USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 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 Single : C 5 TYR OH : rot 180:sc=-0.00171 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 13 THR OG1 : rot -160:sc= -1.15 USER MOD Single : C 16 GLN : amide:sc= -6.87! C(o=-6.9!,f=-7!) USER MOD Single : C 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00758) USER MOD Single : C 18 ASN : amide:sc= -3.65! C(o=-3.7!,f=-3.9!) USER MOD Single : C 21 LYS NZ :NH3+ -138:sc= -0.0922 (180deg=-0.773) USER MOD Single : C 35 CYS SG : rot 67:sc= 0.0302! USER MOD Single : C 37 SER OG : rot 180:sc= 0.791 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ -144:sc= -0.391 (180deg=-1.81!) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 159:sc= -0.377 (180deg=-1.38) USER MOD Single : C 47 MET CE :methyl 150:sc= -5.77! (180deg=-8.04!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.058) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.0568 USER MOD Single : C 58 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.4) USER MOD Single : C 60 MET CE :methyl 143:sc= 0 (180deg=-0.0607) USER MOD Single : C 69 SER OG : rot 180:sc= -0.547 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl 145:sc= -0.66 (180deg=-2.48!) USER MOD Single : C 81 MET CE :methyl -116:sc= -3.84! (180deg=-10.5!) USER MOD Single : C 84 CYS SG : rot 95:sc= 0.799 USER MOD Single : C 85 MET CE :methyl 143:sc= -2.46! (180deg=-4.45!) USER MOD Single : C 86 LYS NZ :NH3+ -154:sc= -0.654 (180deg=-2.41!) USER MOD Single : I 149 SER OG : rot 31:sc= 1.02 USER MOD Single : I 153 MET CE :methyl 147:sc= -17.4! (180deg=-22.6!) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.874 -15.777 -1.358 1.00 0.00 N ATOM 64 CA TYR C 5 86.551 -14.638 -0.500 1.00 0.00 C ATOM 65 C TYR C 5 85.566 -15.044 0.591 1.00 0.00 C ATOM 66 O TYR C 5 85.697 -14.638 1.746 1.00 0.00 O ATOM 67 CB TYR C 5 85.938 -13.507 -1.326 1.00 0.00 C ATOM 68 CG TYR C 5 86.931 -13.048 -2.366 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.848 -12.037 -2.058 1.00 0.00 C ATOM 70 CD2 TYR C 5 86.933 -13.632 -3.638 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.769 -11.610 -3.021 1.00 0.00 C ATOM 72 CE2 TYR C 5 87.854 -13.205 -4.602 1.00 0.00 C ATOM 73 CZ TYR C 5 88.772 -12.194 -4.294 1.00 0.00 C ATOM 74 OH TYR C 5 89.679 -11.772 -5.245 1.00 0.00 O ATOM 0 HA TYR C 5 87.477 -14.296 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR C 5 85.022 -13.849 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.664 -12.675 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR C 5 87.845 -11.586 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR C 5 86.224 -14.412 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR C 5 89.477 -10.830 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR C 5 87.856 -13.656 -5.583 1.00 0.00 H new ATOM 0 HH TYR C 5 89.546 -12.281 -6.072 1.00 0.00 H new ATOM 84 N LYS C 6 84.575 -15.845 0.212 1.00 0.00 N ATOM 85 CA LYS C 6 83.568 -16.297 1.168 1.00 0.00 C ATOM 86 C LYS C 6 84.215 -16.604 2.515 1.00 0.00 C ATOM 87 O LYS C 6 83.745 -16.158 3.562 1.00 0.00 O ATOM 88 CB LYS C 6 82.865 -17.553 0.654 1.00 0.00 C ATOM 89 CG LYS C 6 81.679 -17.149 -0.225 1.00 0.00 C ATOM 90 CD LYS C 6 80.463 -16.866 0.658 1.00 0.00 C ATOM 91 CE LYS C 6 79.200 -16.842 -0.205 1.00 0.00 C ATOM 92 NZ LYS C 6 78.637 -15.463 -0.223 1.00 0.00 N ATOM 0 H LYS C 6 84.447 -16.192 -0.739 1.00 0.00 H new ATOM 0 HA LYS C 6 82.836 -15.498 1.289 1.00 0.00 H new ATOM 0 HB2 LYS C 6 83.563 -18.166 0.083 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.521 -18.159 1.492 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.931 -16.264 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS C 6 81.450 -17.945 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.375 -17.631 1.429 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.586 -15.911 1.169 1.00 0.00 H new ATOM 0 HE2 LYS C 6 79.434 -17.164 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.464 -17.542 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 77.778 -15.446 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 78.399 -15.172 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.340 -14.806 -0.619 1.00 0.00 H new ATOM 106 N ALA C 7 85.302 -17.369 2.475 1.00 0.00 N ATOM 107 CA ALA C 7 86.010 -17.729 3.700 1.00 0.00 C ATOM 108 C ALA C 7 86.407 -16.471 4.465 1.00 0.00 C ATOM 109 O ALA C 7 85.945 -16.233 5.581 1.00 0.00 O ATOM 110 CB ALA C 7 87.268 -18.537 3.376 1.00 0.00 C ATOM 0 H ALA C 7 85.708 -17.748 1.619 1.00 0.00 H new ATOM 0 HA ALA C 7 85.343 -18.335 4.313 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.782 -18.796 4.301 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.989 -19.449 2.848 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.930 -17.942 2.747 1.00 0.00 H new ATOM 116 N ALA C 8 87.269 -15.667 3.849 1.00 0.00 N ATOM 117 CA ALA C 8 87.723 -14.431 4.478 1.00 0.00 C ATOM 118 C ALA C 8 86.528 -13.558 4.851 1.00 0.00 C ATOM 119 O ALA C 8 86.603 -12.735 5.764 1.00 0.00 O ATOM 120 CB ALA C 8 88.634 -13.650 3.529 1.00 0.00 C ATOM 0 H ALA C 8 87.663 -15.846 2.926 1.00 0.00 H new ATOM 0 HA ALA C 8 88.279 -14.694 5.378 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.963 -12.731 4.014 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.503 -14.258 3.276 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.086 -13.404 2.619 1.00 0.00 H new ATOM 126 N VAL C 9 85.425 -13.750 4.133 1.00 0.00 N ATOM 127 CA VAL C 9 84.212 -12.978 4.391 1.00 0.00 C ATOM 128 C VAL C 9 83.396 -13.628 5.504 1.00 0.00 C ATOM 129 O VAL C 9 82.530 -12.996 6.110 1.00 0.00 O ATOM 130 CB VAL C 9 83.352 -12.895 3.129 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.986 -12.300 3.478 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.046 -12.003 2.097 1.00 0.00 C ATOM 0 H VAL C 9 85.345 -14.427 3.374 1.00 0.00 H new ATOM 0 HA VAL C 9 84.510 -11.974 4.694 1.00 0.00 H new ATOM 0 HB VAL C 9 83.218 -13.895 2.716 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.374 -12.241 2.578 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.490 -12.934 4.213 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.119 -11.300 3.892 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.434 -11.943 1.197 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.180 -11.004 2.511 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.019 -12.426 1.846 1.00 0.00 H new ATOM 142 N GLU C 10 83.687 -14.898 5.769 1.00 0.00 N ATOM 143 CA GLU C 10 82.980 -15.628 6.816 1.00 0.00 C ATOM 144 C GLU C 10 83.667 -15.417 8.160 1.00 0.00 C ATOM 145 O GLU C 10 83.147 -15.799 9.209 1.00 0.00 O ATOM 146 CB GLU C 10 82.945 -17.124 6.496 1.00 0.00 C ATOM 147 CG GLU C 10 81.860 -17.396 5.451 1.00 0.00 C ATOM 148 CD GLU C 10 80.548 -17.731 6.152 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.415 -18.852 6.614 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.694 -16.862 6.216 1.00 0.00 O ATOM 0 H GLU C 10 84.400 -15.438 5.279 1.00 0.00 H new ATOM 0 HA GLU C 10 81.959 -15.249 6.866 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.916 -17.450 6.122 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.744 -17.696 7.402 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.730 -16.523 4.811 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.161 -18.222 4.806 1.00 0.00 H new ATOM 157 N GLN C 11 84.844 -14.799 8.114 1.00 0.00 N ATOM 158 CA GLN C 11 85.607 -14.530 9.326 1.00 0.00 C ATOM 159 C GLN C 11 85.033 -13.321 10.053 1.00 0.00 C ATOM 160 O GLN C 11 84.887 -13.319 11.275 1.00 0.00 O ATOM 161 CB GLN C 11 87.063 -14.235 8.975 1.00 0.00 C ATOM 162 CG GLN C 11 87.730 -15.507 8.445 1.00 0.00 C ATOM 163 CD GLN C 11 89.240 -15.407 8.630 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.835 -16.190 9.370 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.903 -14.481 7.993 1.00 0.00 N ATOM 0 H GLN C 11 85.287 -14.477 7.254 1.00 0.00 H new ATOM 0 HA GLN C 11 85.549 -15.410 9.967 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.114 -13.446 8.225 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.594 -13.873 9.855 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.345 -16.379 8.974 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.491 -15.643 7.390 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.411 -13.832 7.380 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.914 -14.406 8.109 1.00 0.00 H new ATOM 174 N LEU C 12 84.723 -12.287 9.280 1.00 0.00 N ATOM 175 CA LEU C 12 84.178 -11.060 9.846 1.00 0.00 C ATOM 176 C LEU C 12 82.884 -11.341 10.604 1.00 0.00 C ATOM 177 O LEU C 12 81.860 -11.677 10.010 1.00 0.00 O ATOM 178 CB LEU C 12 83.899 -10.042 8.740 1.00 0.00 C ATOM 179 CG LEU C 12 85.174 -9.816 7.928 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.979 -8.624 6.989 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.338 -9.530 8.881 1.00 0.00 C ATOM 0 H LEU C 12 84.839 -12.273 8.267 1.00 0.00 H new ATOM 0 HA LEU C 12 84.916 -10.655 10.538 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.100 -10.402 8.092 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.558 -9.101 9.173 1.00 0.00 H new ATOM 0 HG LEU C 12 85.394 -10.707 7.340 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.889 -8.464 6.411 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.149 -8.826 6.312 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.760 -7.731 7.575 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.249 -9.368 8.305 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.117 -8.639 9.468 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.478 -10.379 9.550 1.00 0.00 H new ATOM 193 N THR C 13 82.942 -11.195 11.925 1.00 0.00 N ATOM 194 CA THR C 13 81.766 -11.431 12.759 1.00 0.00 C ATOM 195 C THR C 13 80.746 -10.315 12.563 1.00 0.00 C ATOM 196 O THR C 13 81.072 -9.237 12.068 1.00 0.00 O ATOM 197 CB THR C 13 82.160 -11.491 14.237 1.00 0.00 C ATOM 198 OG1 THR C 13 82.649 -10.222 14.648 1.00 0.00 O ATOM 199 CG2 THR C 13 83.248 -12.548 14.435 1.00 0.00 C ATOM 0 H THR C 13 83.780 -10.918 12.437 1.00 0.00 H new ATOM 0 HA THR C 13 81.327 -12.384 12.462 1.00 0.00 H new ATOM 0 HB THR C 13 81.288 -11.755 14.835 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.184 -10.326 15.462 1.00 0.00 H new ATOM 0 HG21 THR C 13 83.528 -12.590 15.488 1.00 0.00 H new ATOM 0 HG22 THR C 13 82.871 -13.521 14.121 1.00 0.00 H new ATOM 0 HG23 THR C 13 84.122 -12.287 13.838 1.00 0.00 H new ATOM 207 N GLU C 14 79.507 -10.586 12.959 1.00 0.00 N ATOM 208 CA GLU C 14 78.443 -9.595 12.823 1.00 0.00 C ATOM 209 C GLU C 14 78.907 -8.244 13.356 1.00 0.00 C ATOM 210 O GLU C 14 78.428 -7.193 12.928 1.00 0.00 O ATOM 211 CB GLU C 14 77.200 -10.034 13.597 1.00 0.00 C ATOM 212 CG GLU C 14 76.486 -11.148 12.830 1.00 0.00 