652 1.00 0.00 O ATOM 1174 CB LEU C 78 82.261 -6.077 0.949 1.00 0.00 C ATOM 1175 CG LEU C 78 81.642 -5.468 2.207 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.138 -5.284 1.999 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.880 -6.405 3.394 1.00 0.00 C ATOM 0 H LEU C 78 81.921 -4.410 -0.877 1.00 0.00 H new ATOM 0 HA LEU C 78 83.644 -4.443 1.202 1.00 0.00 H new ATOM 0 HB2 LEU C 78 81.498 -6.204 0.181 1.00 0.00 H new ATOM 0 HB3 LEU C 78 82.658 -7.068 1.170 1.00 0.00 H new ATOM 0 HG LEU C 78 82.102 -4.500 2.407 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.697 -4.850 2.896 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.966 -4.619 1.152 1.00 0.00 H new ATOM 0 HD13 LEU C 78 79.677 -6.252 1.800 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.440 -5.973 4.293 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.419 -7.372 3.193 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.951 -6.538 3.543 1.00 0.00 H new ATOM 1189 N VAL C 79 84.405 -6.975 -0.811 1.00 0.00 N ATOM 1190 CA VAL C 79 85.493 -7.864 -1.211 1.00 0.00 C ATOM 1191 C VAL C 79 86.813 -7.102 -1.286 1.00 0.00 C ATOM 1192 O VAL C 79 87.739 -7.362 -0.518 1.00 0.00 O ATOM 1193 CB VAL C 79 85.202 -8.490 -2.575 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.354 -9.419 -2.964 1.00 0.00 C ATOM 1195 CG2 VAL C 79 83.904 -9.297 -2.498 1.00 0.00 C ATOM 0 H VAL C 79 83.517 -7.149 -1.281 1.00 0.00 H new ATOM 0 HA VAL C 79 85.572 -8.650 -0.460 1.00 0.00 H new ATOM 0 HB VAL C 79 85.099 -7.703 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.148 -9.866 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.281 -8.847 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.455 -10.206 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL C 79 83.695 -9.744 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.009 -10.084 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.082 -8.638 -2.218 1.00 0.00 H new ATOM 1205 N MET C 80 86.889 -6.159 -2.224 1.00 0.00 N ATOM 1206 CA MET C 80 88.104 -5.364 -2.396 1.00 0.00 C ATOM 1207 C MET C 80 88.732 -5.054 -1.042 1.00 0.00 C ATOM 1208 O MET C 80 89.953 -5.073 -0.887 1.00 0.00 O ATOM 1209 CB MET C 80 87.790 -4.049 -3.111 1.00 0.00 C ATOM 1210 CG MET C 80 89.070 -3.221 -3.240 1.00 0.00 C ATOM 1211 SD MET C 80 88.724 -1.712 -4.180 1.00 0.00 S ATOM 1212 CE MET C 80 87.578 -0.961 -2.998 1.00 0.00 C ATOM 0 H MET C 80 86.134 -5.928 -2.869 1.00 0.00 H new ATOM 0 HA MET C 80 88.802 -5.945 -2.998 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.373 -4.250 -4.098 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.037 -3.491 -2.554 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.452 -2.966 -2.251 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.844 -3.804 -3.740 1.00 0.00 H new ATOM 0 HE1 MET C 80 86.664 -0.667 -3.514 1.00 0.00 H new ATOM 0 HE2 MET C 80 87.337 -1.682 -2.216 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.041 -0.082 -2.550 1.00 0.00 H new ATOM 1222 N MET C 81 87.880 -4.769 -0.063 1.00 0.00 N ATOM 1223 CA MET C 81 88.357 -4.456 1.280 1.00 0.00 C ATOM 1224 C MET C 81 89.004 -5.685 1.909 1.00 0.00 C ATOM 1225 O MET C 81 90.182 -5.674 2.262 1.00 0.00 O ATOM 1226 CB MET C 81 87.199 -3.988 2.165 1.00 0.00 C ATOM 1227 CG MET C 81 86.434 -2.869 1.455 1.00 0.00 C ATOM 1228 SD MET C 81 86.980 -1.265 2.092 1.00 0.00 S ATOM 1229 CE MET C 81 88.057 -0.826 0.705 1.00 0.00 C ATOM 0 H MET C 81 86.866 -4.748 -0.171 1.00 0.00 H new ATOM 0 HA MET C 81 89.094 -3.657 1.201 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.530 -4.822 2.378 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.580 -3.632 3.122 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.605 -2.923 0.380 1.00 0.00 H new ATOM 0 HG3 MET C 81 85.362 -2.989 1.614 1.00 0.00 H new ATOM 0 HE1 MET C 81 88.467 0.171 0.864 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.872 -1.547 0.635 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.481 -0.838 -0.221 1.00 0.00 H new ATOM 1239 N VAL C 82 88.219 -6.750 2.044 1.00 0.00 N ATOM 1240 CA VAL C 82 88.729 -7.985 2.630 1.00 0.00 C ATOM 1241 C VAL C 82 90.010 -8.418 1.924 1.00 0.00 C ATOM 1242 O VAL C 82 90.836 -9.134 2.491 1.00 0.00 O ATOM 1243 CB VAL C 82 87.692 -9.103 2.514 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.027 -10.216 3.508 1.00 0.00 C ATOM 1245 CG2 VAL C 82 86.302 -8.543 2.826 1.00 0.00 C ATOM 0 H VAL C 82 87.240 -6.784 1.760 1.00 0.00 H new ATOM 0 HA VAL C 82 88.939 -7.796 3.683 1.00 0.00 H new ATOM 0 HB VAL C 82 87.704 -9.505 1.501 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.288 -11.013 3.425 1.00 0.00 H new ATOM 0 HG12 VAL C 82 89.017 -10.615 3.287 1.00 0.00 H new ATOM 0 HG13 VAL C 82 88.016 -9.814 4.521 1.00 0.00 H new ATOM 0 HG21 VAL C 82 85.562 -9.339 2.744 1.00 0.00 H new ATOM 0 HG22 VAL C 82 86.291 -8.141 3.839 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.062 -7.750 2.118 1.00 0.00 H new ATOM 1255 N ARG C 83 90.168 -7.974 0.679 1.00 0.00 N ATOM 1256 CA ARG C 83 91.356 -8.321 -0.096 1.00 0.00 C ATOM 1257 C ARG C 83 92.598 -7.699 0.534 1.00 0.00 C ATOM 1258 O ARG C 83 93.677 -8.291 0.529 1.00 0.00 O ATOM 1259 CB ARG C 83 91.223 -7.824 -1.537 1.00 0.00 C ATOM 1260 CG ARG C 83 91.891 -8.824 -2.486 1.00 0.00 C ATOM 1261 CD ARG C 83 91.265 -8.704 -3.876 1.00 0.00 C ATOM 1262 NE ARG C 83 91.345 -9.977 -4.590 1.00 0.00 N ATOM 1263 CZ ARG C 83 92.513 -10.458 -5.008 1.00 0.00 C ATOM 1264 NH1 ARG C 83 93.612 -9.790 -4.783 1.00 0.00 N ATOM 1265 NH2 ARG C 83 92.561 -11.596 -5.645 1.00 0.00 N ATOM 0 H ARG C 83 89.497 -7.381 0.190 1.00 0.00 H new ATOM 0 HA ARG C 83 91.452 -9.407 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.171 -7.707 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG C 83 91.688 -6.843 -1.639 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.962 -8.630 