USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 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 -131:sc=-0.00609 (180deg=-0.343) USER MOD Set 1.2: C 81 MET CE :methyl 133:sc= -3.08 (180deg=-5.26!) USER MOD Set 2.1: C 69 SER OG : rot -102:sc= 1.3 USER MOD Set 2.2: C 71 THR OG1 : rot -170:sc= -0.798 USER MOD Set 3.1: C 45 MET CE :methyl -145:sc= -1.19 (180deg=-2.06) USER MOD Set 3.2: C 50 GLN : amide:sc= -0.126 K(o=-1.3,f=-4) USER MOD Set 4.1: C 13 THR OG1 : rot 180:sc= -2.87! USER MOD Set 4.2: C 16 GLN : amide:sc= -6.97! C(o=-9.8!,f=-23!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.41) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.2) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.34 USER MOD Single : C 37 SER OG : rot 180:sc= 0.358 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.118 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -144:sc= -6.07! (180deg=-8.24!) USER MOD Single : C 51 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.34) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.091) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -57:sc= 0.638 USER MOD Single : C 85 MET CE :methyl 159:sc= -0.0872 (180deg=-0.836) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= -0.917! USER MOD Single : I 153 MET CE :methyl 159:sc= -0.834 (180deg=-2.28!) 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=-0.053) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.458 -15.848 -2.221 1.00 0.00 N ATOM 64 CA TYR C 5 86.340 -14.671 -1.365 1.00 0.00 C ATOM 65 C TYR C 5 85.428 -14.973 -0.181 1.00 0.00 C ATOM 66 O TYR C 5 85.605 -14.438 0.913 1.00 0.00 O ATOM 67 CB TYR C 5 85.763 -13.490 -2.148 1.00 0.00 C ATOM 68 CG TYR C 5 86.706 -13.117 -3.267 1.00 0.00 C ATOM 69 CD1 TYR C 5 86.575 -13.722 -4.522 1.00 0.00 C ATOM 70 CD2 TYR C 5 87.710 -12.166 -3.050 1.00 0.00 C ATOM 71 CE1 TYR C 5 87.448 -13.377 -5.560 1.00 0.00 C ATOM 72 CE2 TYR C 5 88.584 -11.821 -4.088 1.00 0.00 C ATOM 73 CZ TYR C 5 88.452 -12.426 -5.344 1.00 0.00 C ATOM 74 OH TYR C 5 89.313 -12.086 -6.367 1.00 0.00 O ATOM 0 HA TYR C 5 87.336 -14.412 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.786 -13.752 -2.554 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.614 -12.638 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR C 5 85.800 -14.455 -4.690 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.810 -11.698 -2.082 1.00 0.00 H new ATOM 0 HE1 TYR C 5 87.347 -13.845 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.360 -11.089 -3.920 1.00 0.00 H new ATOM 0 HH TYR C 5 89.949 -11.411 -6.049 1.00 0.00 H new ATOM 84 N LYS C 6 84.448 -15.842 -0.416 1.00 0.00 N ATOM 85 CA LYS C 6 83.506 -16.218 0.635 1.00 0.00 C ATOM 86 C LYS C 6 84.257 -16.600 1.906 1.00 0.00 C ATOM 87 O LYS C 6 83.796 -16.342 3.018 1.00 0.00 O ATOM 88 CB LYS C 6 82.646 -17.402 0.185 1.00 0.00 C ATOM 89 CG LYS C 6 81.320 -16.885 -0.375 1.00 0.00 C ATOM 90 CD LYS C 6 80.387 -16.510 0.778 1.00 0.00 C ATOM 91 CE LYS C 6 79.022 -17.168 0.567 1.00 0.00 C ATOM 92 NZ LYS C 6 79.087 -18.596 0.990 1.00 0.00 N ATOM 0 H LYS C 6 84.286 -16.295 -1.315 1.00 0.00 H new ATOM 0 HA LYS C 6 82.863 -15.361 0.836 1.00 0.00 H new ATOM 0 HB2 LYS C 6 83.173 -17.980 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.462 -18.072 1.025 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.496 -16.017 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.855 -17.648 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.816 -16.834 1.726 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.276 -15.427 0.832 1.00 0.00 H new ATOM 0 HE2 LYS C 6 78.260 -16.642 1.142 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.733 -17.101 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.159 -19.043 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.803 -19.094 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.345 -18.649 1.996 1.00 0.00 H new ATOM 106 N ALA C 7 85.423 -17.215 1.728 1.00 0.00 N ATOM 107 CA ALA C 7 86.238 -17.624 2.868 1.00 0.00 C ATOM 108 C ALA C 7 86.814 -16.398 3.566 1.00 0.00 C ATOM 109 O ALA C 7 86.517 -16.130 4.730 1.00 0.00 O ATOM 110 CB ALA C 7 87.386 -18.526 2.412 1.00 0.00 C ATOM 0 H ALA C 7 85.821 -17.439 0.816 1.00 0.00 H new ATOM 0 HA ALA C 7 85.602 -18.176 3.560 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.982 -18.821 3.276 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.980 -19.416 1.931 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.015 -17.985 1.704 1.00 0.00 H new ATOM 116 N ALA C 8 87.638 -15.651 2.835 1.00 0.00 N ATOM 117 CA ALA C 8 88.247 -14.446 3.388 1.00 0.00 C ATOM 118 C ALA C 8 87.165 -13.497 3.892 1.00 0.00 C ATOM 119 O ALA C 8 87.319 -12.847 4.927 1.00 0.00 O ATOM 120 CB ALA C 8 89.084 -13.732 2.325 1.00 0.00 C ATOM 0 H ALA C 8 87.897 -15.856 1.870 1.00 0.00 H new ATOM 0 HA ALA C 8 88.893 -14.739 4.216 1.00 0.00 H new ATOM 0 HB1 ALA C 8 89.531 -12.836 2.755 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.873 -14.398 1.975 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.446 -13.453 1.486 1.00 0.00 H new ATOM 126 N VAL C 9 86.064 -13.433 3.149 1.00 0.00 N ATOM 127 CA VAL C 9 84.950 -12.567 3.527 1.00 0.00 C ATOM 128 C VAL C 9 84.237 -13.133 4.753 1.00 0.00 C ATOM 129 O VAL C 9 83.466 -12.439 5.415 1.00 0.00 O ATOM 130 CB VAL C 9 83.951 -12.447 2.373 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.657 -11.799 2.872 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.557 -11.583 1.265 1.00 0.00 C ATOM 0 H VAL C 9 85.919 -13.964 2.290 1.00 0.00 H new ATOM 0 HA VAL C 9 85.348 -11.580 3.761 1.00 0.00 H new ATOM 0 HB VAL C 9 83.729 -13.441 1.984 1.00 0.00 H new ATOM 0 HG11 VAL C 9 81.950 -11.716 2.047 1.00 0.00 H new ATOM 0 HG12 VAL C 9 82.223 -12.413 