C ATOM 213 CD GLU C 14 75.599 -10.535 11.752 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.661 -9.329 11.577 1.00 0.00 O ATOM 215 OE2 GLU C 14 74.869 -11.279 11.118 1.00 0.00 O ATOM 0 H GLU C 14 79.216 -11.472 13.372 1.00 0.00 H new ATOM 0 HA GLU C 14 78.198 -9.506 11.765 1.00 0.00 H new ATOM 0 HB2 GLU C 14 77.482 -10.385 14.590 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.528 -9.187 13.737 1.00 0.00 H new ATOM 0 HG2 GLU C 14 77.217 -11.818 12.377 1.00 0.00 H new ATOM 0 HG3 GLU C 14 75.885 -11.747 13.514 1.00 0.00 H new ATOM 222 N GLU C 15 79.843 -8.284 14.300 1.00 0.00 N ATOM 223 CA GLU C 15 80.365 -7.055 14.892 1.00 0.00 C ATOM 224 C GLU C 15 80.802 -6.080 13.806 1.00 0.00 C ATOM 225 O GLU C 15 80.156 -5.057 13.575 1.00 0.00 O ATOM 226 CB GLU C 15 81.562 -7.353 15.796 1.00 0.00 C ATOM 227 CG GLU C 15 81.219 -8.504 16.743 1.00 0.00 C ATOM 228 CD GLU C 15 82.160 -8.474 17.942 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.817 -7.463 18.129 1.00 0.00 O ATOM 230 OE2 GLU C 15 82.212 -9.463 18.655 1.00 0.00 O ATOM 0 H GLU C 15 80.252 -9.143 14.668 1.00 0.00 H new ATOM 0 HA GLU C 15 79.565 -6.610 15.484 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.431 -7.613 15.191 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.827 -6.465 16.369 1.00 0.00 H new ATOM 0 HG2 GLU C 15 80.185 -8.418 17.077 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.308 -9.457 16.221 1.00 0.00 H new ATOM 237 N GLN C 16 81.910 -6.403 13.144 1.00 0.00 N ATOM 238 CA GLN C 16 82.425 -5.539 12.087 1.00 0.00 C ATOM 239 C GLN C 16 81.459 -5.534 10.900 1.00 0.00 C ATOM 240 O GLN C 16 81.123 -4.481 10.359 1.00 0.00 O ATOM 241 CB GLN C 16 83.840 -5.999 11.660 1.00 0.00 C ATOM 242 CG GLN C 16 83.893 -6.379 10.171 1.00 0.00 C ATOM 243 CD GLN C 16 85.348 -6.458 9.721 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.232 -6.785 10.513 1.00 0.00 O ATOM 245 NE2 GLN C 16 85.652 -6.172 8.485 1.00 0.00 N ATOM 0 H GLN C 16 82.461 -7.244 13.317 1.00 0.00 H new ATOM 0 HA GLN C 16 82.506 -4.519 12.463 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.556 -5.201 11.857 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.142 -6.855 12.264 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.399 -7.337 10.011 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.356 -5.640 9.576 1.00 0.00 H new ATOM 0 HE21 GLN C 16 84.919 -5.901 7.829 1.00 0.00 H new ATOM 0 HE22 GLN C 16 86.622 -6.219 8.174 1.00 0.00 H new ATOM 254 N LYS C 17 81.018 -6.725 10.506 1.00 0.00 N ATOM 255 CA LYS C 17 80.090 -6.850 9.386 1.00 0.00 C ATOM 256 C LYS C 17 79.070 -5.715 9.414 1.00 0.00 C ATOM 257 O LYS C 17 78.681 -5.184 8.374 1.00 0.00 O ATOM 258 CB LYS C 17 79.352 -8.189 9.450 1.00 0.00 C ATOM 259 CG LYS C 17 78.971 -8.633 8.036 1.00 0.00 C ATOM 260 CD LYS C 17 80.221 -9.112 7.294 1.00 0.00 C ATOM 261 CE LYS C 17 79.973 -10.513 6.733 1.00 0.00 C ATOM 262 NZ LYS C 17 79.017 -10.431 5.592 1.00 0.00 N ATOM 0 H LYS C 17 81.284 -7.609 10.940 1.00 0.00 H new ATOM 0 HA LYS C 17 80.665 -6.799 8.462 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.984 -8.942 9.921 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.458 -8.094 10.066 1.00 0.00 H new ATOM 0 HG2 LYS C 17 78.234 -9.434 8.082 1.00 0.00 H new ATOM 0 HG3 LYS C 17 78.510 -7.806 7.496 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.464 -8.422 6.486 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.076 -9.125 7.970 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.913 -10.955 6.402 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.572 -11.162 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.901 -11.373 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 78.096 -10.090 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 79.386 -9.773 4.877 1.00 0.00 H new ATOM 276 N ASN C 18 78.645 -5.348 10.621 1.00 0.00 N ATOM 277 CA ASN C 18 77.671 -4.271 10.781 1.00 0.00 C ATOM 278 C ASN C 18 78.278 -2.941 10.349 1.00 0.00 C ATOM 279 O ASN C 18 77.936 -2.397 9.299 1.00 0.00 O ATOM 280 CB ASN C 18 77.223 -4.163 12.240 1.00 0.00 C ATOM 281 CG ASN C 18 76.483 -5.433 12.642 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.780 -6.033 11.829 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.600 -5.884 13.861 1.00 0.00 N ATOM 0 H ASN C 18 78.956 -5.775 11.494 1.00 0.00 H new ATOM 0 HA ASN C 18 76.809 -4.501 10.155 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.088 -4.014 12.887 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.575 -3.296 12.369 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.109 -6.733 14.140 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.182 -5.387 14.535 1.00 0.00 H new ATOM 290 N GLU C 19 79.185 -2.424 11.172 1.00 0.00 N ATOM 291 CA GLU C 19 79.839 -1.156 10.864 1.00 0.00 C ATOM 292 C GLU C 19 80.174 -1.087 9.378 1.00 0.00 C ATOM 293 O GLU C 19 80.209 -0.010 8.783 1.00 0.00 O ATOM 294 CB GLU C 19 81.126 -1.003 11.678 1.00 0.00 C ATOM 295 CG GLU C 19 81.903 -2.322 11.670 1.00 0.00 C ATOM 296 CD GLU C 19 83.140 -2.192 12.552 1.00 0.00 C ATOM 297 OE1 GLU C 19 82.998 -1.733 13.674 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.211 -2.553 12.093 1.00 0.00 O ATOM 0 H GLU C 19 79.481 -2.857 12.047 1.00 0.00 H new ATOM 0 HA GLU C 19 79.155 -0.348 11.123 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.740 -0.206 11.259 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.888 -0.717 12.702 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.269 -3.131 12.032 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.195 -2.577 10.651 1.00 0.00 H new ATOM 305 N PHE C 20 80.415 -2.254 8.786 1.00 0.00 N ATOM 306 CA PHE C 20 80.742 -2.324 7.365 1.00 0.00 C ATOM 307 C PHE C 20 79.612 -1.725 6.534 1.00 0.00 C ATOM 308 O PHE C 20 79.797 -0.730 5.833 1.00 0.00 O ATOM 309 CB PHE C 20 80.956 -3.778 6.938 1.00 0.00 C ATOM 310 CG PHE C 20 82.246 -3.900 6.159 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.716 -2.820 5.403 1.00 0.00 C ATOM 312 CD2 PHE C 20 82.969 -5.099 6.192 1.00 0.00 C ATOM 313 CE1 PHE C 20 83.910 -2.938 4.680 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.162 -5.217 5.469 1.00 0.00 C ATOM 315 CZ PHE C 20 84.632 -4.137 4.713 1.00 0.00 C ATOM 0 H PHE C 20 80.390 -3.155 9.263 1.00 0.00 H new ATOM 0 HA PHE C 20 81.659 -1.758 7.199 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.989 -4.423 7.816 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.118 -4.114 6.327 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.158 -1.896 5.377 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.606 -5.933 6.775 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.273 -2.104 4.097 1.00 0.00 H new ATOM 0 HE2 PHE C 20 84.720 -6.142 5.495 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.552 -4.229 4.155 1.00 0.00 H new ATOM 325 N LYS C 21 78.438 -2.344 6.624 1.00 0.00 N ATOM 326 CA LYS C 21 77.277 -1.867 5.879 1.00 0.00 C ATOM 327 C LYS C 21 77.069 -0.375 6.121 1.00 0.00 C ATOM 328 O LYS C 21 76.729 0.376 5.207 1.00 0.00 O ATOM 329 CB LYS C 21 76.019 -2.625 6.306 1.00 0.00 C ATOM 330 CG LYS C 21 76.277 -4.129 6.210 1.00 0.00 C ATOM 331 CD LYS C 21 74.943 -4.877 6.180 1.00 0.00 C ATOM 332 CE LYS C 21 75.205 -6.380 6.072 1.00 0.00 C ATOM 333 NZ LYS C 21 75.976 -6.663 4.828 1.00 0.00 N ATOM 0 H LYS C 21 78.266 -3.169 7.199 1.00 0.00 H new ATOM 0 HA LYS C 21 77.460 -2.041 4.819 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.747 -2.356 7.327 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.179 -2.347 5.669 1.00 0.00 H new ATOM 0 HG2 LYS C 21 76.852 -4.353 5.311 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.873 -4.461 7.060 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.372 -4.660 7.083 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.343 -4.540 5.335 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.761 -6.726 6.943 1.00 0.00 H new ATOM 0 HE3 LYS C 21 74.261 -6.924 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.593 -7.513 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 75.898 -5.854 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 76.976 -6.820 5.067 1.00 0.00 H new ATOM 347 N ALA C 22 77.282 0.047 7.363 1.00 0.00 N ATOM 348 CA ALA C 22 77.120 1.456 7.712 1.00 0.00 C ATOM 349 C ALA C 22 77.836 2.331 6.691 1.00 0.00 C ATOM 350 O ALA C 22 77.242 3.231 6.098 1.00 0.00 O ATOM 351 CB ALA C 22 77.696 1.736 9.101 1.00 0.00 C ATOM 0 H ALA C 22 77.563 -0.556 8.136 1.00 0.00 H new ATOM 0 HA ALA C 22 76.055 1.687 7.713 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.566 2.791 9.343 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.175 1.127 9.840 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.758 1.490 9.111 1.00 0.00 H new ATOM 357 N ALA C 23 79.119 2.053 6.489 1.00 0.00 N ATOM 358 CA ALA C 23 79.909 2.819 5.532 1.00 0.00 C ATOM 359 C ALA C 23 79.375 2.608 4.118 1.00 0.00 C ATOM 360 O ALA C 23 79.626 3.409 3.217 1.00 0.00 O ATOM 361 CB ALA C 23 81.376 2.394 5.586 1.00 0.00 C ATOM 0 H ALA C 23 79.630 1.312 6.969 1.00 0.00 H new ATOM 0 HA ALA C 23 79.832 3.874 5.795 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.950 2.976 4.865 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.769 2.568 6.588 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.457 1.334 5.343 1.00 0.00 H new ATOM 367 N PHE C 24 78.629 1.521 3.937 1.00 0.00 N ATOM 368 CA PHE C 24 78.056 1.211 2.630 1.00 0.00 C ATOM 369 C PHE C 24 76.972 2.222 2.276 1.00 0.00 C ATOM 370 O PHE C 24 76.715 2.496 1.104 1.00 0.00 O ATOM 371 CB PHE C 24 77.441 -0.190 2.629 1.00 0.00 C ATOM 372 CG PHE C 24 78.108 -1.035 1.572 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.163 -0.589 0.245 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.671 -2.269 1.919 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.780 -1.377 -0.732 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.289 -3.056 0.941 1.00 0.00 C ATOM 377 CZ PHE C 24 79.344 -2.611 -0.384 1.00 0.00 C ATOM 0 H PHE C 24 78.409 0.847 4.670 1.00 0.00 H new ATOM 0 HA PHE C 24 78.858 1.255 1.893 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.563 -0.652 3.609 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.370 -0.128 2.437 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.729 0.363 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.628 -2.613 2.942 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.822 -1.034 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.724 -4.008 1.209 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.821 -3.219 -1.139 1.00 0.00 H new ATOM 387 N ASP C 25 76.338 2.772 3.307 1.00 0.00 N ATOM 388 CA ASP C 25 75.280 3.755 3.099 1.00 0.00 C ATOM 389 C ASP C 25 75.871 5.154 2.949 1.00 0.00 C ATOM 390 O ASP C 25 75.143 6.144 2.883 1.00 0.00 O ATOM 391 CB ASP C 