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.769 -9.839 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.223 -8.397 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.778 -7.929 -4.446 1.00 0.00 H new ATOM 0 HE ARG C 83 90.491 -10.505 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG C 83 93.575 -8.900 -4.287 1.00 0.00 H new ATOM 0 HH12 ARG C 83 94.507 -10.159 -5.103 1.00 0.00 H new ATOM 0 HH21 ARG C 83 91.703 -12.118 -5.823 1.00 0.00 H new ATOM 0 HH22 ARG C 83 93.457 -11.964 -5.965 1.00 0.00 H new ATOM 1279 N CYS C 84 92.431 -6.499 1.085 1.00 0.00 N ATOM 1280 CA CYS C 84 93.545 -5.808 1.727 1.00 0.00 C ATOM 1281 C CYS C 84 93.657 -6.240 3.185 1.00 0.00 C ATOM 1282 O CYS C 84 94.725 -6.159 3.793 1.00 0.00 O ATOM 1283 CB CYS C 84 93.357 -4.288 1.655 1.00 0.00 C ATOM 1284 SG CYS C 84 92.062 -3.770 2.810 1.00 0.00 S ATOM 0 H CYS C 84 91.547 -5.991 1.100 1.00 0.00 H new ATOM 0 HA CYS C 84 94.461 -6.072 1.198 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.294 -3.785 1.896 1.00 0.00 H new ATOM 0 HB3 CYS C 84 93.090 -3.994 0.640 1.00 0.00 H new ATOM 0 HG CYS C 84 91.051 -4.582 2.721 1.00 0.00 H new ATOM 1290 N MET C 85 92.540 -6.708 3.736 1.00 0.00 N ATOM 1291 CA MET C 85 92.518 -7.160 5.124 1.00 0.00 C ATOM 1292 C MET C 85 93.495 -8.315 5.312 1.00 0.00 C ATOM 1293 O MET C 85 94.420 -8.241 6.122 1.00 0.00 O ATOM 1294 CB MET C 85 91.114 -7.627 5.517 1.00 0.00 C ATOM 1295 CG MET C 85 90.120 -6.479 5.337 1.00 0.00 C ATOM 1296 SD MET C 85 90.462 -5.187 6.558 1.00 0.00 S ATOM 1297 CE MET C 85 89.240 -3.990 5.967 1.00 0.00 C ATOM 0 H MET C 85 91.647 -6.784 3.249 1.00 0.00 H new ATOM 0 HA MET C 85 92.808 -6.323 5.759 1.00 0.00 H new ATOM 0 HB2 MET C 85 90.818 -8.477 4.902 1.00 0.00 H new ATOM 0 HB3 MET C 85 91.110 -7.966 6.553 1.00 0.00 H new ATOM 0 HG2 MET C 85 90.198 -6.071 4.329 1.00 0.00 H new ATOM 0 HG3 MET C 85 89.100 -6.845 5.455 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.252 -3.110 6.610 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.483 -3.696 4.946 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.248 -4.442 5.989 1.00 0.00 H new ATOM 1307 N LYS C 86 93.281 -9.382 4.549 1.00 0.00 N ATOM 1308 CA LYS C 86 94.149 -10.552 4.632 1.00 0.00 C ATOM 1309 C LYS C 86 95.613 -10.123 4.621 1.00 0.00 C ATOM 1310 O LYS C 86 96.322 -10.251 5.620 1.00 0.00 O ATOM 1311 CB LYS C 86 93.895 -11.491 3.449 1.00 0.00 C ATOM 1312 CG LYS C 86 92.453 -12.002 3.501 1.00 0.00 C ATOM 1313 CD LYS C 86 91.909 -12.143 2.077 1.00 0.00 C ATOM 1314 CE LYS C 86 90.751 -13.141 2.070 1.00 0.00 C ATOM 1315 NZ LYS C 86 91.069 -14.265 1.143 1.00 0.00 N ATOM 0 H LYS C 86 92.522 -9.461 3.872 1.00 0.00 H new ATOM 0 HA LYS C 86 93.928 -11.075 5.563 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.072 -10.966 2.510 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.590 -12.330 3.481 1.00 0.00 H new ATOM 0 HG2 LYS C 86 92.415 -12.964 4.013 1.00 