3.661 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.875 -10.806 3.264 1.00 0.00 H new ATOM 0 HG21 VAL C 9 83.847 -11.496 0.442 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.780 -10.591 1.658 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.476 -12.045 0.904 1.00 0.00 H new ATOM 142 N GLU C 10 84.511 -14.400 5.048 1.00 0.00 N ATOM 143 CA GLU C 10 83.899 -15.053 6.200 1.00 0.00 C ATOM 144 C GLU C 10 84.764 -14.842 7.437 1.00 0.00 C ATOM 145 O GLU C 10 84.316 -15.025 8.569 1.00 0.00 O ATOM 146 CB GLU C 10 83.740 -16.553 5.946 1.00 0.00 C ATOM 147 CG GLU C 10 82.450 -16.803 5.162 1.00 0.00 C ATOM 148 CD GLU C 10 81.303 -17.049 6.136 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.939 -16.121 6.839 1.00 0.00 O ATOM 150 OE2 GLU C 10 80.806 -18.163 6.165 1.00 0.00 O ATOM 0 H GLU C 10 85.147 -14.990 4.511 1.00 0.00 H new ATOM 0 HA GLU C 10 82.915 -14.613 6.361 1.00 0.00 H new ATOM 0 HB2 GLU C 10 84.597 -16.931 5.388 1.00 0.00 H new ATOM 0 HB3 GLU C 10 83.713 -17.092 6.893 1.00 0.00 H new ATOM 0 HG2 GLU C 10 82.225 -15.945 4.528 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.573 -17.663 4.503 1.00 0.00 H new ATOM 157 N GLN C 11 86.012 -14.448 7.203 1.00 0.00 N ATOM 158 CA GLN C 11 86.946 -14.204 8.295 1.00 0.00 C ATOM 159 C GLN C 11 86.509 -12.987 9.100 1.00 0.00 C ATOM 160 O GLN C 11 86.642 -12.951 10.323 1.00 0.00 O ATOM 161 CB GLN C 11 88.348 -13.950 7.744 1.00 0.00 C ATOM 162 CG GLN C 11 88.867 -15.216 7.062 1.00 0.00 C ATOM 163 CD GLN C 11 89.054 -16.315 8.103 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.741 -16.119 9.105 1.00 0.00 O ATOM 165 NE2 GLN C 11 88.477 -17.471 7.923 1.00 0.00 N ATOM 0 H GLN C 11 86.398 -14.292 6.272 1.00 0.00 H new ATOM 0 HA GLN C 11 86.957 -15.085 8.937 1.00 0.00 H new ATOM 0 HB2 GLN C 11 88.326 -13.124 7.033 1.00 0.00 H new ATOM 0 HB3 GLN C 11 89.020 -13.658 8.551 1.00 0.00 H new ATOM 0 HG2 GLN C 11 88.165 -15.543 6.295 1.00 0.00 H new ATOM 0 HG3 GLN C 11 89.813 -15.010 6.561 1.00 0.00 H new ATOM 0 HE21 GLN C 11 87.908 -17.633 7.092 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.595 -18.213 8.613 1.00 0.00 H new ATOM 174 N LEU C 12 85.989 -11.987 8.395 1.00 0.00 N ATOM 175 CA LEU C 12 85.536 -10.764 9.042 1.00 0.00 C ATOM 176 C LEU C 12 84.617 -11.089 10.215 1.00 0.00 C ATOM 177 O LEU C 12 83.860 -12.059 10.179 1.00 0.00 O ATOM 178 CB LEU C 12 84.780 -9.892 8.039 1.00 0.00 C ATOM 179 CG LEU C 12 85.762 -9.183 7.095 1.00 0.00 C ATOM 180 CD1 LEU C 12 86.261 -7.895 7.750 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.963 -10.086 6.777 1.00 0.00 C ATOM 0 H LEU C 12 85.872 -12.000 7.382 1.00 0.00 H new ATOM 0 HA LEU C 12 86.410 -10.227 9.410 1.00 0.00 H new ATOM 0 HB2 LEU C 12 84.090 -10.507 7.461 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.180 -9.153 8.570 1.00 0.00 H new ATOM 0 HG LEU C 12 85.241 -8.953 6.166 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.958 -7.392 7.080 1.00 0.00 H new ATOM 0 HD12 LEU C 12 85.415 -7.238 7.953 1.00 0.00 H new ATOM 0 HD13 LEU C 12 86.766 -8.135 8.685 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.645 -9.562 6.107 1.00 0.00 H new ATOM 0 HD22 LEU C 12 87.484 -10.337 7.701 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.614 -11.000 6.297 1.00 0.00 H new ATOM 193 N THR C 13 84.690 -10.265 11.256 1.00 0.00 N ATOM 194 CA THR C 13 83.857 -10.474 12.437 1.00 0.00 C ATOM 195 C THR C 13 82.435 -9.988 12.178 1.00 0.00 C ATOM 196 O THR C 13 82.179 -9.245 11.231 1.00 0.00 O ATOM 197 CB THR C 13 84.430 -9.723 13.640 1.00 0.00 C ATOM 198 OG1 THR C 13 85.085 -8.545 13.192 1.00 0.00 O ATOM 199 CG2 THR C 13 85.430 -10.618 14.373 1.00 0.00 C ATOM 0 H THR C 13 85.309 -9.456 11.307 1.00 0.00 H new ATOM 0 HA THR C 13 83.843 -11.542 12.652 1.00 0.00 H new ATOM 0 HB THR C 13 83.622 -9.453 14.320 1.00 0.00 H new ATOM 0 HG1 THR C 13 85.452 -8.062 13.962 1.00 0.00 H new ATOM 0 HG21 THR C 13 85.838 -10.082 15.230 1.00 0.00 H new ATOM 0 HG22 THR C 13 84.926 -11.522 14.716 1.00 0.00 H new ATOM 0 HG23 THR C 13 86.240 -10.889 13.696 1.00 0.00 H new ATOM 207 N GLU C 14 81.514 -10.419 13.034 1.00 0.00 N ATOM 208 CA GLU C 14 80.114 -10.028 12.895 1.00 0.00 C ATOM 209 C GLU C 14 79.954 -8.522 13.081 1.00 0.00 C ATOM 210 O GLU C 14 78.964 -7.932 12.649 1.00 0.00 O ATOM 211 CB GLU C 14 79.253 -10.751 13.931 1.00 0.00 C ATOM 212 CG GLU C 14 78.341 -11.755 13.225 1.00 0.00 C ATOM 213 CD GLU C 14 77.110 -12.016 14.085 1.00 0.00 C ATOM 214 OE1 GLU C 14 76.511 -11.053 14.535 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.783 -13.175 14.281 1.00 0.00 O ATOM 0 H GLU C 14 81.708 -11.034 13.825 1.00 0.00 H new ATOM 0 HA GLU C 14 79.788 -10.304 11.892 1.00 0.00 H new ATOM 0 HB2 GLU C 14 79.888 -11.265 14.652 1.00 0.00 H new ATOM 0 HB3 GLU C 14 78.655 -10.031 14.489 1.00 0.00 H new ATOM 0 HG2 GLU C 14 78.042 -11.368 12.251 1.00 0.00 H new ATOM 0 HG3 GLU C 14 78.877 -12.687 13.047 1.00 0.00 H new ATOM 222 N GLU C 15 80.938 -7.907 13.732 1.00 0.00 N ATOM 223 CA GLU C 15 80.892 -6.467 13.971 1.00 0.00 C ATOM 224 C GLU C 15 81.215 -5.701 12.690 1.00 0.00 C ATOM 225 O GLU C 15 80.323 -5.161 12.035 1.00 0.00 O ATOM 226 CB GLU C 15 81.888 -6.071 15.066 1.00 0.00 C ATOM 227 CG GLU C 15 81.646 -6.932 16.309 1.00 0.00 C ATOM 228 CD GLU C 15 81.966 -6.122 17.561 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.539 -5.054 17.422 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.635 -6.583 18.641 1.00 0.00 O ATOM 0 H GLU C 15 81.766 -8.375 14.099 1.00 0.00 H new ATOM 0 HA GLU C 15 79.883 -6.212 14.296 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.909 -6.206 14.710 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.773 -5.016 15.313 1.00 0.00 H new ATOM 0 HG2 GLU C 15 80.609 -7.267 