25 74.306 3.751 4.279 1.00 0.00 C ATOM 392 CG ASP C 25 73.075 2.926 3.921 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.531 3.143 2.851 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.692 2.091 4.724 1.00 0.00 O ATOM 0 H ASP C 25 76.535 2.557 4.284 1.00 0.00 H new ATOM 0 HA ASP C 25 74.748 3.486 2.187 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.791 3.336 5.163 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.013 4.772 4.526 1.00 0.00 H new ATOM 399 N ILE C 26 77.199 5.225 2.892 1.00 0.00 N ATOM 400 CA ILE C 26 77.873 6.512 2.746 1.00 0.00 C ATOM 401 C ILE C 26 78.528 6.605 1.374 1.00 0.00 C ATOM 402 O ILE C 26 78.222 7.496 0.582 1.00 0.00 O ATOM 403 CB ILE C 26 78.944 6.706 3.822 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.708 5.733 4.981 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.874 8.142 4.341 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.483 6.170 5.785 1.00 0.00 C ATOM 0 H ILE C 26 77.822 4.419 2.944 1.00 0.00 H new ATOM 0 HA ILE C 26 77.121 7.293 2.856 1.00 0.00 H new ATOM 0 HB ILE C 26 79.927 6.512 3.392 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.560 4.724 4.596 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.586 5.703 5.626 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.634 8.289 5.108 1.00 0.00 H new ATOM 0 HG22 ILE C 26 79.050 8.835 3.518 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.888 8.327 4.767 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.321 5.474 6.608 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.648 7.171 6.184 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.606 6.177 5.137 1.00 0.00 H new ATOM 418 N PHE C 27 79.429 5.667 1.100 1.00 0.00 N ATOM 419 CA PHE C 27 80.120 5.643 -0.184 1.00 0.00 C ATOM 420 C PHE C 27 79.119 5.846 -1.317 1.00 0.00 C ATOM 421 O PHE C 27 79.329 6.661 -2.216 1.00 0.00 O ATOM 422 CB PHE C 27 80.829 4.302 -0.383 1.00 0.00 C ATOM 423 CG PHE C 27 82.033 4.221 0.525 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.888 5.321 0.658 1.00 0.00 C ATOM 425 CD2 PHE C 27 82.296 3.041 1.233 1.00 0.00 C ATOM 426 CE1 PHE C 27 84.006 5.242 1.497 1.00 0.00 C ATOM 427 CE2 PHE C 27 83.413 2.962 2.072 1.00 0.00 C ATOM 428 CZ PHE C 27 84.268 4.063 2.204 1.00 0.00 C ATOM 0 H PHE C 27 79.696 4.921 1.742 1.00 0.00 H new ATOM 0 HA PHE C 27 80.857 6.446 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.144 3.482 -0.168 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.138 4.194 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.685 6.231 0.113 1.00 0.00 H new ATOM 0 HD2 PHE C 27 81.636 2.192 1.131 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.666 6.091 1.599 1.00 0.00 H new ATOM 0 HE2 PHE C 27 83.616 2.052 2.618 1.00 0.00 H new ATOM 0 HZ PHE C 27 85.130 4.002 2.852 1.00 0.00 H new ATOM 438 N VAL C 28 78.023 5.094 -1.254 1.00 0.00 N ATOM 439 CA VAL C 28 76.978 5.189 -2.269 1.00 0.00 C ATOM 440 C VAL C 28 75.720 5.797 -1.662 1.00 0.00 C ATOM 441 O VAL C 28 74.602 5.374 -1.956 1.00 0.00 O ATOM 442 CB VAL C 28 76.639 3.803 -2.818 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.884 3.187 -3.458 1.00 0.00 C ATOM 444 CG2 VAL C 28 76.161 2.909 -1.673 1.00 0.00 C ATOM 0 H VAL C 28 77.836 4.416 -0.515 1.00 0.00 H new ATOM 0 HA VAL C 28 77.344 5.820 -3.079 1.00 0.00 H new ATOM 0 HB VAL C 28 75.853 3.891 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.641 2.199 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL C 28 78.228 3.825 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.671 3.098 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.918 1.920 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.950 2.822 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.274 3.347 -1.215 1.00 0.00 H new ATOM 454 N LEU C 29 75.918 6.791 -0.800 1.00 0.00 N ATOM 455 CA LEU C 29 74.796 7.451 -0.141 1.00 0.00 C ATOM 456 C LEU C 29 73.944 8.223 -1.151 1.00 0.00 C ATOM 457 O LEU C 29 72.871 8.728 -0.821 1.00 0.00 O ATOM 458 CB LEU C 29 75.307 8.398 0.957 1.00 0.00 C ATOM 459 CG LEU C 29 75.667 9.763 0.366 1.00 0.00 C ATOM 460 CD1 LEU C 29 74.567 10.770 0.709 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.995 10.239 0.960 1.00 0.00 C ATOM 0 H LEU C 29 76.836 7.154 -0.544 1.00 0.00 H new ATOM 0 HA LEU C 29 74.171 6.684 0.315 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.543 8.518 1.725 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.181 7.963 1.442 1.00 0.00 H new ATOM 0 HG LEU C 29 75.761 9.679 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.821 11.743 0.289 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.620 10.430 0.291 1.00 0.00 H new ATOM 0 HD13 LEU C 29 74.476 10.855 1.792 1.00 0.00 H new ATOM 0 HD21 LEU C 29 77.254 11.211 0.540 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.900 10.325 2.042 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.779 9.520 0.721 1.00 0.00 H new ATOM 473 N GLY C 30 74.434 8.302 -2.384 1.00 0.00 N ATOM 474 CA GLY C 30 73.710 9.010 -3.439 1.00 0.00 C ATOM 475 C GLY C 30 73.372 8.070 -4.594 1.00 0.00 C ATOM 476 O GLY C 30 72.419 8.299 -5.340 1.00 0.00 O ATOM 0 H GLY C 30 75.320 7.890 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.793 9.437 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY C 30 74.314 9.840 -3.805 1.00 0.00 H new ATOM 480 N ALA C 31 74.166 7.012 -4.735 1.00 0.00 N ATOM 481 CA ALA C 31 73.946 6.041 -5.806 1.00 0.00 C ATOM 482 C ALA C 31 72.551 5.433 -5.706 1.00 0.00 C ATOM 483 O ALA C 31 71.782 5.746 -4.797 1.00 0.00 O ATOM 484 CB ALA C 31 74.985 4.921 -5.733 1.00 0.00 C ATOM 0 H ALA C 31 74.960 6.805 -4.129 1.00 0.00 H new ATOM 0 HA ALA C 31 74.042 6.566 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.807 4.207 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.984 5.344 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.905 4.413 -4.772 1.00 0.00 H new ATOM 490 N GLU C 32 72.234 4.561 -6.659 1.00 0.00 N ATOM 491 CA GLU C 32 70.926 3.911 -6.684 1.00 0.00 C ATOM 492 C GLU C 32 70.957 2.605 -5.895 1.00 0.00 C ATOM 493 O GLU C 32 70.147 2.390 -4.994 1.00 0.00 O ATOM 494 CB GLU C 32 70.514 3.613 -8.126 1.00 0.00 C ATOM 495 CG GLU C 32 69.146 4.238 -8.408 1.00 0.00 C ATOM 496 CD GLU C 32 69.047 4.603 -9.886 1.00 0.00 C ATOM 497 OE1 GLU C 32 69.853 5.401 -10.334 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.165 4.080 -10.547 1.00 0.00 O ATOM 0 H GLU C 32 72.858 4.289 -7.418 1.00 0.00 H new ATOM 0 HA GLU C 32 70.204 4.588 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.257 4.012 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.474 2.536 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.353 3.539 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.007 5.127 -7.793 1.00 0.00 H new ATOM 505 N ASP C 33 71.900 1.735 -6.245 1.00 0.00 N ATOM 506 CA ASP C 33 72.025 0.449 -5.560 1.00 0.00 C ATOM 507 C ASP C 33 73.221 0.462 -4.615 1.00 0.00 C ATOM 508 O ASP C 33 73.079 0.709 -3.417 1.00 0.00 O ATOM 509 CB ASP C 33 72.193 -0.701 -6.562 1.00 0.00 C ATOM 510 CG ASP C 33 72.674 -0.164 -7.907 1.00 0.00 C ATOM 511 OD1 ASP C 33 71.848 0.332 -8.655 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.861 -0.258 -8.168 1.00 0.00 O ATOM 0 H ASP C 33 72.581 1.892 -6.988 1.00 0.00 H new ATOM 0 HA ASP C 33 71.108 0.292 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.908 -1.428 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.245 -1.223 -6.689 1.00 0.00 H new ATOM 517 N GLY C 34 74.402 0.191 -5.162 1.00 0.00 N ATOM 518 CA GLY C 34 75.615 0.174 -4.350 1.00 0.00 C ATOM 519 C GLY C 34 76.859 0.298 -5.221 1.00 0.00 C ATOM 520 O GLY C 34 77.769 -0.528 -5.149 1.00 0.00 O ATOM 0 H GLY C 34 74.545 -0.017 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.587 0.993 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.660 -0.752 -3.776 1.00 0.00 H new ATOM 524 N CYS C 35 76.891 1.342 -6.043 1.00 0.00 N ATOM 525 CA CYS C 35 78.033 1.568 -6.923 1.00 0.00 C ATOM 526 C CYS C 35 78.869 2.736 -6.415 1.00 0.00 C ATOM 527 O CYS C 35 78.343 3.798 -6.081 1.00 0.00 O ATOM 528 CB CYS C 35 77.566 1.874 -8.346 1.00 0.00 C ATOM 529 SG CYS C 35 76.357 0.631 -8.864 1.00 0.00 S ATOM 0 H CYS C 35 76.149 2.038 -6.119 1.00 0.00 H new ATOM 0 HA CYS C 35 78.636 0.660 -6.929 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.122 2.869 -8.389 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.417 1.875 -9.027 1.00 0.00 H new ATOM 0 HG CYS C 35 75.274 0.757 -8.156 1.00 0.00 H new ATOM 535 N ILE C 36 80.180 2.528 -6.361 1.00 0.00 N ATOM 536 CA ILE C 36 81.089 3.570 -5.893 1.00 0.00 C ATOM 537 C ILE C 36 81.846 4.180 -7.066 1.00 0.00 C ATOM 538 O ILE C 36 82.743 3.559 -7.635 1.00 0.00 O ATOM 539 CB ILE C 36 82.099 2.998 -4.898 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.444 1.879 -4.086 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.565 4.105 -3.951 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.523 1.091 -3.343 1.00 0.00 C ATOM 0 H ILE C 36 80.635 1.656 -6.632 1.00 0.00 H new ATOM 0 HA ILE C 36 80.492 4.338 -5.402 1.00 0.00 H new ATOM 0 HB ILE C 36 82.954 2.598 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.732 2.299 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.884 1.216 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.285 3.698 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.034 4.903 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.708 4.505 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE C 36 82.057 0.293 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE C 36 83.218 0.659 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE C 36 83.064 1.758 -2.672 1.00 0.00 H new ATOM 554 N SER C 37 81.477 5.406 -7.419 1.00 0.00 N ATOM 555 CA SER C 37 82.130 6.095 -8.526 1.00 0.00 C ATOM 556 C SER C 37 83.171 7.077 -7.996 1.00 0.00 C ATOM 557 O SER C 37 83.165 7.437 -6.819 1.00 0.00 O ATOM 558 CB SER C 37 81.098 6.847 -9.374 1.00 0.00 C ATOM 559 OG SER C 37 81.523 8.190 -9.571 1.00 0.00 O ATOM 0 H SER C 37 80.738 5.939 -6.961 1.00 0.00 H new ATOM 0 HA SER C 37 82.624 5.350 -9.149 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.973 6.351 -10.336 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.127 6.832 -8.879 1.00 0.00 H new ATOM 0 HG SER C 37 80.861 8.666 -10.115 1.00 0.00 H new ATOM 565 N THR C 38 84.065 7.504 -8.882 1.00 0.00 N ATOM 566 CA THR C 38 85.117 8.445 -8.499 1.00 0.00 C ATOM 567 C THR C 38 84.507 9.735 -7.962 1.00 0.00 C ATOM 568 O THR C 38 85.128 10.455 -7.180 1.00 0.00 O ATOM 569 CB THR C 38 86.006 8.786 -9.699 1.00 0.00 C ATOM 570 OG1 THR C 38 85.419 9.851 -10.433 1.00 0.00 O ATOM 571 CG2 THR C 38 86.151 7.562 -10.603 1.00 0.00 C ATOM 0 H THR C 38 84.085 7.218 -9.861 1.00 0.00 H new ATOM 0 HA THR C 38 85.719 7.970 -7.725 1.00 0.00 H new ATOM 0 HB THR C 38 