0.00 H new ATOM 0 HG3 LYS C 86 91.832 -11.312 4.072 1.00 0.00 H new ATOM 0 HD2 LYS C 86 91.571 -11.175 1.708 1.00 0.00 H new ATOM 0 HD3 LYS C 86 92.699 -12.481 1.406 1.00 0.00 H new ATOM 0 HE2 LYS C 86 90.580 -13.523 3.076 1.00 0.00 H new ATOM 0 HE3 LYS C 86 89.832 -12.646 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 90.281 -14.944 1.138 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 91.212 -13.893 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 91.936 -14.743 1.461 1.00 0.00 H new ATOM 1392 N ILE I 148 93.489 -0.081 5.142 1.00 0.00 N ATOM 1393 CA ILE I 148 92.226 0.421 5.678 1.00 0.00 C ATOM 1394 C ILE I 148 91.793 -0.413 6.882 1.00 0.00 C ATOM 1395 O ILE I 148 91.272 -1.518 6.735 1.00 0.00 O ATOM 1396 CB ILE I 148 91.135 0.369 4.604 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.397 1.463 3.566 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.764 0.596 5.245 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.232 1.522 2.577 1.00 0.00 C ATOM 0 HA ILE I 148 92.373 1.455 5.991 1.00 0.00 H new ATOM 0 HB ILE I 148 91.149 -0.609 4.122 1.00 0.00 H new ATOM 0 HG12 ILE I 148 91.516 2.427 4.061 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.327 1.260 3.036 1.00 0.00 H new ATOM 0 HG21 ILE I 148 88.992 0.558 4.476 1.00 0.00 H new ATOM 0 HG22 ILE I 148 89.576 -0.180 5.987 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.746 1.572 5.729 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.420 2.302 1.839 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.134 0.561 2.073 1.00 0.00 H new ATOM 0 HD13 ILE I 148 89.310 1.746 3.114 1.00 0.00 H new ATOM 1411 N SER I 149 92.017 0.132 8.075 1.00 0.00 N ATOM 1412 CA SER I 149 91.650 -0.567 9.304 1.00 0.00 C ATOM 1413 C SER I 149 90.147 -0.468 9.548 1.00 0.00 C ATOM 1414 O SER I 149 89.439 -1.474 9.564 1.00 0.00 O ATOM 1415 CB SER I 149 92.391 0.026 10.502 1.00 0.00 C ATOM 1416 OG SER I 149 92.544 -0.974 11.501 1.00 0.00 O ATOM 0 H SER I 149 92.446 1.046 8.217 1.00 0.00 H new ATOM 0 HA SER I 149 91.930 -1.614 9.189 1.00 0.00 H new ATOM 0 HB2 SER I 149 93.367 0.399 10.192 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.837 0.875 10.903 1.00 0.00 H new ATOM 0 HG SER I 149 93.020 -0.598 12.270 1.00 0.00 H new ATOM 1422 N ALA I 150 89.666 0.759 9.738 1.00 0.00 N ATOM 1423 CA ALA I 150 88.242 0.976 9.980 1.00 0.00 C ATOM 1424 C ALA I 150 87.994 2.377 10.532 1.00 0.00 C ATOM 1425 O ALA I 150 86.979 3.006 10.232 1.00 0.00 O ATOM 1426 CB ALA I 150 87.707 -0.053 10.978 1.00 0.00 C ATOM 0 H ALA I 150 90.233 1.607 9.729 1.00 0.00 H new ATOM 0 HA ALA I 150 87.723 0.867 9.028 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.645 0.123 11.147 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.850 -1.057 10.577 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.245 0.041 11.921 1.00 0.00 H new ATOM 1432 N ASP I 151 88.930 2.857 11.344 1.00 0.00 N ATOM 1433 CA ASP