16.335 1.00 0.00 H new ATOM 0 HG3 GLU C 15 82.269 -7.825 16.272 1.00 0.00 H new ATOM 237 N GLN C 16 82.499 -5.654 12.340 1.00 0.00 N ATOM 238 CA GLN C 16 82.920 -4.940 11.129 1.00 0.00 C ATOM 239 C GLN C 16 81.908 -5.162 10.009 1.00 0.00 C ATOM 240 O GLN C 16 81.493 -4.222 9.331 1.00 0.00 O ATOM 241 CB GLN C 16 84.305 -5.397 10.631 1.00 0.00 C ATOM 242 CG GLN C 16 84.861 -6.524 11.507 1.00 0.00 C ATOM 243 CD GLN C 16 86.079 -7.140 10.829 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.004 -8.243 10.286 1.00 0.00 O ATOM 245 NE2 GLN C 16 87.210 -6.488 10.826 1.00 0.00 N ATOM 0 H GLN C 16 83.256 -6.092 12.865 1.00 0.00 H new ATOM 0 HA GLN C 16 82.979 -3.884 11.393 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.229 -5.738 9.599 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.994 -4.553 10.638 1.00 0.00 H new ATOM 0 HG2 GLN C 16 85.135 -6.135 12.488 1.00 0.00 H new ATOM 0 HG3 GLN C 16 84.097 -7.285 11.668 1.00 0.00 H new ATOM 0 HE21 GLN C 16 87.273 -5.574 11.275 1.00 0.00 H new ATOM 0 HE22 GLN C 16 88.030 -6.892 10.374 1.00 0.00 H new ATOM 254 N LYS C 17 81.521 -6.420 9.821 1.00 0.00 N ATOM 255 CA LYS C 17 80.559 -6.767 8.777 1.00 0.00 C ATOM 256 C LYS C 17 79.392 -5.784 8.769 1.00 0.00 C ATOM 257 O LYS C 17 78.885 -5.409 7.711 1.00 0.00 O ATOM 258 CB LYS C 17 80.017 -8.180 9.002 1.00 0.00 C ATOM 259 CG LYS C 17 79.601 -8.790 7.663 1.00 0.00 C ATOM 260 CD LYS C 17 80.826 -9.399 6.976 1.00 0.00 C ATOM 261 CE LYS C 17 80.704 -10.924 6.974 1.00 0.00 C ATOM 262 NZ LYS C 17 79.790 -11.348 5.875 1.00 0.00 N ATOM 0 H LYS C 17 81.855 -7.211 10.372 1.00 0.00 H new ATOM 0 HA LYS C 17 81.075 -6.720 7.818 1.00 0.00 H new ATOM 0 HB2 LYS C 17 80.778 -8.801 9.475 1.00 0.00 H new ATOM 0 HB3 LYS C 17 79.164 -8.149 9.680 1.00 0.00 H new ATOM 0 HG2 LYS C 17 78.841 -9.556 7.821 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.156 -8.026 7.026 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.905 -9.028 5.954 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.735 -9.097 7.496 1.00 0.00 H new ATOM 0 HE2 LYS C 17 81.686 -11.378 6.840 1.00 0.00 H new ATOM 0 HE3 LYS C 17 80.321 -11.270 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.707 -12.385 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 78.851 -10.925 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.174 -11.030 4.962 1.00 0.00 H new ATOM 276 N ASN C 18 78.967 -5.377 9.961 1.00 0.00 N ATOM 277 CA ASN C 18 77.852 -4.441 10.084 1.00 0.00 C ATOM 278 C ASN C 18 78.278 -3.034 9.674 1.00 0.00 C ATOM 279 O ASN C 18 77.911 -2.546 8.606 1.00 0.00 O ATOM 280 CB ASN C 18 77.340 -4.409 11.525 1.00 0.00 C ATOM 281 CG ASN C 18 76.796 -5.783 11.902 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.111 -6.426 11.107 1.00 0.00 O ATOM 283 ND2 ASN C 18 77.061 -6.278 13.081 1.00 0.00 N ATOM 0 H ASN C 18 79.372 -5.676 10.848 1.00 0.00 H new ATOM 0 HA ASN C 18 77.056 -4.781 9.421 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.146 -4.127 12.202 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.559 -3.656 11.628 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.700 -7.196 13.342 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.629 -5.747 13.741 1.00 0.00 H new ATOM 290 N GLU C 19 79.054 -2.386 10.539 1.00 0.00 N ATOM 291 CA GLU C 19 79.524 -1.030 10.260 1.00 0.00 C ATOM 292 C GLU C 19 79.856 -0.872 8.779 1.00 0.00 C ATOM 293 O GLU C 19 79.657 0.191 8.192 1.00 0.00 O ATOM 294 CB GLU C 19 80.773 -0.715 11.087 1.00 0.00 C ATOM 295 CG GLU C 19 81.847 -1.770 10.816 1.00 0.00 C ATOM 296 CD GLU C 19 83.063 -1.496 11.695 1.00 0.00 C ATOM 297 OE1 GLU C 19 82.963 -1.704 12.893 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.076 -1.080 11.157 1.00 0.00 O ATOM 0 H GLU C 19 79.368 -2.772 11.429 1.00 0.00 H new ATOM 0 HA GLU C 19 78.726 -0.337 10.528 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.150 0.276 10.833 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.524 -0.699 12.148 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.454 -2.766 11.021 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.133 -1.751 9.764 1.00 0.00 H new ATOM 305 N PHE C 20 80.366 -1.946 8.184 1.00 0.00 N ATOM 306 CA PHE C 20 80.728 -1.925 6.769 1.00 0.00 C ATOM 307 C PHE C 20 79.535 -1.511 5.910 1.00 0.00 C ATOM 308 O PHE C 20 79.627 -0.592 5.096 1.00 0.00 O ATOM 309 CB PHE C 20 81.203 -3.308 6.321 1.00 0.00 C ATOM 310 CG PHE C 20 82.642 -3.228 5.871 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.032 -2.260 4.937 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.588 -4.122 6.388 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.366 -2.188 4.520 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.922 -4.049 5.970 1.00 0.00 C ATOM 315 CZ PHE C 20 85.311 -3.082 5.036 1.00 0.00 C ATOM 0 H PHE C 20 80.537 -2.835 8.654 1.00 0.00 H new ATOM 0 HA PHE C 20 81.532 -1.200 6.642 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.107 -4.020 7.141 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.577 -3.673 5.507 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.304 -1.569 4.539 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.288 -4.868 7.109 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.666 -1.442 3.799 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.651 -4.739 6.368 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.340 -3.026 4.714 1.00 0.00 H new ATOM 325 N LYS C 21 78.418 -2.208 6.096 1.00 0.00 N ATOM 326 CA LYS C 21 77.208 -1.916 5.330 1.00 0.00 C ATOM 327 C LYS C 21 76.839 -0.437 5.437 1.00 0.00 C ATOM 328 O LYS C 21 76.368 0.169 4.475 1.00 0.00 O ATOM 329 CB LYS C 21 76.042 -2.766 5.835 1.00 0.00 C ATOM 330 CG LYS C 21 76.491 -4.226 5.940 1.00 0.00 C ATOM 331 CD LYS C 21 75.481 -5.124 5.225 