86.992 9.086 -9.343 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.987 10.072 -11.200 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.784 7.811 -11.454 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.604 6.746 -10.040 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.168 7.255 -10.960 1.00 0.00 H new ATOM 579 N LYS C 39 83.285 10.022 -8.399 1.00 0.00 N ATOM 580 CA LYS C 39 82.594 11.235 -7.966 1.00 0.00 C ATOM 581 C LYS C 39 81.876 11.007 -6.639 1.00 0.00 C ATOM 582 O LYS C 39 81.610 11.950 -5.893 1.00 0.00 O ATOM 583 CB LYS C 39 81.567 11.666 -9.015 1.00 0.00 C ATOM 584 CG LYS C 39 81.696 13.168 -9.274 1.00 0.00 C ATOM 585 CD LYS C 39 80.346 13.728 -9.725 1.00 0.00 C ATOM 586 CE LYS C 39 80.383 14.000 -11.230 1.00 0.00 C ATOM 587 NZ LYS C 39 81.534 14.893 -11.545 1.00 0.00 N ATOM 0 H LYS C 39 82.755 9.438 -9.047 1.00 0.00 H new ATOM 0 HA LYS C 39 83.343 12.016 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.724 11.112 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.560 11.432 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.028 13.676 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.451 13.352 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS C 39 79.551 13.020 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS C 39 80.123 14.648 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS C 39 80.476 13.062 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS C 39 79.450 14.465 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 81.269 15.544 -12.312 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 81.790 15.441 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 82.347 14.318 -11.845 1.00 0.00 H new ATOM 601 N GLU C 40 81.555 9.748 -6.356 1.00 0.00 N ATOM 602 CA GLU C 40 80.854 9.414 -5.118 1.00 0.00 C ATOM 603 C GLU C 40 81.839 9.207 -3.968 1.00 0.00 C ATOM 604 O GLU C 40 81.884 9.996 -3.025 1.00 0.00 O ATOM 605 CB GLU C 40 80.025 8.140 -5.300 1.00 0.00 C ATOM 606 CG GLU C 40 78.634 8.508 -5.821 1.00 0.00 C ATOM 607 CD GLU C 40 77.874 9.278 -4.746 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.844 8.810 -3.619 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.334 10.325 -5.065 1.00 0.00 O ATOM 0 H GLU C 40 81.765 8.951 -6.957 1.00 0.00 H new ATOM 0 HA GLU C 40 80.196 10.249 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.521 7.467 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.941 7.609 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.721 9.113 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.086 7.606 -6.093 1.00 0.00 H new ATOM 616 N LEU C 41 82.618 8.131 -4.054 1.00 0.00 N ATOM 617 CA LEU C 41 83.595 7.816 -3.010 1.00 0.00 C ATOM 618 C LEU C 41 84.214 9.091 -2.442 1.00 0.00 C ATOM 619 O LEU C 41 84.262 9.286 -1.228 1.00 0.00 O ATOM 620 CB LEU C 41 84.708 6.925 -3.567 1.00 0.00 C ATOM 621 CG LEU C 41 85.831 6.797 -2.534 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.247 6.357 -1.191 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.847 5.755 -3.010 1.00 0.00 C ATOM 0 H LEU C 41 82.594 7.467 -4.828 1.00 0.00 H new ATOM 0 HA LEU C 41 83.070 7.288 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.311 5.940 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.098 7.349 -4.492 1.00 0.00 H new ATOM 0 HG LEU C 41 86.324 7.762 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.048 6.267 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.524 7.097 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.752 5.393 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.646 5.664 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.352 4.791 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.267 6.067 -3.966 1.00 0.00 H new ATOM 635 N GLY C 42 84.692 9.955 -3.333 1.00 0.00 N ATOM 636 CA GLY C 42 85.311 11.208 -2.907 1.00 0.00 C ATOM 637 C GLY C 42 84.451 11.913 -1.862 1.00 0.00 C ATOM 638 O GLY C 42 84.964 12.516 -0.919 1.00 0.00 O ATOM 0 H GLY C 42 84.664 9.814 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.300 11.008 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.451 11.861 -3.769 1.00 0.00 H new ATOM 642 N LYS C 43 83.136 11.834 -2.044 1.00 0.00 N ATOM 643 CA LYS C 43 82.204 12.472 -1.117 1.00 0.00 C ATOM 644 C LYS C 43 82.432 11.978 0.310 1.00 0.00 C ATOM 645 O LYS C 43 82.553 12.771 1.244 1.00 0.00 O ATOM 646 CB LYS C 43 80.760 12.170 -1.523 1.00 0.00 C ATOM 647 CG LYS C 43 79.891 13.408 -1.285 1.00 0.00 C ATOM 648 CD LYS C 43 79.452 13.993 -2.630 1.00 0.00 C ATOM 649 CE LYS C 43 79.689 15.504 -2.630 1.00 0.00 C ATOM 650 NZ LYS C 43 80.428 15.892 -3.866 1.00 0.00 N ATOM 0 H LYS C 43 82.693 11.339 -2.818 1.00 0.00 H new ATOM 0 HA LYS C 43 82.380 13.547 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.720 11.881 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.378 11.328 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.017 13.143 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.449 14.153 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS C 43 80.011 13.526 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.398 13.779 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.737 16.032 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS C 43 80.259 15.793 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 80.589 16.919 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 81.343 15.398 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.868 15.629 -4.702 1.00 0.00 H new ATOM 664 N VAL C 44 82.484 10.658 0.471 1.00 0.00 N ATOM 665 CA VAL C 44 82.693 10.070 1.793 1.00 0.00 C ATOM 666 C VAL C 44 84.050 10.485 2.356 1.00 0.00 C ATOM 667 O VAL C 44 84.153 10.929 3.499 1.00 0.00 O ATOM 668 CB VAL C 44 82.626 8.543 1.721 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.047 7.950 3.067 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.193 8.110 1.402 1.00 0.00 C ATOM 0 H VAL C 44 82.386 9.982 -0.286 1.00 0.00 H new ATOM 0 HA VAL C 44 81.902 10.435 2.449 1.00 0.00 H new ATOM 0 HB VAL C 44 83.297 8.187 0.940 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.999 6.862 3.016 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.067 8.258 3.297 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.375 8.306 3.848 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.144 7.022 1.351 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.523 8.467 2.184 1.00 0.00 H new ATOM 0 HG23 VAL C 44 80.890 8.532 0.444 1.00 0.00 H new ATOM 680 N MET C 45 85.090 10.335 1.541 1.00 0.00 N ATOM 681 CA MET C 45 86.440 10.696 1.968 1.00 0.00 C ATOM 682 C MET C 45 86.442 12.069 2.638 1.00 0.00 C ATOM 683 O MET C 45 87.013 12.252 3.713 1.00 0.00 O ATOM 684 CB MET C 45 87.393 10.728 0.769 1.00 0.00 C ATOM 685 CG MET C 45 87.567 9.314 0.210 1.00 0.00 C ATOM 686 SD MET C 45 89.219 8.698 0.626 1.00 0.00 S ATOM 687 CE MET C 45 88.898 8.337 2.370 1.00 0.00 C ATOM 0 H MET C 45 85.027 9.970 0.591 1.00 0.00 H new ATOM 0 HA MET C 45 86.776 9.943 2.681 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.999 11.389 -0.003 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.359 11.131 1.071 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.806 8.652 0.623 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.431 9.320 -0.872 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.633 7.619 2.734 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.970 9.256 2.951 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.897 7.918 2.477 1.00 0.00 H new ATOM 697 N ARG C 46 85.802 13.032 1.981 1.00 0.00 N ATOM 698 CA ARG C 46 85.737 14.397 2.507 1.00 0.00 C ATOM 699 C ARG C 46 84.940 14.449 3.808 1.00 0.00 C ATOM 700 O ARG C 46 85.083 15.382 4.599 1.00 0.00 O ATOM 701 CB ARG C 46 85.074 15.326 1.488 1.00 0.00 C ATOM 702 CG ARG C 46 85.786 16.680 1.488 1.00 0.00 C ATOM 703 CD ARG C 46 85.190 17.574 0.397 1.00 0.00 C ATOM 704 NE ARG C 46 83.829 17.985 0.743 1.00 0.00 N ATOM 705 CZ ARG C 46 82.771 17.245 0.410 1.00 0.00 C ATOM 706 NH1 ARG C 46 82.928 16.114 -0.224 1.00 0.00 N ATOM 707 NH2 ARG C 46 81.571 17.653 0.721 1.00 0.00 N ATOM 0 H ARG C 46 85.324 12.897 1.090 1.00 0.00 H new ATOM 0 HA ARG C 46 86.759 14.723 2.701 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.117 14.881 0.494 1.00 0.00 H new ATOM 0 HB3 ARG C 46 84.020 15.458 1.733 1.00 0.00 H new ATOM 0 HG2 ARG C 46 85.680 17.158 2.462 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.853 16.541 1.316 1.00 0.00 H new ATOM 0 HD2 ARG C 46 85.817 18.455 0.261 1.00 0.00 H new ATOM 0 HD3 ARG C 46 85.182 17.039 -0.553 1.00 0.00 H new ATOM 0 HE ARG C 46 83.686 18.858 1.251 1.00 0.00 H new ATOM 0 HH11 ARG C 46 83.865 15.792 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG C 46 82.114 15.553 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG C 46 81.445 18.535 1.217 1.00 0.00 H new ATOM 0 HH22 ARG C 46 80.759 17.090 0.468 1.00 0.00 H new ATOM 721 N MET C 47 84.093 13.447 4.019 1.00 0.00 N ATOM 722 CA MET C 47 83.270 13.402 5.226 1.00 0.00 C ATOM 723 C MET C 47 84.033 12.770 6.387 1.00 0.00 C ATOM 724 O MET C 47 83.463 12.492 7.443 1.00 0.00 O ATOM 725 CB MET C 47 81.994 12.598 4.973 1.00 0.00 C ATOM 726 CG MET C 47 80.775 13.494 5.197 1.00 0.00 C ATOM 727 SD MET C 47 79.271 12.583 4.767 1.00 0.00 S ATOM 728 CE MET C 47 79.519 11.188 5.893 1.00 0.00 C ATOM 0 H MET C 47 83.958 12.664 3.380 1.00 0.00 H new ATOM 0 HA MET C 47 83.012 14.428 5.486 1.00 0.00 H new ATOM 0 HB2 MET C 47 81.992 12.210 3.954 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.955 11.738 5.642 1.00 0.00 H new ATOM 0 HG2 MET C 47 80.733 13.816 6.237 1.00 0.00 H new ATOM 0 HG3 MET C 47 80.855 14.394 4.588 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.551 10.794 6.203 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.083 10.406 5.385 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.073 11.523 6.770 1.00 0.00 H new ATOM 738 N LEU C 48 85.328 12.549 6.185 1.00 0.00 N ATOM 739 CA LEU C 48 86.158 11.952 7.229 1.00 0.00 C ATOM 740 C LEU C 48 87.309 12.887 7.582 1.00 0.00 C ATOM 741 O LEU C 48 87.331 13.495 8.651 1.00 0.00 O ATOM 742 CB LEU C 48 86.732 10.606 6.772 1.00 0.00 C ATOM 743 CG LEU C 48 85.844 10.007 5.680 1.00 0.00 C ATOM 744 CD1 LEU C 48 86.470 8.710 5.166 1.00 0.00 C ATOM 745 CD2 LEU C 48 84.457 9.711 6.255 1.00 0.00 C ATOM 0 H LEU C 48 85.822 12.770 5.320 1.00 0.00 H new ATOM 0 HA LEU C 48 85.529 11.791 8.104 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.746 10.742 6.395 1.00 0.00 H new ATOM 0 HB3 LEU C 48 86.795 9.921 7.618 1.00 0.00 H new ATOM 0 HG LEU C 48 85.753 10.716 4.858 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.837 8.284 4.388 1.00 0.00 H new ATOM 0 HD12 LEU C 48 87.458 8.920 4.755 1.00 0.00 H new ATOM 0 HD13 LEU C 48 86.563 8.000 5.988 1.00 0.00 H new ATOM 0 HD21 