I 151 88.800 4.186 11.937 1.00 0.00 C ATOM 1434 C ASP I 151 88.317 5.193 10.896 1.00 0.00 C ATOM 1435 O ASP I 151 87.322 5.888 11.098 1.00 0.00 O ATOM 1436 CB ASP I 151 90.143 4.657 12.500 1.00 0.00 C ATOM 1437 CG ASP I 151 89.977 6.039 13.122 1.00 0.00 C ATOM 1438 OD1 ASP I 151 89.179 6.163 14.037 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.648 6.954 12.674 1.00 0.00 O ATOM 0 H ASP I 151 89.778 2.354 11.605 1.00 0.00 H new ATOM 0 HA ASP I 151 88.071 4.121 12.745 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.504 3.951 13.248 1.00 0.00 H new ATOM 0 HB3 ASP I 151 90.890 4.691 11.707 1.00 0.00 H new ATOM 1444 N ALA I 152 89.039 5.265 9.782 1.00 0.00 N ATOM 1445 CA ALA I 152 88.686 6.194 8.710 1.00 0.00 C ATOM 1446 C ALA I 152 87.259 5.949 8.224 1.00 0.00 C ATOM 1447 O ALA I 152 86.504 6.889 7.977 1.00 0.00 O ATOM 1448 CB ALA I 152 89.645 6.034 7.530 1.00 0.00 C ATOM 0 H ALA I 152 89.866 4.697 9.597 1.00 0.00 H new ATOM 0 HA ALA I 152 88.760 7.205 9.110 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.369 6.732 6.740 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.664 6.241 7.858 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.587 5.014 7.150 1.00 0.00 H new ATOM 1454 N MET I 153 86.900 4.676 8.083 1.00 0.00 N ATOM 1455 CA MET I 153 85.562 4.319 7.617 1.00 0.00 C ATOM 1456 C MET I 153 84.491 4.990 8.474 1.00 0.00 C ATOM 1457 O MET I 153 83.349 5.153 8.046 1.00 0.00 O ATOM 1458 CB MET I 153 85.361 2.803 7.666 1.00 0.00 C ATOM 1459 CG MET I 153 86.436 2.115 6.823 1.00 0.00 C ATOM 1460 SD MET I 153 86.174 2.507 5.075 1.00 0.00 S ATOM 1461 CE MET I 153 87.331 3.895 4.976 1.00 0.00 C ATOM 0 H MET I 153 87.508 3.882 8.282 1.00 0.00 H new ATOM 0 HA MET I 153 85.468 4.665 6.588 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.413 2.452 8.697 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.370 2.545 7.291 1.00 0.00 H new ATOM 0 HG2 MET I 153 87.426 2.446 7.137 1.00 0.00 H new ATOM 0 HG3 MET I 153 86.397 1.036 6.975 1.00 0.00 H new ATOM 0 HE1 MET I 153 87.227 4.387 4.009 1.00 0.00 H new ATOM 0 HE2 MET I 153 87.113 4.608 5.771 1.00 0.00 H new ATOM 0 HE3 MET I 153 88.351 3.527 5.088 1.00 0.00 H new ATOM 1471 N MET I 154 84.868 5.370 9.692 1.00 0.00 N ATOM 1472 CA MET I 154 83.925 6.018 10.604 1.00 0.00 C ATOM 1473 C MET I 154 83.872 7.525 10.358 1.00 0.00 C ATOM 1474 O MET I 154 82.832 8.161 10.534 1.00 0.00 O ATOM 1475 CB MET I 154 84.329 5.767 12.059 1.00 0.00 C ATOM 1476 CG MET I 154 83.334 4.801 12.705 1.00 0.00 C ATOM 1477 SD MET I 154 82.633 5.559 14.192 1.00 0.00 S ATOM 1478 CE MET I 154 81.169 6.281 13.411 1.00 0.00 C ATOM 0 H MET I 154 85.807 5.243 10.069 1.00 0.00 H new ATOM 0 HA MET I 154 82.940 5.590 10.417 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.336 5.351 12.102 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.349 6.708 12.610 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.540 