1.00 0.00 C ATOM 332 CE LYS C 21 74.273 -5.358 6.133 1.00 0.00 C ATOM 333 NZ LYS C 21 74.577 -6.455 7.095 1.00 0.00 N ATOM 0 H LYS C 21 78.324 -2.973 6.764 1.00 0.00 H new ATOM 0 HA LYS C 21 77.407 -2.156 4.285 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.708 -2.405 6.808 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.194 -2.682 5.155 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.479 -4.346 5.495 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.575 -4.517 6.987 1.00 0.00 H new ATOM 0 HD2 LYS C 21 75.163 -4.660 4.291 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.944 -6.076 4.966 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.029 -4.444 6.674 1.00 0.00 H new ATOM 0 HE3 LYS C 21 73.400 -5.617 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.755 -6.613 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 74.790 -7.328 6.571 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 75.399 -6.191 7.675 1.00 0.00 H new ATOM 347 N ALA C 22 77.058 0.139 6.614 1.00 0.00 N ATOM 348 CA ALA C 22 76.744 1.550 6.826 1.00 0.00 C ATOM 349 C ALA C 22 77.460 2.412 5.793 1.00 0.00 C ATOM 350 O ALA C 22 76.856 3.276 5.157 1.00 0.00 O ATOM 351 CB ALA C 22 77.172 1.992 8.226 1.00 0.00 C ATOM 0 H ALA C 22 77.446 -0.340 7.427 1.00 0.00 H new ATOM 0 HA ALA C 22 75.666 1.674 6.723 1.00 0.00 H new ATOM 0 HB1 ALA C 22 76.930 3.046 8.365 1.00 0.00 H new ATOM 0 HB2 ALA C 22 76.645 1.397 8.972 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.246 1.849 8.340 1.00 0.00 H new ATOM 357 N ALA C 23 78.757 2.168 5.635 1.00 0.00 N ATOM 358 CA ALA C 23 79.555 2.928 4.677 1.00 0.00 C ATOM 359 C ALA C 23 79.029 2.728 3.260 1.00 0.00 C ATOM 360 O ALA C 23 79.169 3.600 2.402 1.00 0.00 O ATOM 361 CB ALA C 23 81.017 2.489 4.731 1.00 0.00 C ATOM 0 H ALA C 23 79.275 1.457 6.152 1.00 0.00 H new ATOM 0 HA ALA C 23 79.481 3.982 4.944 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.597 3.066 4.011 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.411 2.659 5.733 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.088 1.429 4.488 1.00 0.00 H new ATOM 367 N PHE C 24 78.419 1.570 3.022 1.00 0.00 N ATOM 368 CA PHE C 24 77.872 1.268 1.702 1.00 0.00 C ATOM 369 C PHE C 24 76.751 2.246 1.362 1.00 0.00 C ATOM 370 O PHE C 24 76.511 2.560 0.195 1.00 0.00 O ATOM 371 CB PHE C 24 77.314 -0.158 1.663 1.00 0.00 C ATOM 372 CG PHE C 24 78.291 -1.072 0.961 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.623 -0.848 -0.381 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.862 -2.146 1.653 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.526 -1.700 -1.030 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.764 -2.998 1.004 1.00 0.00 C ATOM 377 CZ PHE C 24 80.096 -2.775 -0.337 1.00 0.00 C ATOM 0 H PHE C 24 78.292 0.833 3.716 1.00 0.00 H new ATOM 0 HA PHE C 24 78.677 1.361 0.973 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.132 -0.515 2.677 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.355 -0.169 1.145 1.00 0.00 H new ATOM 0 HD1 PHE C 24 78.183 -0.019 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.607 -2.318 2.688 1.00 0.00 H new ATOM 0 HE1 PHE C 24 79.783 -1.528 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.203 -3.827 1.538 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.792 -3.432 -0.837 1.00 0.00 H new ATOM 387 N ASP C 25 76.064 2.720 2.398 1.00 0.00 N ATOM 388 CA ASP C 25 74.961 3.659 2.209 1.00 0.00 C ATOM 389 C ASP C 25 75.478 5.091 2.087 1.00 0.00 C ATOM 390 O ASP C 25 74.696 6.039 2.020 1.00 0.00 O ATOM 391 CB ASP C 25 73.989 3.585 3.388 1.00 0.00 C ATOM 392 CG ASP C 25 72.701 2.898 2.946 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.021 3.449 2.095 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.413 1.832 3.465 1.00 0.00 O ATOM 0 H ASP C 25 76.249 2.472 3.370 1.00 0.00 H new ATOM 0 HA ASP C 25 74.447 3.382 1.289 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.442 3.035 4.212 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.771 4.587 3.756 1.00 0.00 H new ATOM 399 N ILE C 26 76.800 5.242 2.057 1.00 0.00 N ATOM 400 CA ILE C 26 77.393 6.573 1.939 1.00 0.00 C ATOM 401 C ILE C 26 78.003 6.757 0.555 1.00 0.00 C ATOM 402 O ILE C 26 77.632 7.667 -0.187 1.00 0.00 O ATOM 403 CB ILE C 26 78.483 6.796 2.994 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.301 5.814 4.157 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.390 8.229 3.521 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.103 6.233 5.011 1.00 0.00 C ATOM 0 H ILE C 26 77.471 4.476 2.112 1.00 0.00 H new ATOM 0 HA ILE C 26 76.596 7.300 2.097 1.00 0.00 H new ATOM 0 HB ILE C 26 79.459 6.631 2.539 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.149 4.806 3.772 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.203 5.790 4.768 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.164 8.392 4.272 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.530 8.929 2.698 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.410 8.389 3.970 1.00 0.00 H new ATOM 0 HD11 ILE C 26 76.980 5.530 5.835 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.272 7.233 5.409 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.202 6.234 4.398 1.00 0.00 H new ATOM 418 N PHE C 27 78.943 5.881 0.214 1.00 0.00 N ATOM 419 CA PHE C 27 79.597 5.953 -1.088 1.00 0.00 C ATOM 420 C PHE C 27 78.556 6.121 -2.190 1.00 0.00 C ATOM 421 O PHE C 27 78.763 6.856 -3.155 1.00 0.00 O ATOM 422 CB PHE C 27 80.403 4.681 -1.354 1.00 0.00 C ATOM 423 CG PHE C 27 81.232 4.345 -0.138 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.265 5.201 0.263 1.00 0.00 C ATOM 425 CD2 PHE C 27 80.968 3.178 0.589 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.034 4.889 1.391 1.00 0.00 C ATOM 427 CE2 PHE