LEU C 48 83.824 9.284 5.477 1.00 0.00 H new ATOM 0 HD22 LEU C 48 84.548 9.002 7.078 1.00 0.00 H new ATOM 0 HD23 LEU C 48 84.010 10.635 6.620 1.00 0.00 H new ATOM 757 N GLY C 49 88.266 12.994 6.665 1.00 0.00 N ATOM 758 CA GLY C 49 89.422 13.859 6.880 1.00 0.00 C ATOM 759 C GLY C 49 90.391 13.767 5.707 1.00 0.00 C ATOM 760 O GLY C 49 91.606 13.867 5.877 1.00 0.00 O ATOM 0 H GLY C 49 88.265 12.498 5.774 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.092 14.890 7.005 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.930 13.573 7.801 1.00 0.00 H new ATOM 764 N GLN C 50 89.838 13.575 4.513 1.00 0.00 N ATOM 765 CA GLN C 50 90.661 13.471 3.312 1.00 0.00 C ATOM 766 C GLN C 50 90.023 14.240 2.162 1.00 0.00 C ATOM 767 O GLN C 50 88.805 14.225 1.983 1.00 0.00 O ATOM 768 CB GLN C 50 90.826 12.008 2.897 1.00 0.00 C ATOM 769 CG GLN C 50 92.255 11.550 3.199 1.00 0.00 C ATOM 770 CD GLN C 50 92.766 10.686 2.051 1.00 0.00 C ATOM 771 OE1 GLN C 50 93.182 11.204 1.015 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.760 9.387 2.176 1.00 0.00 N ATOM 0 H GLN C 50 88.835 13.489 4.351 1.00 0.00 H new ATOM 0 HA GLN C 50 91.639 13.896 3.539 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.112 11.384 3.434 1.00 0.00 H new ATOM 0 HB3 GLN C 50 90.613 11.894 1.834 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.904 12.415 3.334 1.00 0.00 H new ATOM 0 HG3 GLN C 50 92.278 10.985 4.131 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.415 8.959 3.035 1.00 0.00 H new ATOM 0 HE22 GLN C 50 93.100 8.800 1.415 1.00 0.00 H new ATOM 781 N ASN C 51 90.862 14.910 1.381 1.00 0.00 N ATOM 782 CA ASN C 51 90.375 15.683 0.244 1.00 0.00 C ATOM 783 C ASN C 51 91.019 15.186 -1.044 1.00 0.00 C ATOM 784 O ASN C 51 91.972 15.779 -1.548 1.00 0.00 O ATOM 785 CB ASN C 51 90.699 17.167 0.425 1.00 0.00 C ATOM 786 CG ASN C 51 89.832 17.996 -0.515 1.00 0.00 C ATOM 787 OD1 ASN C 51 88.935 18.714 -0.073 1.00 0.00 O ATOM 788 ND2 ASN C 51 90.047 17.939 -1.801 1.00 0.00 N ATOM 0 H ASN C 51 91.873 14.934 1.512 1.00 0.00 H new ATOM 0 HA ASN C 51 89.294 15.556 0.186 1.00 0.00 H new ATOM 0 HB2 ASN C 51 90.521 17.465 1.458 1.00 0.00 H new ATOM 0 HB3 ASN C 51 91.754 17.348 0.218 1.00 0.00 H new ATOM 0 HD21 ASN C 51 89.472 18.489 -2.439 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.790 17.344 -2.168 1.00 0.00 H new ATOM 795 N PRO C 52 90.500 14.087 -1.585 1.00 0.00 N ATOM 796 CA PRO C 52 91.022 13.495 -2.826 1.00 0.00 C ATOM 797 C PRO C 52 90.521 14.217 -4.074 1.00 0.00 C ATOM 798 O PRO C 52 89.989 15.325 -3.996 1.00 0.00 O ATOM 799 CB PRO C 52 90.478 12.073 -2.760 1.00 0.00 C ATOM 800 CG PRO C 52 89.250 12.108 -1.856 1.00 0.00 C ATOM 801 CD PRO C 52 89.355 13.370 -0.992 1.00 0.00 C ATOM 0 HA PRO C 52 92.108 13.555 -2.899 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.215 11.714 -3.755 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.230 11.390 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.336 12.124 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.208 11.216 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.442 13.964 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.530 13.128 0.056 1.00 0.00 H new ATOM 809 N THR C 53 90.701 13.577 -5.223 1.00 0.00 N ATOM 810 CA THR C 53 90.269 14.165 -6.487 1.00 0.00 C ATOM 811 C THR C 53 89.621 13.102 -7.368 1.00 0.00 C ATOM 812 O THR C 53 89.644 11.914 -7.046 1.00 0.00 O ATOM 813 CB THR C 53 91.466 14.770 -7.225 1.00 0.00 C ATOM 814 OG1 THR C 53 92.669 14.300 -6.633 1.00 0.00 O ATOM 815 CG2 THR C 53 91.410 16.295 -7.126 1.00 0.00 C ATOM 0 H THR C 53 91.139 12.660 -5.307 1.00 0.00 H new ATOM 0 HA THR C 53 89.543 14.949 -6.272 1.00 0.00 H new ATOM 0 HB THR C 53 91.435 14.475 -8.274 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.437 14.684 -7.104 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.262 16.725 -7.652 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.486 16.655 -7.578 1.00 0.00 H new ATOM 0 HG23 THR C 53 91.442 16.593 -6.078 1.00 0.00 H new ATOM 823 N PRO C 54 89.043 13.520 -8.491 1.00 0.00 N ATOM 824 CA PRO C 54 88.387 12.593 -9.430 1.00 0.00 C ATOM 825 C PRO C 54 89.396 11.830 -10.283 1.00 0.00 C ATOM 826 O PRO C 54 89.101 10.761 -10.817 1.00 0.00 O ATOM 827 CB PRO C 54 87.543 13.534 -10.281 1.00 0.00 C ATOM 828 CG PRO C 54 88.188 14.911 -10.188 1.00 0.00 C ATOM 829 CD PRO C 54 89.010 14.939 -8.895 1.00 0.00 C ATOM 0 HA PRO C 54 87.811 11.815 -8.929 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.508 13.193 -11.316 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.515 13.564 -9.920 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.825 15.097 -11.053 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.428 15.692 -10.178 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.012 15.334 -9.062 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.544 15.564 -8.134 1.00 0.00 H new ATOM 837 N GLU C 55 90.597 12.391 -10.393 1.00 0.00 N ATOM 838 CA GLU C 55 91.658 11.757 -11.168 1.00 0.00 C ATOM 839 C GLU C 55 92.418 10.766 -10.294 1.00 0.00 C ATOM 840 O GLU C 55 92.939 9.759 -10.773 1.00 0.00 O ATOM 841 CB GLU C 55 92.636 12.804 -11.702 1.00 0.00 C ATOM 842 CG GLU C 55 91.862 13.890 -12.452 1.00 0.00 C ATOM 843 CD GLU C 55 92.845 14.860 -13.098 1.00 0.00 C ATOM 844 OE1 GLU C 55 93.226 15.813 -12.439 1.00 0.00 O ATOM 845 OE2 GLU C 55 93.203 14.634 -14.242 1.00 0.00 O ATOM 0 H GLU C 55 90.858 13.276 -9.959 1.00 0.00 H new ATOM 0 HA GLU C 55 91.201 11.235 -12.008 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.198 13.246 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU C 55 93.361 12.334 -12.367 1.00 0.00 H new ATOM 0 HG2 GLU C 55 91.226 13.438 -13.214 1.00 0.00 H new ATOM 0 HG3 GLU C 55 91.206 14.424 -11.765 1.00 0.00 H new ATOM 852 N GLU C 56 92.472 11.069 -8.999 1.00 0.00 N ATOM 853 CA GLU C 56 93.166 10.206 -8.049 1.00 0.00 C ATOM 854 C GLU C 56 92.210 9.154 -7.497 1.00 0.00 C ATOM 855 O GLU C 56 92.627 8.082 -7.061 1.00 0.00 O ATOM 856 CB GLU C 56 93.727 11.028 -6.887 1.00 0.00 C ATOM 857 CG GLU C 56 95.090 11.603 -7.277 1.00 0.00 C ATOM 858 CD GLU C 56 95.916 11.850 -6.019 1.00 0.00 C ATOM 859 OE1 GLU C 56 96.163 10.896 -5.300 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.290 12.990 -5.794 1.00 0.00 O ATOM 0 H GLU C 56 92.047 11.899 -8.587 1.00 0.00 H new ATOM 0 HA GLU C 56 93.987 9.717 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.039 11.835 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.825 10.403 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.613 10.912 -7.938 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.960 12.534 -7.828 1.00 0.00 H new ATOM 867 N LEU C 57 90.920 9.476 -7.524 1.00 0.00 N ATOM 868 CA LEU C 57 89.905 8.552 -7.026 1.00 0.00 C ATOM 869 C LEU C 57 89.622 7.471 -8.064 1.00 0.00 C ATOM 870 O LEU C 57 89.516 6.289 -7.737 1.00 0.00 O ATOM 871 CB LEU C 57 88.607 9.299 -6.710 1.00 0.00 C ATOM 872 CG LEU C 57 88.622 9.747 -5.248 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.654 10.917 -5.059 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.193 8.582 -4.353 1.00 0.00 C ATOM 0 H LEU C 57 90.555 10.359 -7.881 1.00 0.00 H new ATOM 0 HA LEU C 57 90.284 8.091 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.503 10.163 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.749 8.653 -6.895 1.00 0.00 H new ATOM 0 HG LEU C 57 89.629 10.063 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.666 11.235 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.959 11.748 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.646 10.603 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.204 8.901 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.186 8.265 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU C 57 88.883 7.749 -4.485 1.00 0.00 H new ATOM 886 N GLN C 58 89.505 7.891 -9.321 1.00 0.00 N ATOM 887 CA GLN C 58 89.238 6.951 -10.406 1.00 0.00 C ATOM 888 C GLN C 58 90.197 5.770 -10.331 1.00 0.00 C ATOM 889 O GLN C 58 89.784 4.612 -10.388 1.00 0.00 O ATOM 890 CB GLN C 58 89.398 7.640 -11.764 1.00 0.00 C ATOM 891 CG GLN C 58 88.681 6.824 -12.842 1.00 0.00 C ATOM 892 CD GLN C 58 89.663 5.845 -13.476 1.00 0.00 C ATOM 893 OE1 GLN C 58 90.814 6.193 -13.740 1.00 0.00 O ATOM 894 NE2 GLN C 58 89.272 4.628 -13.739 1.00 0.00 N ATOM 0 H GLN C 58 89.590 8.865 -9.612 1.00 0.00 H new ATOM 0 HA GLN C 58 88.213 6.595 -10.300 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.986 8.648 -11.722 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.455 7.738 -12.011 1.00 0.00 H new ATOM 0 HG2 GLN C 58 87.842 6.282 -12.405 1.00 0.00 H new ATOM 0 HG3 GLN C 58 88.271 7.488 -13.603 1.00 0.00 H new ATOM 0 HE21 GLN C 58 88.318 4.340 -13.520 1.00 0.00 H new ATOM 0 HE22 GLN C 58 89.920 3.965 -14.163 1.00 0.00 H new ATOM 903 N GLU C 59 91.483 6.076 -10.196 1.00 0.00 N ATOM 904 CA GLU C 59 92.496 5.031 -10.108 1.00 0.00 C ATOM 905 C GLU C 59 92.104 4.008 -9.049 1.00 0.00 C ATOM 906 O GLU C 59 92.415 2.822 -9.163 1.00 0.00 O ATOM 907 CB GLU C 59 93.854 5.629 -9.742 1.00 0.00 C ATOM 908 CG GLU C 59 94.391 6.435 -10.924 1.00 0.00 C ATOM 909 CD GLU C 59 95.892 6.202 -11.055 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.283 5.057 -11.206 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.629 7.173 -11.001 1.00 0.00 O ATOM 0 H GLU C 59 91.846 7.028 -10.146 1.00 0.00 H new ATOM 0 HA GLU C 59 92.567 4.545 -11.081 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.757 6.270 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.554 4.836 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU C 59 93.884 6.137 -11.842 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.188 7.496 -10.777 1.00 0.00 H new ATOM 918 N MET C 60 91.417 4.485 -8.016 1.00 0.00 N ATOM 919 CA MET C 60 90.981 3.611 -6.932 1.00 0.00 C ATOM 920 C MET C 60 89.985 2.578 -7.450 1.00 0.00 C ATOM 921 O MET C 60 89.918 1.455 -6.950 1.00 0.00 O ATOM 922 CB MET C 60 90.330 4.429 -5.816 1.00 0.00 C ATOM 923 CG MET C 60 91.281 5.545 -5.383 1.00 0.00 C ATOM 924 SD MET C 60 92.007 5.132 -3.778 1.00 0.00 S ATOM 925 CE MET C 60 90.653 5.752 -2.750 1.00 0.00 C ATOM 0 H MET C 60 91.152 5.464 -7.906 1.00 0.00 H new ATOM 0 HA MET C 60 91.857 3.098 -6.536 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.388 4.853 -6.163 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.096 3.786 -4.968 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.067 5.676 -6.127 1.00 0.00 H new ATOM 0 HG3 MET C 60 90.743 6.491 -5.318 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.520 5.097 -1.889 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.889 6.759 -2.406 1.00 0.00 H new ATOM 0 HE3 MET C 60 89.733 5.774 -3.334 1.00 0.00 H new ATOM 935 N ILE C 61 89.218 2.966 -8.466 1.00 0.00 N ATOM 936 CA ILE C 