4.556 12.000 1.00 0.00 H new ATOM 0 HG3 MET I 154 83.833 3.866 12.961 1.00 0.00 H new ATOM 0 HE1 MET I 154 80.893 7.197 13.933 1.00 0.00 H new ATOM 0 HE2 MET I 154 81.388 6.510 12.368 1.00 0.00 H new ATOM 0 HE3 MET I 154 80.343 5.572 13.461 1.00 0.00 H new ATOM 1488 N GLN I 155 85.008 8.090 9.960 1.00 0.00 N ATOM 1489 CA GLN I 155 85.090 9.528 9.703 1.00 0.00 C ATOM 1490 C GLN I 155 83.879 10.016 8.908 1.00 0.00 C ATOM 1491 O GLN I 155 83.190 10.951 9.316 1.00 0.00 O ATOM 1492 CB GLN I 155 86.366 9.860 8.926 1.00 0.00 C ATOM 1493 CG GLN I 155 87.542 9.969 9.899 1.00 0.00 C ATOM 1494 CD GLN I 155 88.325 11.247 9.613 1.00 0.00 C ATOM 1495 OE1 GLN I 155 87.754 12.251 9.189 1.00 0.00 O ATOM 1496 NE2 GLN I 155 89.613 11.269 9.821 1.00 0.00 N ATOM 0 H GLN I 155 85.879 7.581 9.809 1.00 0.00 H new ATOM 0 HA GLN I 155 85.106 10.034 10.668 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.564 9.086 8.184 1.00 0.00 H new ATOM 0 HB3 GLN I 155 86.241 10.797 8.384 1.00 0.00 H new ATOM 0 HG2 GLN I 155 87.178 9.976 10.926 1.00 0.00 H new ATOM 0 HG3 GLN I 155 88.193 9.101 9.797 1.00 0.00 H new ATOM 0 HE21 GLN I 155 90.087 10.437 10.173 1.00 0.00 H new ATOM 0 HE22 GLN I 155 90.146 12.118 9.632 1.00 0.00 H new ATOM 1505 N ALA I 156 83.632 9.382 7.765 1.00 0.00 N ATOM 1506 CA ALA I 156 82.505 9.769 6.917 1.00 0.00 C ATOM 1507 C ALA I 156 81.183 9.572 7.651 1.00 0.00 C ATOM 1508 O ALA I 156 80.137 10.051 7.213 1.00 0.00 O ATOM 1509 CB ALA I 156 82.487 8.937 5.634 1.00 0.00 C ATOM 0 H ALA I 156 84.189 8.607 7.406 1.00 0.00 H new ATOM 0 HA ALA I 156 82.627 10.823 6.667 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.641 9.239 5.016 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.414 9.097 5.084 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.392 7.881 5.887 1.00 0.00 H new ATOM 1515 N LEU I 157 81.239 8.859 8.770 1.00 0.00 N ATOM 1516 CA LEU I 157 80.035 8.602 9.555 1.00 0.00 C ATOM 1517 C LEU I 157 80.168 9.200 10.952 1.00 0.00 C ATOM 1518 O LEU I 157 80.191 8.481 11.951 1.00 0.00 O ATOM 1519 CB LEU I 157 79.786 7.097 9.678 1.00 0.00 C ATOM 1520 CG LEU I 157 79.733 6.469 8.283 1.00 0.00 C ATOM 1521 CD1 LEU I 157 78.830 7.308 7.379 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.143 6.421 7.689 1.00 0.00 C ATOM 0 H LEU I 157 82.093 8.453 9.152 1.00 0.00 H new ATOM 0 HA LEU I 157 79.195 9.068 9.041 1.00 0.00 H new ATOM 0 HB2 LEU I 157 80.578 6.634 10.266 1.00 0.00 H new ATOM 0 HB3 LEU I 157 78.850 6.915 10.205 1.00 0.00 H new ATOM 0 HG LEU I 157 79.335 5.457 8.357 1.00 0.00 H new ATOM 0 HD11 LEU I 157 78.793 6.860 6.386 1.00 0.00 H new ATOM 0 HD12 LEU I 157 77.825 7.342 7.800 1.00 0.00 H new ATOM 0 HD13 LEU I 157 79.228 8.320 7.306 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.104 5.974 6.696 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.542 7.433 7.616 1.00 0.00 H new ATOM 0 HD23 LEU I 157 81.788 5.822 8.332 1.00 0.00 H new