C 27 81.737 2.867 1.717 1.00 0.00 C ATOM 428 CZ PHE C 27 82.770 3.722 2.118 1.00 0.00 C ATOM 0 H PHE C 27 79.266 5.121 0.813 1.00 0.00 H new ATOM 0 HA PHE C 27 80.269 6.811 -1.084 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.732 3.855 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.050 4.822 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.469 6.101 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.171 2.518 0.280 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.831 5.549 1.700 1.00 0.00 H new ATOM 0 HE2 PHE C 27 81.533 1.967 2.278 1.00 0.00 H new ATOM 0 HZ PHE C 27 83.363 3.482 2.988 1.00 0.00 H new ATOM 438 N VAL C 28 77.432 5.429 -2.029 1.00 0.00 N ATOM 439 CA VAL C 28 76.352 5.501 -3.009 1.00 0.00 C ATOM 440 C VAL C 28 75.097 6.087 -2.370 1.00 0.00 C ATOM 441 O VAL C 28 73.980 5.649 -2.647 1.00 0.00 O ATOM 442 CB VAL C 28 76.029 4.108 -3.552 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.170 3.627 -4.450 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.860 3.136 -2.382 1.00 0.00 C ATOM 0 H VAL C 28 77.245 4.816 -1.235 1.00 0.00 H new ATOM 0 HA VAL C 28 76.680 6.142 -3.827 1.00 0.00 H new ATOM 0 HB VAL C 28 75.107 4.150 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.936 2.634 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.294 4.319 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.094 3.584 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.630 2.142 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.784 3.097 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.046 3.476 -1.742 1.00 0.00 H new ATOM 454 N LEU C 29 75.295 7.080 -1.508 1.00 0.00 N ATOM 455 CA LEU C 29 74.173 7.720 -0.825 1.00 0.00 C ATOM 456 C LEU C 29 73.268 8.442 -1.824 1.00 0.00 C ATOM 457 O LEU C 29 72.169 8.881 -1.484 1.00 0.00 O ATOM 458 CB LEU C 29 74.685 8.696 0.257 1.00 0.00 C ATOM 459 CG LEU C 29 74.836 10.132 -0.282 1.00 0.00 C ATOM 460 CD1 LEU C 29 75.486 10.121 -1.669 1.00 0.00 C ATOM 461 CD2 LEU C 29 73.461 10.800 -0.367 1.00 0.00 C ATOM 0 H LEU C 29 76.212 7.457 -1.267 1.00 0.00 H new ATOM 0 HA LEU C 29 73.583 6.945 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.994 8.697 1.100 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.647 8.347 0.633 1.00 0.00 H new ATOM 0 HG LEU C 29 75.474 10.693 0.400 1.00 0.00 H new ATOM 0 HD11 LEU C 29 75.584 11.144 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU C 29 76.473 9.662 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU C 29 74.864 9.549 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU C 29 73.573 11.815 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU C 29 72.820 10.229 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU C 29 73.010 10.833 0.625 1.00 0.00 H new ATOM 473 N GLY C 30 73.744 8.553 -3.059 1.00 0.00 N ATOM 474 CA GLY C 30 72.974 9.219 -4.106 1.00 0.00 C ATOM 475 C GLY C 30 72.684 8.263 -5.258 1.00 0.00 C ATOM 476 O GLY C 30 71.600 8.282 -5.841 1.00 0.00 O ATOM 0 H GLY C 30 74.651 8.195 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.037 9.592 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.526 10.083 -4.475 1.00 0.00 H new ATOM 480 N ALA C 31 73.667 7.425 -5.582 1.00 0.00 N ATOM 481 CA ALA C 31 73.504 6.463 -6.670 1.00 0.00 C ATOM 482 C ALA C 31 72.263 5.609 -6.445 1.00 0.00 C ATOM 483 O ALA C 31 71.567 5.750 -5.439 1.00 0.00 O ATOM 484 CB ALA C 31 74.724 5.545 -6.770 1.00 0.00 C ATOM 0 H ALA C 31 74.573 7.392 -5.114 1.00 0.00 H new ATOM 0 HA ALA C 31 73.398 7.026 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.581 4.837 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.615 6.143 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.847 5.000 -5.834 1.00 0.00 H new ATOM 490 N GLU C 32 71.994 4.721 -7.396 1.00 0.00 N ATOM 491 CA GLU C 32 70.834 3.844 -7.299 1.00 0.00 C ATOM 492 C GLU C 32 71.251 2.460 -6.811 1.00 0.00 C ATOM 493 O GLU C 32 71.151 2.149 -5.624 1.00 0.00 O ATOM 494 CB GLU C 32 70.151 3.713 -8.660 1.00 0.00 C ATOM 495 CG GLU C 32 69.027 2.679 -8.570 1.00 0.00 C ATOM 496 CD GLU C 32 69.214 1.629 -9.658 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.170 0.877 -9.570 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.398 1.592 -10.564 1.00 0.00 O ATOM 0 H GLU C 32 72.558 4.590 -8.236 1.00 0.00 H new ATOM 0 HA GLU C 32 70.137 4.282 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU C 32 69.749 4.677 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.877 3.412 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.032 2.206 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.059 3.167 -8.684 1.00 0.00 H new ATOM 505 N ASP C 33 71.720 1.632 -7.741 1.00 0.00 N ATOM 506 CA ASP C 33 72.151 0.281 -7.393 1.00 0.00 C ATOM 507 C ASP C 33 72.973 0.303 -6.105 1.00 0.00 C ATOM 508 O ASP C 33 72.425 0.224 -5.006 1.00 0.00 O ATOM 509 CB ASP C 33 72.987 -0.326 -8.522 1.00 0.00 C ATOM 510 CG ASP C 33 73.739 0.780 -9.256 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.995 1.803 -8.642 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.049 0.588 -10.419 1.00 0.00 O ATOM 0 H ASP C 33 71.811 1.868 -8.729 1.00 0.00 H new ATOM 0 HA ASP C 33 71.262 -0.331 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.692 -1.051 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.342 -0.864 -9.217 1.00 0.00 H new ATOM 517 N GLY C 34 74.293 0.414 -6.249 1.00 0.00 N ATOM 518 CA GLY C 34 75.172 0.446 -5.084 1.00 0.00 C ATOM 519 C GLY C 34 76.633 0.358 -5.508 1.00 0.00 C ATOM 520 O GLY C 34 77.437 -0.332 -4.880 1.00 0.00 O ATOM 0 H GLY C 34 74.771 0.482 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.006 1.365 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.931 -0.382 -4.418 1.00 0.00 H new ATOM 524 N CYS C 35 76.969 