61 88.235 2.060 -9.054 1.00 0.00 C ATOM 937 C ILE C 61 88.945 1.051 -9.954 1.00 0.00 C ATOM 938 O ILE C 61 88.566 -0.118 -10.025 1.00 0.00 O ATOM 939 CB ILE C 61 87.200 2.846 -9.884 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.177 3.564 -8.977 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.441 1.880 -10.799 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.708 3.719 -7.548 1.00 0.00 C ATOM 0 H ILE C 61 89.257 3.891 -8.895 1.00 0.00 H new ATOM 0 HA ILE C 61 87.717 1.539 -8.249 1.00 0.00 H new ATOM 0 HB ILE C 61 87.738 3.593 -10.468 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.949 4.546 -9.390 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.244 3.000 -8.961 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.709 2.434 -11.386 1.00 0.00 H new ATOM 0 HG22 ILE C 61 87.144 1.385 -11.469 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.929 1.132 -10.194 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.963 4.228 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.912 2.735 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.627 4.305 -7.563 1.00 0.00 H new ATOM 954 N ASP C 62 89.982 1.524 -10.641 1.00 0.00 N ATOM 955 CA ASP C 62 90.750 0.665 -11.541 1.00 0.00 C ATOM 956 C ASP C 62 91.220 -0.590 -10.812 1.00 0.00 C ATOM 957 O ASP C 62 91.547 -1.601 -11.435 1.00 0.00 O ATOM 958 CB ASP C 62 91.969 1.415 -12.082 1.00 0.00 C ATOM 959 CG ASP C 62 92.520 0.682 -13.300 1.00 0.00 C ATOM 960 OD1 ASP C 62 92.038 0.942 -14.391 1.00 0.00 O ATOM 961 OD2 ASP C 62 93.416 -0.127 -13.126 1.00 0.00 O ATOM 0 H ASP C 62 90.309 2.489 -10.593 1.00 0.00 H new ATOM 0 HA ASP C 62 90.101 0.380 -12.369 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.691 2.434 -12.353 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.736 1.488 -11.311 1.00 0.00 H new ATOM 966 N GLU C 63 91.249 -0.517 -9.485 1.00 0.00 N ATOM 967 CA GLU C 63 91.679 -1.658 -8.681 1.00 0.00 C ATOM 968 C GLU C 63 90.571 -2.703 -8.616 1.00 0.00 C ATOM 969 O GLU C 63 90.833 -3.904 -8.554 1.00 0.00 O ATOM 970 CB GLU C 63 92.029 -1.220 -7.255 1.00 0.00 C ATOM 971 CG GLU C 63 92.701 0.154 -7.286 1.00 0.00 C ATOM 972 CD GLU C 63 93.869 0.129 -8.265 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.564 -0.873 -8.302 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.052 1.112 -8.963 1.00 0.00 O ATOM 0 H GLU C 63 90.984 0.309 -8.948 1.00 0.00 H new ATOM 0 HA GLU C 63 92.564 -2.084 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU C 63 91.127 -1.180 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.694 -1.950 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU C 63 91.980 0.916 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU C 63 93.054 0.420 -6.290 1.00 0.00 H new ATOM 981 N VAL C 64 89.328 -2.230 -8.629 1.00 0.00 N ATOM 982 CA VAL C 64 88.182 -3.133 -8.569 1.00 0.00 C ATOM 983 C VAL C 64 87.459 -3.183 -9.911 1.00 0.00 C ATOM 984 O VAL C 64 86.554 -3.993 -10.114 1.00 0.00 O ATOM 985 CB VAL C 64 87.199 -2.684 -7.486 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.966 -2.334 -6.211 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.418 -1.454 -7.960 1.00 0.00 C ATOM 0 H VAL C 64 89.090 -1.240 -8.680 1.00 0.00 H new ATOM 0 HA VAL C 64 88.557 -4.128 -8.328 1.00 0.00 H new ATOM 0 HB VAL C 64 86.501 -3.496 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL C 64 87.264 -2.014 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL C 64 88.513 -3.210 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.669 -1.527 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.721 -1.143 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.113 -0.641 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.864 -1.702 -8.865 1.00 0.00 H new ATOM 997 N ASP C 65 87.863 -2.305 -10.824 1.00 0.00 N ATOM 998 CA ASP C 65 87.242 -2.256 -12.144 1.00 0.00 C ATOM 999 C ASP C 65 87.778 -3.376 -13.028 1.00 0.00 C ATOM 1000 O ASP C 65 88.268 -3.134 -14.132 1.00 0.00 O ATOM 1001 CB ASP C 65 87.517 -0.913 -12.819 1.00 0.00 C ATOM 1002 CG ASP C 65 86.231 -0.096 -12.870 1.00 0.00 C ATOM 1003 OD1 ASP C 65 85.394 -0.292 -12.005 1.00 0.00 O ATOM 1004 OD2 ASP C 65 86.101 0.713 -13.774 1.00 0.00 O ATOM 0 H ASP C 65 88.609 -1.625 -10.677 1.00 0.00 H new ATOM 0 HA ASP C 65 86.167 -2.380 -12.012 1.00 0.00 H new ATOM 0 HB2 ASP C 65 88.285 -0.368 -12.269 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.899 -1.072 -13.827 1.00 0.00 H new ATOM 1009 N GLU C 66 87.676 -4.606 -12.534 1.00 0.00 N ATOM 1010 CA GLU C 66 88.150 -5.758 -13.293 1.00 0.00 C ATOM 1011 C GLU C 66 87.448 -5.811 -14.644 1.00 0.00 C ATOM 1012 O GLU C 66 88.017 -6.254 -15.642 1.00 0.00 O ATOM 1013 CB GLU C 66 87.871 -7.055 -12.531 1.00 0.00 C ATOM 1014 CG GLU C 66 88.949 -7.262 -11.466 1.00 0.00 C ATOM 1015 CD GLU C 66 88.892 -8.697 -10.954 1.00 0.00 C ATOM 1016 OE1 GLU C 66 87.932 -9.381 -11.271 1.00 0.00 O ATOM 1017 OE2 GLU C 66 89.809 -9.092 -10.253 1.00 0.00 O ATOM 0 H GLU C 66 87.275 -4.829 -11.623 1.00 0.00 H new ATOM 0 HA GLU C 66 89.225 -5.655 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.887 -7.011 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.859 -7.899 -13.220 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.933 -7.053 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU C 66 88.799 -6.565 -10.642 1.00 0.00 H new ATOM 1024 N ASP C 67 86.204 -5.345 -14.661 1.00 0.00 N ATOM 1025 CA ASP C 67 85.419 -5.330 -15.891 1.00 0.00 C ATOM 1026 C ASP C 67 85.501 -3.958 -16.553 1.00 0.00 C ATOM 1027 O ASP C 67 85.155 -3.795 -17.723 1.00 0.00 O ATOM 1028 CB ASP C 67 83.955 -5.654 -15.592 1.00 0.00 C ATOM 1029 CG ASP C 67 83.479 -4.818 -14.409 1.00 0.00 C ATOM 1030 OD1 ASP C 67 84.287 -4.080 -13.867 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.315 -4.926 -14.062 1.00 0.00 O ATOM 0 H ASP C 67 85.720 -4.975 -13.843 1.00 0.00 H new ATOM 0 HA ASP C 67 85.826 -6.084 -16.564 1.00 0.00 H new ATOM 0 HB2 ASP C 67 83.340 -5.447 -16.468 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.845 -6.715 -15.368 1.00 0.00 H new ATOM 1036 N GLY C 68 85.964 -2.972 -15.787 1.00 0.00 N ATOM 1037 CA GLY C 68 86.091 -1.611 -16.302 1.00 0.00 C ATOM 1038 C GLY C 68 84.753 -0.880 -16.248 1.00 0.00 C ATOM 1039 O GLY C 68 84.606 0.214 -16.792 1.00 0.00 O ATOM 0 H GLY C 68 86.255 -3.088 -14.816 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.832 -1.065 -15.718 1.00 0.00 H new ATOM 0 HA3 GLY C 68 86.453 -1.639 -17.330 1.00 0.00 H new ATOM 1043 N SER C 69 83.779 -1.497 -15.585 1.00 0.00 N ATOM 1044 CA SER C 69 82.453 -0.895 -15.467 1.00 0.00 C ATOM 1045 C SER C 69 82.569 0.583 -15.109 1.00 0.00 C ATOM 1046 O SER C 69 81.703 1.388 -15.451 1.00 0.00 O ATOM 1047 CB SER C 69 81.635 -1.609 -14.391 1.00 0.00 C ATOM 1048 OG SER C 69 82.518 -2.207 -13.451 1.00 0.00 O ATOM 0 H SER C 69 83.879 -2.402 -15.126 1.00 0.00 H new ATOM 0 HA SER C 69 81.950 -0.996 -16.429 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.976 -0.901 -13.889 1.00 0.00 H new ATOM 0 HB3 SER C 69 80.999 -2.369 -14.845 1.00 0.00 H new ATOM 0 HG SER C 69 81.997 -2.665 -12.759 1.00 0.00 H new ATOM 1054 N GLY C 70 83.651 0.932 -14.419 1.00 0.00 N ATOM 1055 CA GLY C 70 83.876 2.320 -14.022 1.00 0.00 C ATOM 1056 C GLY C 70 83.308 2.595 -12.632 1.00 0.00 C ATOM 1057 O GLY C 70 83.486 3.680 -12.079 1.00 0.00 O ATOM 0 H GLY C 70 84.379 0.281 -14.125 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.945 2.535 -14.030 1.00 0.00 H new ATOM 0 HA3 GLY C 70 83.411 2.988 -14.747 1.00 0.00 H new ATOM 1061 N THR C 71 82.621 1.602 -12.074 1.00 0.00 N ATOM 1062 CA THR C 71 82.031 1.755 -10.746 1.00 0.00 C ATOM 1063 C THR C 71 82.364 0.553 -9.869 1.00 0.00 C ATOM 1064 O THR C 71 83.050 -0.376 -10.295 1.00 0.00 O ATOM 1065 CB THR C 71 80.510 1.886 -10.845 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.997 0.826 -11.641 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.148 3.229 -11.483 1.00 0.00 C ATOM 0 H THR C 71 82.460 0.695 -12.512 1.00 0.00 H new ATOM 0 HA THR C 71 82.447 2.658 -10.300 1.00 0.00 H new ATOM 0 HB THR C 71 80.076 1.835 -9.847 1.00 0.00 H new ATOM 0 HG1 THR C 71 79.022 0.907 -11.705 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.064 3.319 -11.552 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.541 4.040 -10.871 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.581 3.286 -12.482 1.00 0.00 H new ATOM 1075 N VAL C 72 81.864 0.582 -8.637 1.00 0.00 N ATOM 1076 CA VAL C 72 82.106 -0.512 -7.702 1.00 0.00 C ATOM 1077 C VAL C 72 80.794 -0.981 -7.081 1.00 0.00 C ATOM 1078 O VAL C 72 80.284 -0.374 -6.140 1.00 0.00 O ATOM 1079 CB VAL C 72 83.057 -0.072 -6.588 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.577 -1.306 -5.847 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.237 0.688 -7.196 1.00 0.00 C ATOM 0 H VAL C 72 81.295 1.343 -8.266 1.00 0.00 H new ATOM 0 HA VAL C 72 82.560 -1.332 -8.258 1.00 0.00 H new ATOM 0 HB VAL C 72 82.526 0.576 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.255 -0.994 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.738 -1.851 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.109 -1.952 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.915 1.002 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.768 0.039 -7.892 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.869 1.566 -7.728 1.00 0.00 H new ATOM 1091 N ASP C 73 80.254 -2.069 -7.623 1.00 0.00 N ATOM 1092 CA ASP C 73 78.998 -2.619 -7.121 1.00 0.00 C ATOM 1093 C ASP C 73 79.133 -3.010 -5.651 1.00 0.00 C ATOM 1094 O ASP C 73 80.116 -2.674 -4.991 1.00 0.00 O ATOM 1095 CB ASP C 73 78.594 -3.854 -7.931 1.00 0.00 C ATOM 1096 CG ASP C 73 79.683 -4.915 -7.816 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.517 -4.786 -6.935 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.667 -5.841 -8.610 1.00 0.00 O ATOM 0 H ASP C 73 80.662 -2.584 -8.403 1.00 0.00 H new ATOM 0 HA ASP C 73 78.231 -1.851 -7.222 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.646 -4.249 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.444 -3.584 -8.976 1.00 0.00 H new ATOM 1103 N PHE C 74 78.128 -3.723 -5.150 1.00 0.00 N ATOM 1104 CA PHE C 74 78.132 -4.160 -3.755 1.00 0.00 C ATOM 1105 C PHE C 74 79.024 -5.388 -3.576 1.00 0.00 C ATOM 1106 O PHE C 74 79.109 -5.956 -2.488 1.00 0.00 O ATOM 1107 CB PHE C 74 76.710 -4.509 -3.307 1.00 0.00 C ATOM 1108 CG PHE C 74 76.695 -4.781 -1.821 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.553 -3.721 -0.917 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.818 -6.093 -1.347 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.535 -3.973 0.460 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.801 -6.344 0.030 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.659 -5.284 0.934 1.00 0.00 C ATOM 0 H PHE C 74 77.307 -4.009 -5.683 1.00 0.00 H new ATOM 0 HA PHE C 74 78.520 -3.343 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.033 -3.688 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.352 -5.384 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.457 -2.709 -1.282 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.926 -6.911 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.425 -3.155 1.157 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.897 -7.356 0.395 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.645 -5.478 1.996 1.00 0.00 H new ATOM 1123 N ASP C 75 79.687 -5.796 -4.657 1.00 0.00 N ATOM 1124 CA ASP C 75 80.563 -6.965 -4.601 1.00 0.00 C ATOM 1125 C ASP C 75 82.029 -6.547 -4.539 1.00 0.00 C ATOM 1126 O ASP C 75 82.671 -6.638 -3.493 1.00 0.00 O ATOM 1127 CB ASP C 75 80.352 -7.852 -5.830 1.00 0.00 C ATOM 1128 CG ASP C 75 79.631 -9.130 -5.417 1.00 0.00 C ATOM 1129 OD1 ASP C 75 79.151 -9.180 -4.297 1.00 0.00 O ATOM 1130 OD2 ASP C 75 79.571 -10.041 -6.226 1.00 0.00 O ATOM 0 H ASP C 75 79.636 -5.342 -5.569 1.00 0.00 H new ATOM 0 HA ASP C 75 80.311 -7.522 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.768 -7.319 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP C 75 81.312 -8.094 -6.286 1.00 0.00 H new ATOM 1135 N GLU C 76 82.556 -6.102 -5.676 1.00 0.00 N ATOM 1136 CA GLU C 76 83.960 -5.690 -5.738 1.00 0.00 C ATOM 1137 C GLU C 76 84.339 -4.881 -4.501 1.00 0.00 C ATOM 1138 O GLU C 76 85.501 -4.854 -4.096 1.00 0.00 O ATOM 1139 CB GLU C 76 84.263 -4.843 -6.986 1.00 0.00 C ATOM 1140 CG GLU C 76 82.976 -4.316 -7.625 1.00 0.00 C ATOM 1141 CD GLU C 76 83.330 -3.447 -8.826 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.510 -3.240 -9.055 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.416 -3.003 -9.501 1.00 0.00 O ATOM 0 H GLU C 76 82.045 -6.017 -6.555 1.00 0.00 H new ATOM 0 HA GLU C 76 84.548 -6.606 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.905 -4.006 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.812 -5.443 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.344 -5.148 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.406 -3.737 -6.898 1.00 0.00 H new ATOM 1150 N PHE C 77 83.351 -4.218 -3.906 1.00 0.00 N ATOM 1151 CA PHE C 77 83.606 -3.410 -2.716 1.00 0.00 C ATOM 1152 C PHE C 77 84.255 -4.255 -1.621 1.00 0.00 C ATOM 1153 O PHE C 77 85.479 -4.338 -1.529 1.00 0.00 O ATOM 1154 CB PHE C 77 82.305 -2.806 -2.182 1.00 0.00 C ATOM 1155 CG PHE C 77 82.580 -2.112 -0.869 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.327 -0.928 -0.846 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.089 -2.653 0.326 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.584 -0.285 0.371 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.346 -2.010 1.543 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.093 -0.826 1.565 1.00 0.00 C ATOM 0 H PHE C 77 82.381 -4.223 -4.222 1.00 0.00 H new ATOM 0 HA PHE C 77 84.284 -2.605 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.897 -2.097 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.557 -3.587 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.705 -0.510 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.512 -3.566 0.309 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.161 0.628 0.388 1.00 0.00 H new ATOM 0 HE2 PHE C 77 81.968 -2.427 2.465 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.290 -0.330 2.504 1.00 0.00 H new ATOM 1170 N LEU C 78 83.423 -4.877 -0.788 1.00 0.00 N ATOM 1171 CA LEU C 78 83.929 -5.709 0.303 1.00 0.00 C ATOM 1172 C LEU C 78 85.182 -6.466 -0.126 1.00 0.00 C ATOM 1173 O LEU C 78 86.137 -6.596 0.638 1.00 0.00 O ATOM 1174 CB LEU C 78 82.868 -6.719 0.744 1.00 0.00 C ATOM 1175 CG LEU C 78 81.830 -6.018 1.620 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.436 -6.228 1.028 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.876 -6.604 3.033 1.00 0.00 C ATOM 0 H LEU C 78 82.406 -4.822 -0.846 1.00 0.00 H new ATOM 0 HA LEU C 78 84.174 -5.048 1.134 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.385 -7.160 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.334 -7.535 1.296 1.00 0.00 H new ATOM 0 HG LEU C 78 82.051 -4.951 1.660 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.696 -5.728 1.653 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.402 -5.811 0.021 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.215 -7.295 0.987 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.136 -6.105 3.658 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.656 -7.671 2.992 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.869 -6.455 3.457 1.00 0.00 H new ATOM 1189 N VAL C 79 85.164 -6.968 -1.357 1.00 0.00 N ATOM 1190 CA VAL C 79 86.304 -7.718 -1.879 1.00 0.00 C ATOM 1191 C VAL C 79 87.551 -6.840 -1.928 1.00 0.00 C ATOM 1192 O VAL C 79 88.629 -7.245 -1.492 1.00 0.00 O ATOM 1193 CB VAL C 79 86.002 -8.238 -3.285 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.219 -8.993 -3.826 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.801 -9.185 -3.228 1.00 0.00 C ATOM 0 H VAL C 79 84.383 -6.872 -2.006 1.00 0.00 H new ATOM 0 HA VAL C 79 86.485 -8.560 -1.211 1.00 0.00 H new ATOM 0 HB VAL C 79 85.776 -7.398 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.002 -9.363 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.076 -8.321 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.447 -9.834 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.583 -9.557 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.030 -10.024 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.933 -8.649 -2.844 1.00 0.00 H new ATOM 1205 N MET C 80 87.395 -5.633 -2.467 1.00 0.00 N ATOM 1206 CA MET C 80 88.521 -4.708 -2.571 1.00 0.00 C ATOM 1207 C MET C 80 89.130 -4.449 -1.194 1.00 0.00 C ATOM 1208 O MET C 80 90.269 -3.997 -1.077 1.00 0.00 O ATOM 1209 CB MET C 80 88.073 -3.378 -3.196 1.00 0.00 C ATOM 1210 CG MET C 80 87.438 -2.477 -2.131 1.00 0.00 C ATOM 1211 SD MET C 80 88.653 -1.256 -1.573 1.00 0.00 S ATOM 1212 CE MET C 80 88.927 -0.459 -3.174 1.00 0.00 C ATOM 0 H MET C 80 86.513 -5.276 -2.834 1.00 0.00 H new ATOM 0 HA MET C 80 89.274 -5.164 -3.213 1.00 0.00 H new ATOM 0 HB2 MET C 80 88.928 -2.874 -3.646 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.357 -3.567 -3.996 1.00 0.00 H new ATOM 0 HG2 MET C 80 86.562 -1.974 -2.540 1.00 0.00 H new ATOM 0 HG3 MET C 80 87.096 -3.077 -1.288 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.100 0.607 -3.025 1.00 0.00 H new ATOM 0 HE2 MET C 80 89.797 -0.904 -3.658 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.049 -0.599 -3.805 1.00 0.00 H new ATOM 1222 N MET C 81 88.354 -4.740 -0.154 1.00 0.00 N ATOM 1223 CA MET C 81 88.822 -4.533 1.214 1.00 0.00 C ATOM 1224 C MET C 81 89.700 -5.698 1.660 1.00 0.00 C ATOM 1225 O MET C 81 90.730 -5.507 2.307 1.00 0.00 O ATOM 1226 CB MET C 81 87.636 -4.411 2.174 1.00 0.00 C ATOM 1227 CG MET C 81 87.557 -2.980 2.713 1.00 0.00 C ATOM 1228 SD MET C 81 85.984 -2.234 2.217 1.00 0.00 S ATOM 1229 CE MET C 81 86.632 -1.205 0.877 1.00 0.00 C ATOM 0 H MET C 81 87.409 -5.116 -0.229 1.00 0.00 H new ATOM 0 HA MET C 81 89.402 -3.611 1.233 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.710 -4.668 1.659 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.748 -5.115 2.998 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.643 -2.984 3.800 1.00 0.00 H new ATOM 0 HG3 MET C 81 88.389 -2.389 2.330 1.00 0.00 H new ATOM 0 HE1 MET C 81 86.486 -0.153 1.123 1.00 0.00 H new ATOM 0 HE2 MET C 81 87.696 -1.404 0.748 1.00 0.00 H new ATOM 0 HE3 MET C 81 86.105 -1.438 -0.048 1.00 0.00 H new ATOM 1239 N VAL C 82 89.276 -6.908 1.310 1.00 0.00 N ATOM 1240 CA VAL C 82 90.026 -8.105 1.681 1.00 0.00 C ATOM 1241 C VAL C 82 91.260 -8.257 0.798 1.00 0.00 C ATOM 1242 O VAL C 82 92.358 -8.528 1.284 1.00 0.00 O ATOM 1243 CB VAL C 82 89.152 -9.353 1.539 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.585 -10.397 2.568 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.686 -8.983 1.780 1.00 0.00 C ATOM 0 H VAL C 82 88.426 -7.086 0.775 1.00 0.00 H new ATOM 0 HA VAL C 82 90.335 -7.998 2.721 1.00 0.00 H new ATOM 0 HB VAL C 82 89.264 -9.760 0.534 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.963 -11.286 2.468 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.629 -10.663 2.399 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.473 -9.987 3.572 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.065 -9.873 1.679 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.574 -8.575 2.785 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.374 -8.237 1.049 1.00 0.00 H new ATOM 1255 N ARG C 83 91.068 -8.077 -0.505 1.00 0.00 N ATOM 1256 CA ARG C 83 92.174 -8.196 -1.451 1.00 0.00 C ATOM 1257 C ARG C 83 93.355 -7.343 -0.998 1.00 0.00 C ATOM 1258 O ARG C 83 94.512 -7.748 -1.113 1.00 0.00 O ATOM 1259 CB ARG C 83 91.736 -7.743 -2.845 1.00 0.00 C ATOM 1260 CG ARG C 83 91.363 -8.965 -3.687 1.00 0.00 C ATOM 1261 CD ARG C 83 91.364 -8.583 -5.169 1.00 0.00 C ATOM 1262 NE ARG C 83 91.626 -9.752 -6.003 1.00 0.00 N ATOM 1263 CZ ARG C 83 92.854 -10.247 -6.124 1.00 0.00 C ATOM 1264 NH1 ARG C 83 93.846 -9.696 -5.478 1.00 0.00 N ATOM 1265 NH2 ARG C 83 93.069 -11.283 -6.887 1.00 0.00 N ATOM 0 H ARG C 83 90.168 -7.851 -0.927 1.00 0.00 H new ATOM 0 HA ARG C 83 92.475 -9.243 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.884 -7.068 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.540 -7.188 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.072 -9.773 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG C 83 90.379 -9.334 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.402 -8.147 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG C 83 92.122 -7.822 -5.353 1.00 0.00 H new ATOM 0 HE ARG C 83 90.855 -10.196 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG C 83 93.679 -8.886 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG C 83 94.788 -10.075 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG C 83 92.295 -11.714 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG C 83 94.012 -11.662 -6.979 1.00 0.00 H new ATOM 1279 N CYS C 84 93.050 -6.154 -0.484 1.00 0.00 N ATOM 1280 CA CYS C 84 94.094 -5.246 -0.017 1.00 0.00 C ATOM 1281 C CYS C 84 94.444 -5.534 1.440 1.00 0.00 C ATOM 1282 O CYS C 84 95.552 -5.248 1.895 1.00 0.00 O ATOM 1283 CB CYS C 84 93.635 -3.793 -0.143 1.00 0.00 C ATOM 1284 SG CYS C 84 93.171 -3.456 -1.860 1.00 0.00 S ATOM 0 H CYS C 84 92.099 -5.800 -0.381 1.00 0.00 H new ATOM 0 HA CYS C 84 94.976 -5.403 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS C 84 92.787 -3.609 0.517 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.433 -3.119 0.168 1.00 0.00 H new ATOM 0 HG CYS C 84 91.888 -3.608 -2.000 1.00 0.00 H new ATOM 1290 N MET C 85 