1.068 -6.582 1.00 0.00 N ATOM 525 CA CYS C 35 78.339 1.066 -7.087 1.00 0.00 C ATOM 526 C CYS C 35 79.028 2.387 -6.762 1.00 0.00 C ATOM 527 O CYS C 35 78.465 3.463 -6.963 1.00 0.00 O ATOM 528 CB CYS C 35 78.354 0.857 -8.602 1.00 0.00 C ATOM 529 SG CYS C 35 77.138 -0.407 -9.051 1.00 0.00 S ATOM 0 H CYS C 35 76.319 1.646 -7.115 1.00 0.00 H new ATOM 0 HA CYS C 35 78.873 0.248 -6.604 1.00 0.00 H new ATOM 0 HB2 CYS C 35 78.125 1.793 -9.111 1.00 0.00 H new ATOM 0 HB3 CYS C 35 79.348 0.552 -8.928 1.00 0.00 H new ATOM 0 HG CYS C 35 77.150 -0.582 -10.339 1.00 0.00 H new ATOM 535 N ILE C 36 80.256 2.292 -6.260 1.00 0.00 N ATOM 536 CA ILE C 36 81.021 3.485 -5.910 1.00 0.00 C ATOM 537 C ILE C 36 81.753 4.024 -7.135 1.00 0.00 C ATOM 538 O ILE C 36 81.967 3.308 -8.113 1.00 0.00 O ATOM 539 CB ILE C 36 82.046 3.168 -4.820 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.325 2.639 -3.578 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.814 4.441 -4.458 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.329 2.474 -2.436 1.00 0.00 C ATOM 0 H ILE C 36 80.739 1.410 -6.088 1.00 0.00 H new ATOM 0 HA ILE C 36 80.321 4.235 -5.541 1.00 0.00 H new ATOM 0 HB ILE C 36 82.742 2.413 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.533 3.328 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.850 1.683 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.545 4.216 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.328 4.819 -5.342 1.00 0.00 H new ATOM 0 HG23 ILE C 36 82.117 5.195 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.815 2.097 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE C 36 83.105 1.769 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.783 3.438 -2.209 1.00 0.00 H new ATOM 554 N SER C 37 82.135 5.296 -7.068 1.00 0.00 N ATOM 555 CA SER C 37 82.846 5.927 -8.176 1.00 0.00 C ATOM 556 C SER C 37 83.972 6.807 -7.645 1.00 0.00 C ATOM 557 O SER C 37 84.311 6.760 -6.462 1.00 0.00 O ATOM 558 CB SER C 37 81.889 6.781 -9.010 1.00 0.00 C ATOM 559 OG SER C 37 82.031 8.148 -8.644 1.00 0.00 O ATOM 0 H SER C 37 81.967 5.905 -6.267 1.00 0.00 H new ATOM 0 HA SER C 37 83.264 5.141 -8.805 1.00 0.00 H new ATOM 0 HB2 SER C 37 82.102 6.654 -10.071 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.861 6.456 -8.850 1.00 0.00 H new ATOM 0 HG SER C 37 81.419 8.695 -9.179 1.00 0.00 H new ATOM 565 N THR C 38 84.549 7.612 -8.531 1.00 0.00 N ATOM 566 CA THR C 38 85.638 8.501 -8.139 1.00 0.00 C ATOM 567 C THR C 38 85.082 9.788 -7.536 1.00 0.00 C ATOM 568 O THR C 38 85.642 10.340 -6.590 1.00 0.00 O ATOM 569 CB THR C 38 86.508 8.851 -9.347 1.00 0.00 C ATOM 570 OG1 THR C 38 85.895 9.900 -10.083 1.00 0.00 O ATOM 571 CG2 THR C 38 86.662 7.619 -10.241 1.00 0.00 C ATOM 0 H THR C 38 84.285 7.668 -9.515 1.00 0.00 H new ATOM 0 HA THR C 38 86.244 7.983 -7.396 1.00 0.00 H new ATOM 0 HB THR C 38 87.491 9.174 -9.005 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.453 10.126 -10.856 1.00 0.00 H new ATOM 0 HG21 THR C 38 87.282 7.869 -11.102 1.00 0.00 H new ATOM 0 HG22 THR C 38 87.134 6.816 -9.675 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.680 7.293 -10.584 1.00 0.00 H new ATOM 579 N LYS C 39 83.972 10.257 -8.098 1.00 0.00 N ATOM 580 CA LYS C 39 83.341 11.481 -7.612 1.00 0.00 C ATOM 581 C LYS C 39 82.393 11.171 -6.457 1.00 0.00 C ATOM 582 O LYS C 39 82.059 12.045 -5.657 1.00 0.00 O ATOM 583 CB LYS C 39 82.554 12.160 -8.734 1.00 0.00 C ATOM 584 CG LYS C 39 83.501 13.016 -9.577 1.00 0.00 C ATOM 585 CD LYS C 39 82.864 13.293 -10.940 1.00 0.00 C ATOM 586 CE LYS C 39 82.152 14.646 -10.905 1.00 0.00 C ATOM 587 NZ LYS C 39 80.771 14.494 -11.443 1.00 0.00 N ATOM 0 H LYS C 39 83.494 9.814 -8.883 1.00 0.00 H new ATOM 0 HA LYS C 39 84.129 12.150 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.071 11.409 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.763 12.781 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.712 13.955 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS C 39 84.454 12.503 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS C 39 83.628 13.292 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS C 39 82.155 12.503 -11.189 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.116 15.024 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.706 15.376 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 80.286 15.414 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 80.816 14.151 -12.424 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 80.245 13.811 -10.862 1.00 0.00 H new ATOM 601 N GLU C 40 81.962 9.914 -6.381 1.00 0.00 N ATOM 602 CA GLU C 40 81.048 9.494 -5.321 1.00 0.00 C ATOM 603 C GLU C 40 81.823 9.100 -4.066 1.00 0.00 C ATOM 604 O GLU C 40 81.415 9.406 -2.946 1.00 0.00 O ATOM 605 CB GLU C 40 80.205 8.302 -5.780 1.00 0.00 C ATOM 606 CG GLU C 40 78.740 8.535 -5.402 1.00 0.00 C ATOM 607 CD GLU C 40 78.113 9.523 -6.381 1.00 0.00 C ATOM 608 OE1 GLU C 40 78.199 9.280 -7.573 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.556 10.507 -5.923 1.00 0.00 O ATOM 0 H GLU C 40 82.227 9.176 -7.033 1.00 0.00 H new ATOM 0 HA GLU C 40 80.394 10.336 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.297 8.172 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.570 7.385 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.194 7.592 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.673 8.922 -4.385 1.00 0.00 H new ATOM 616 N LEU C 41 82.946 8.414 -4.266 1.00 0.00 N ATOM 617 CA LEU C 41 83.772 7.979 -3.141 1.00 0.00 C ATOM 618 C LEU C 41 84.329 9.185 -2.388 1.00 0.00 C ATOM 619 O LEU C 41 84.228 9.272 -1.164 1.00 0.00 O ATOM 620 CB LEU C 41 84.938 7.117 -3.635 1.00 0.00 C ATOM 621 CG LEU C 41 85.943 6.911 -2.500 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.211 