93.485 -6.101 2.166 1.00 0.00 N ATOM 1291 CA MET C 85 93.699 -6.423 3.575 1.00 0.00 C ATOM 1292 C MET C 85 94.453 -7.742 3.716 1.00 0.00 C ATOM 1293 O MET C 85 94.903 -8.102 4.804 1.00 0.00 O ATOM 1294 CB MET C 85 92.361 -6.536 4.309 1.00 0.00 C ATOM 1295 CG MET C 85 91.921 -5.153 4.792 1.00 0.00 C ATOM 1296 SD MET C 85 90.475 -5.322 5.867 1.00 0.00 S ATOM 1297 CE MET C 85 89.438 -4.085 5.050 1.00 0.00 C ATOM 0 H MET C 85 92.562 -6.345 1.808 1.00 0.00 H new ATOM 0 HA MET C 85 94.289 -5.619 4.014 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.606 -6.958 3.646 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.456 -7.215 5.156 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.735 -4.669 5.332 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.682 -4.517 3.940 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.401 -4.422 5.050 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.512 -3.138 5.584 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.775 -3.949 4.022 1.00 0.00 H new ATOM 1307 N LYS C 86 94.582 -8.461 2.604 1.00 0.00 N ATOM 1308 CA LYS C 86 95.280 -9.742 2.618 1.00 0.00 C ATOM 1309 C LYS C 86 96.526 -9.687 1.739 1.00 0.00 C ATOM 1310 O LYS C 86 97.509 -10.385 1.988 1.00 0.00 O ATOM 1311 CB LYS C 86 94.362 -10.855 2.112 1.00 0.00 C ATOM 1312 CG LYS C 86 93.753 -11.593 3.305 1.00 0.00 C ATOM 1313 CD LYS C 86 93.021 -12.843 2.814 1.00 0.00 C ATOM 1314 CE LYS C 86 92.979 -13.880 3.937 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.337 -14.020 4.534 1.00 0.00 N ATOM 0 H LYS C 86 94.217 -8.183 1.693 1.00 0.00 H new ATOM 0 HA LYS C 86 95.574 -9.951 3.647 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.573 -10.435 1.489 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.924 -11.550 1.489 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.535 -11.871 4.012 1.00 0.00 H new ATOM 0 HG3 LYS C 86 93.061 -10.939 3.836 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.008 -12.586 2.503 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.528 -13.256 1.942 1.00 0.00 H new ATOM 0 HE2 LYS C 86 92.264 -13.576 4.701 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.640 -14.840 3.548 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 94.437 -14.967 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 95.056 -13.890 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.467 -13.300 5.273 1.00 0.00 H new ATOM 1392 N ILE I 148 92.977 -0.297 5.037 1.00 0.00 N ATOM 1393 CA ILE I 148 92.001 0.499 5.778 1.00 0.00 C ATOM 1394 C ILE I 148 91.410 -0.316 6.924 1.00 0.00 C ATOM 1395 O ILE I 148 91.081 -1.492 6.766 1.00 0.00 O ATOM 1396 CB ILE I 148 90.867 0.958 4.858 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.443 1.361 3.499 1.00 0.00 C ATOM 1398 CG2 ILE I 148 90.155 2.160 5.483 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.299 1.694 2.540 1.00 0.00 C ATOM 0 HA ILE I 148 92.517 1.372 6.178 1.00 0.00 H new ATOM 0 HB ILE I 148 90.156 0.142 4.726 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.100 2.223 3.612 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.048 0.550 3.093 1.00 0.00 H new ATOM 0 HG21 ILE I 148 89.348 2.486 4.827 1.00 0.00 H new ATOM 0 HG22 ILE I 148 89.743 1.876 6.451 1.00 0.00 H new ATOM 0 HG23 ILE I 148 90.866 2.975 5.616 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.708 1.981 1.571 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.660 0.820 2.419 1.00 0.00 H new ATOM 0 HD13 ILE I 148 89.713 2.519 2.945 1.00 0.00 H new ATOM 1411 N SER I 149 91.278 0.326 8.082 1.00 0.00 N ATOM 1412 CA SER I 149 90.723 -0.344 9.255 1.00 0.00 C ATOM 1413 C SER I 149 89.253 0.029 9.443 1.00 0.00 C ATOM 1414 O SER I 149 88.578 -0.501 10.326 1.00 0.00 O ATOM 1415 CB SER I 149 91.499 0.045 10.514 1.00 0.00 C ATOM 1416 OG SER I 149 90.624 0.011 11.634 1.00 0.00 O ATOM 0 H SER I 149 91.545 1.299 8.233 1.00 0.00 H new ATOM 0 HA SER I 149 90.807 -1.419 9.094 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.332 -0.641 10.668 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.924 1.042 10.400 1.00 0.00 H new ATOM 0 HG SER I 149 89.934 -0.670 11.490 1.00 0.00 H new ATOM 1422 N ALA I 150 88.769 0.946 8.602 1.00 0.00 N ATOM 1423 CA ALA I 150 87.376 1.388 8.676 1.00 0.00 C ATOM 1424 C ALA I 150 87.227 2.547 9.658 1.00 0.00 C ATOM 1425 O ALA I 150 86.534 3.526 9.384 1.00 0.00 O ATOM 1426 CB ALA I 150 86.465 0.240 9.117 1.00 0.00 C ATOM 0 H ALA I 150 89.317 1.394 7.867 1.00 0.00 H new ATOM 0 HA ALA I 150 87.083 1.719 7.680 1.00 0.00 H new ATOM 0 HB1 ALA I 150 85.434 0.591 9.165 1.00 0.00 H new ATOM 0 HB2 ALA I 150 86.537 -0.577 8.400 1.00 0.00 H new ATOM 0 HB3 ALA I 150 86.774 -0.113 10.101 1.00 0.00 H new ATOM 1432 N ASP I 151 87.883 2.425 10.808 1.00 0.00 N ATOM 1433 CA ASP I 151 87.814 3.468 11.829 1.00 0.00 C ATOM 1434 C ASP I 151 87.891 4.852 11.189 1.00 0.00 C ATOM 1435 O ASP I 151 87.147 5.763 11.553 1.00 0.00 O ATOM 1436 CB ASP I 151 88.965 3.317 12.826 1.00 0.00 C ATOM 1437 CG ASP I 151 88.877 1.955 13.504 1.00 0.00 C ATOM 1438 OD1 ASP I 151 87.983 1.200 13.159 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.704 1.686 14.360 1.00 0.00 O ATOM 0 H ASP I 151 88.463 1.623 11.056 1.00 0.00 H new ATOM 0 HA ASP I 151 86.863 3.363 12.351 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.921 3.418 12.312 1.00 0.00 H new ATOM 0 HB3 ASP I 151 88.920 4.110 13.572 1.00 0.00 H new ATOM 1444 N ALA I 152 88.804 4.999 10.235 1.00 0.00 N ATOM 1445 CA ALA I 152 88.980 6.277 9.550 1.00 0.00 C ATOM 1446 C ALA I 152 87.695 6.692 8.839 1.00 0.00 C ATOM 1447 O ALA I 152 87.390 7.879 8.722 1.00 0.00 O ATOM 1448 CB ALA I 152 90.107 6.181 8.521 1.00 0.00 C ATOM 0 H ALA I 152 89.429 4.257 9.920 1.00 0.00 H new ATOM 0 HA ALA I 152 89.233 7.024 10.302 1.00 0.00 H new ATOM 0 HB1 ALA I 152 90.225 7.142 8.020 1.00 0.00 H new ATOM 0 HB2 ALA I 152 91.037 5.918 9.024 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.863 5.415 7.785 1.00 0.00 H new ATOM 1454 N MET I 153 86.949 5.701 8.359 1.00 0.00 N ATOM 1455 CA MET I 153 85.701 5.974 7.651 1.00 0.00 C ATOM 1456 C MET I 153 84.551 6.168 8.635 1.00 0.00 C ATOM 1457 O MET I 153 83.588 6.880 8.353 1.00 0.00 O ATOM 1458 CB MET I 153 85.356 4.817 6.712 1.00 0.00 C ATOM 1459 CG MET I 153 84.962 5.370 5.342 1.00 0.00 C ATOM 1460 SD MET I 153 83.342 6.170 5.457 1.00 0.00 S ATOM 1461 CE MET I 153 82.448 5.030 4.372 1.00 0.00 C ATOM 0 H MET I 153 87.183 4.712 8.445 1.00 0.00 H new ATOM 0 HA MET I 153 85.841 6.888 7.074 1.00 0.00 H new ATOM 0 HB2 MET I 153 86.211 4.148 6.613 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.537 4.229 7.128 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.709 6.085 4.998 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.930 4.565 4.608 1.00 0.00 H new ATOM 0 HE1 MET I 153 81.418 4.933 4.715 1.00 0.00 H new ATOM 0 HE2 MET I 153 82.456 5.416 3.353 1.00 0.00 H new ATOM 0 HE3 MET I 153 82.931 4.053 4.393 1.00 0.00 H new ATOM 1471 N MET I 154 84.658 5.518 9.790 1.00 0.00 N ATOM 1472 CA MET I 154 83.616 5.618 10.808 1.00 0.00 C ATOM 1473 C MET I 154 83.176 7.068 10.996 1.00 0.00 C ATOM 1474 O MET I 154 81.986 7.357 11.122 1.00 0.00 O ATOM 1475 CB MET I 154 84.117 5.068 12.145 1.00 0.00 C ATOM 1476 CG MET I 154 82.989 4.293 12.830 1.00 0.00 C ATOM 1477 SD MET I 154 83.685 2.893 13.743 1.00 0.00 S ATOM 1478 CE MET I 154 82.144 1.967 13.948 1.00 0.00 C ATOM 0 H MET I 154 85.446 4.922 10.043 1.00 0.00 H new ATOM 0 HA MET I 154 82.765 5.028 10.469 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.976 4.416 11.984 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.452 5.885 12.784 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.443 4.948 13.509 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.275 3.937 12.087 1.00 0.00 H new ATOM 0 HE1 MET I 154 82.343 1.046 14.497 1.00 0.00 H new ATOM 0 HE2 MET I 154 81.427 2.572 14.502 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.733 1.724 12.968 1.00 0.00 H new ATOM 1488 N GLN I 155 84.147 7.977 11.014 1.00 0.00 N ATOM 1489 CA GLN I 155 83.842 9.395 11.189 1.00 0.00 C ATOM 1490 C GLN I 155 82.600 9.772 10.387 1.00 0.00 C ATOM 1491 O GLN I 155 81.744 10.524 10.854 1.00 0.00 O ATOM 1492 CB GLN I 155 85.016 10.261 10.726 1.00 0.00 C ATOM 1493 CG GLN I 155 85.342 11.296 11.805 1.00 0.00 C ATOM 1494 CD GLN I 155 86.674 10.945 12.458 1.00 0.00 C ATOM 1495 OE1 GLN I 155 87.694 11.575 12.180 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.726 9.966 13.320 1.00 0.00 N ATOM 0 H GLN I 155 85.139 7.762 10.911 1.00 0.00 H new ATOM 0 HA GLN I 155 83.661 9.571 12.249 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.888 9.637 10.531 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.766 10.761 9.790 1.00 0.00 H new ATOM 0 HG2 GLN I 155 85.391 12.292 11.366 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.551 11.317 12.555 1.00 0.00 H new ATOM 0 HE21 GLN I 155 85.881 9.444 13.550 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.612 9.723 13.763 1.00 0.00 H new ATOM 1505 N ALA I 156 82.512 9.236 9.173 1.00 0.00 N ATOM 1506 CA ALA I 156 81.370 9.513 8.306 1.00 0.00 C ATOM 1507 C ALA I 156 80.160 8.703 8.755 1.00 0.00 C ATOM 1508 O ALA I 156 79.019 9.156 8.666 1.00 0.00 O ATOM 1509 CB ALA I 156 81.695 9.148 6.856 1.00 0.00 C ATOM 0 H ALA I 156 83.211 8.612 8.769 1.00 0.00 H new ATOM 0 HA ALA I 156 81.148 10.578 8.372 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.832 9.361 6.225 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.548 9.735 6.515 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.937 8.087 6.793 1.00 0.00 H new ATOM 1515 N LEU I 157 80.427 7.494 9.235 1.00 0.00 N ATOM 1516 CA LEU I 157 79.360 6.613 9.697 1.00 0.00 C ATOM 1517 C LEU I 157 78.787 7.114 11.021 1.00 0.00 C ATOM 1518 O LEU I 157 77.809 6.570 11.535 1.00 0.00 O ATOM 1519 CB LEU I 157 79.890 5.188 9.883 1.00 0.00 C ATOM 1520 CG LEU I 157 80.088 4.527 8.514 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.858 5.473 7.590 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.884 3.232 8.686 1.00 0.00 C ATOM 0 H LEU I 157 81.366 7.103 9.314 1.00 0.00 H new ATOM 0 HA LEU I 157 78.572 6.611 8.944 1.00 0.00 H new ATOM 0 HB2 LEU I 157 80.834 5.209 10.427 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.190 4.605 10.481 1.00 0.00 H new ATOM 0 HG LEU I 157 79.114 4.306 8.077 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.997 4.999 6.618 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.295 6.398 7.466 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.831 5.696 8.027 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.026 2.760 7.714 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.856 3.458 9.125 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.338 2.554 9.342 1.00 0.00 H new