6.421 -1.250 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.978 5.869 -2.921 1.00 0.00 C ATOM 0 H LEU C 41 83.302 8.150 -5.184 1.00 0.00 H new ATOM 0 HA LEU C 41 83.144 7.392 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.568 6.154 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.426 7.599 -4.483 1.00 0.00 H new ATOM 0 HG LEU C 41 86.442 7.856 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.928 6.275 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.471 7.162 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.712 5.477 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.695 5.721 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.477 4.926 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.502 6.216 -3.812 1.00 0.00 H new ATOM 635 N GLY C 42 84.923 10.110 -3.136 1.00 0.00 N ATOM 636 CA GLY C 42 85.502 11.309 -2.534 1.00 0.00 C ATOM 637 C GLY C 42 84.562 11.909 -1.493 1.00 0.00 C ATOM 638 O GLY C 42 84.994 12.603 -0.573 1.00 0.00 O ATOM 0 H GLY C 42 85.016 10.055 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.456 11.061 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.708 12.046 -3.310 1.00 0.00 H new ATOM 642 N LYS C 43 83.269 11.639 -1.653 1.00 0.00 N ATOM 643 CA LYS C 43 82.271 12.163 -0.726 1.00 0.00 C ATOM 644 C LYS C 43 82.422 11.528 0.654 1.00 0.00 C ATOM 645 O LYS C 43 82.178 12.168 1.676 1.00 0.00 O ATOM 646 CB LYS C 43 80.859 11.885 -1.246 1.00 0.00 C ATOM 647 CG LYS C 43 79.999 13.139 -1.080 1.00 0.00 C ATOM 648 CD LYS C 43 78.683 12.960 -1.839 1.00 0.00 C ATOM 649 CE LYS C 43 77.855 14.242 -1.736 1.00 0.00 C ATOM 650 NZ LYS C 43 77.748 14.873 -3.082 1.00 0.00 N ATOM 0 H LYS C 43 82.891 11.066 -2.408 1.00 0.00 H new ATOM 0 HA LYS C 43 82.428 13.239 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.897 11.593 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.416 11.052 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.800 13.319 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.533 14.011 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.883 12.727 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.124 12.120 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS C 43 76.862 14.016 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.321 14.934 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.185 15.745 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 78.699 15.102 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.285 14.213 -3.739 1.00 0.00 H new ATOM 664 N VAL C 44 82.820 10.258 0.672 1.00 0.00 N ATOM 665 CA VAL C 44 82.990 9.545 1.936 1.00 0.00 C ATOM 666 C VAL C 44 84.363 9.828 2.540 1.00 0.00 C ATOM 667 O VAL C 44 84.474 10.260 3.687 1.00 0.00 O ATOM 668 CB VAL C 44 82.841 8.037 1.725 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.096 7.309 3.046 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.422 7.729 1.240 1.00 0.00 C ATOM 0 H VAL C 44 83.028 9.708 -0.161 1.00 0.00 H new ATOM 0 HA VAL C 44 82.218 9.897 2.620 1.00 0.00 H new ATOM 0 HB VAL C 44 83.562 7.701 0.980 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.990 6.235 2.896 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.105 7.529 3.394 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.375 7.644 3.791 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.314 6.655 1.089 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.702 8.065 1.986 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.238 8.248 0.299 1.00 0.00 H new ATOM 680 N MET C 45 85.408 9.573 1.758 1.00 0.00 N ATOM 681 CA MET C 45 86.772 9.798 2.232 1.00 0.00 C ATOM 682 C MET C 45 86.919 11.206 2.803 1.00 0.00 C ATOM 683 O MET C 45 87.784 11.462 3.640 1.00 0.00 O ATOM 684 CB MET C 45 87.778 9.612 1.093 1.00 0.00 C ATOM 685 CG MET C 45 87.465 8.324 0.321 1.00 0.00 C ATOM 686 SD MET C 45 87.131 6.967 1.476 1.00 0.00 S ATOM 687 CE MET C 45 88.656 7.094 2.443 1.00 0.00 C ATOM 0 H MET C 45 85.340 9.215 0.805 1.00 0.00 H new ATOM 0 HA MET C 45 86.975 9.068 3.015 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.739 10.468 0.419 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.790 9.568 1.495 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.603 8.480 -0.327 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.305 8.064 -0.323 1.00 0.00 H new ATOM 0 HE1 MET C 45 88.976 6.098 2.751 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.435 7.553 1.835 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.477 7.707 3.326 1.00 0.00 H new ATOM 697 N ARG C 46 86.064 12.115 2.342 1.00 0.00 N ATOM 698 CA ARG C 46 86.111 13.495 2.819 1.00 0.00 C ATOM 699 C ARG C 46 85.300 13.641 4.103 1.00 0.00 C ATOM 700 O ARG C 46 85.486 14.588 4.869 1.00 0.00 O ATOM 701 CB ARG C 46 85.563 14.454 1.754 1.00 0.00 C ATOM 702 CG ARG C 46 84.032 14.434 1.763 1.00 0.00 C ATOM 703 CD ARG C 46 83.512 15.672 2.495 1.00 0.00 C ATOM 704 NE ARG C 46 84.106 16.885 1.939 1.00 0.00 N ATOM 705 CZ ARG C 46 83.734 17.344 0.748 1.00 0.00 C ATOM 706 NH1 ARG C 46 82.828 16.708 0.058 1.00 0.00 N ATOM 707 NH2 ARG C 46 84.275 18.431 0.269 1.00 0.00 N ATOM 0 H ARG C 46 85.340 11.926 1.649 1.00 0.00 H new ATOM 0 HA ARG C 46 87.152 13.748 3.021 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.922 15.465 1.945 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.932 14.166 0.770 1.00 0.00 H new ATOM 0 HG2 ARG C 46 83.652 14.415 0.742 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.672 13.530 2.254 1.00 0.00 H new ATOM 0 HD2 ARG C 46 82.426 15.721 2.412 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.747 15.599 3.557 1.00 0.00 H new ATOM 0 HE ARG C 46 84.816 17.387 2.472 1.00 0.00 H new ATOM 0 HH11 ARG C 46 82.405 15.859 0.432 1.00 0.00 H new ATOM 0 HH12 ARG C 46 82.543 17.060 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG C 46 84.983 18.929 0.808 1.00 0.00 H new ATOM 0 HH22 ARG C 46 83.989 18.783 -0.645 1.00 0.00 H new ATOM 721 N MET C 47 84.398 12.691 4.328 1.00 0.00 N ATOM 722 CA MET C 47 83.558 12.717 5.523 1.00 0.00 C ATOM 723 C MET C 47 84.352 12.260 6.743 1.00 0.00 C ATOM 724 O MET C 47 84.081 12.678 7.869 1.00 0.00 O ATOM 725 CB MET C 47 82.348 11.798 5.346 1.00 0.00 C ATOM 726 CG MET C 47 81.231 12.553 4.622 1.00 0.00 C ATOM 727 SD MET C 47 79.890 12.909 5.784 1.00 0.00 S ATOM 728 CE MET C 47 79.547 11.199 6.265 1.00 0.00 C ATOM 0 H MET C 47 84.230 11.900 3.706 1.00 0.00 H new ATOM 0 HA MET C 47 83.218 13.742 5.673 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.631 10.913 4.776 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.996 11.452 6.318 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.618 13.481 4.202 1.00 0.00 H new ATOM 0 HG3 MET C 47 80.856 11.958 3.789 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.476 11.073 6.423 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.879 10.525 5.475 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.079 10.967 7.187 1.00 0.00 H new ATOM 738 N LEU C 48 85.334 11.393 6.509 1.00 0.00 N ATOM 739 CA LEU C 48 86.159 10.880 7.601 1.00 0.00 C ATOM 740 C LEU C 48 87.165 11.935 8.056 1.00 0.00 C ATOM 741 O LEU C 48 87.014 12.537 9.119 1.00 0.00 O ATOM 742 CB LEU C 48 86.916 9.616 7.171 1.00 0.00 C ATOM 743 CG LEU C 48 86.142 8.893 6.064 1.00 0.00 C ATOM 744 CD1 LEU C 48 86.698 7.478 5.897 1.00 0.00 C ATOM 745 CD2 LEU C 48 84.660 8.814 6.440 1.00 0.00 C ATOM 0 H LEU C 48 85.577 11.034 5.586 1.00 0.00 H new ATOM 0 HA LEU C 48 85.493 10.633 8.428 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.912 9.882 6.816 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.049 8.953 8.026 1.00 0.00 H new ATOM 0 HG LEU C 48 86.250 9.443 5.129 1.00 0.00 H new ATOM 0 HD11 LEU C 48 86.149 6.962 5.110 1.00 0.00 H new ATOM 0 HD12 LEU C 48 87.753 7.531 5.628 1.00 0.00 H new ATOM 0 HD13 LEU C 48 86.589 6.931 6.834 1.00 0.00 H new ATOM 0 HD21 LEU C 48 84.111 8.299 5.651 1.00 0.00 H new ATOM 0 HD22 LEU C 48 84.551 8.265 7.375 1.00 0.00 H new ATOM 0 HD23 LEU C 48 84.261 9.821 6.562 1.00 0.00 H new ATOM 757 N GLY C 49 88.193 12.154 7.240 1.00 0.00 N ATOM 758 CA GLY C 49 89.219 13.140 7.572 1.00 0.00 C ATOM 759 C GLY C 49 90.336 13.128 6.535 1.00 0.00 C ATOM 760 O GLY C 49 91.505 13.340 6.858 1.00 0.00 O ATOM 0 H GLY C 49 88.338 11.669 6.354 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.773 14.133 7.621 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.630 12.926 8.559 1.00 0.00 H new ATOM 764 N GLN C 50 89.961 12.879 5.285 1.00 0.00 N ATOM 765 CA GLN C 50 90.934 12.843 4.198 1.00 0.00 C ATOM 766 C GLN C 50 90.412 13.630 3.003 1.00 0.00 C ATOM 767 O GLN C 50 89.209 13.673 2.751 1.00 0.00 O ATOM 768 CB GLN C 50 91.203 11.400 3.767 1.00 0.00 C ATOM 769 CG GLN C 50 91.458 10.534 5.001 1.00 0.00 C ATOM 770 CD GLN C 50 91.706 9.094 4.568 1.00 0.00 C ATOM 771 OE1 GLN C 50 90.814 8.440 4.027 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.876 8.554 4.775 1.00 0.00 N ATOM 0 H GLN C 50 88.998 12.700 5.000 1.00 0.00 H new ATOM 0 HA GLN C 50 91.862 13.290 4.556 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.351 11.012 3.208 1.00 0.00 H new ATOM 0 HB3 GLN C 50 92.065 11.364 3.101 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.318 10.913 5.553 1.00 0.00 H new ATOM 0 HG3 GLN C 50 90.602 10.580 5.674 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.615 9.095 5.223 1.00 0.00 H new ATOM 0 HE22 GLN C 50 93.051 7.591 4.489 1.00 0.00 H new ATOM 781 N ASN C 51 91.326 14.255 2.269 1.00 0.00 N ATOM 782 CA ASN C 51 90.936 15.041 1.102 1.00 0.00 C ATOM 783 C ASN C 51 91.631 14.525 -0.153 1.00 0.00 C ATOM 784 O ASN C 51 92.666 15.048 -0.567 1.00 0.00 O ATOM 785 CB ASN C 51 91.296 16.515 1.305 1.00 0.00 C ATOM 786 CG ASN C 51 91.122 17.272 -0.008 1.00 0.00 C ATOM 787 OD1 ASN C 51 92.029 17.978 -0.450 1.00 0.00 O ATOM 788 ND2 ASN C 51 90.000 17.166 -0.666 1.00 0.00 N ATOM 0 H ASN C 51 92.328 14.235 2.456 1.00 0.00 H new ATOM 0 HA ASN C 51 89.857 14.944 0.980 1.00 0.00 H new ATOM 0 HB2 ASN C 51 90.660 16.952 2.075 1.00 0.00 H new ATOM 0 HB3 ASN C 51 92.325 16.603 1.653 1.00 0.00 H new ATOM 0 HD21 ASN C 51 89.875 17.668 -1.545 1.00 0.00 H new ATOM 0 HD22 ASN C 51 89.248 16.582 -0.301 1.00 0.00 H new ATOM 795 N PRO C 52 91.057 13.497 -0.772 1.00 0.00 N ATOM 796 CA PRO C 52 91.613 12.904 -2.000 1.00 0.00 C ATOM 797 C PRO C 52 91.276 13.722 -3.244 1.00 0.00 C ATOM 798 O PRO C 52 90.823 14.863 -3.150 1.00 0.00 O ATOM 799 CB PRO C 52 90.925 11.546 -2.043 1.00 0.00 C ATOM 800 CG PRO C 52 89.639 11.674 -1.236 1.00 0.00 C ATOM 801 CD PRO C 52 89.816 12.863 -0.285 1.00 0.00 C ATOM 0 HA PRO C 52 92.702 12.855 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.708 11.256 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.569 10.774 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.786 11.833 -1.895 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.444 10.759 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.968 13.547 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.908 12.540 0.752 1.00 0.00 H new ATOM 809 N THR C 53 91.502 13.127 -4.411 1.00 0.00 N ATOM 810 CA THR C 53 91.218 13.810 -5.669 1.00 0.00 C ATOM 811 C THR C 53 90.585 12.842 -6.664 1.00 0.00 C ATOM 812 O THR C 53 90.439 11.652 -6.385 1.00 0.00 O ATOM 813 CB THR C 53 92.507 14.375 -6.273 1.00 0.00 C ATOM 814 OG1 THR C 53 93.614 13.972 -5.479 1.00 0.00 O ATOM 815 CG2 THR C 53 92.433 15.902 -6.308 1.00 0.00 C ATOM 0 H THR C 53 91.877 12.184 -4.512 1.00 0.00 H new ATOM 0 HA THR C 53 90.526 14.627 -5.464 1.00 0.00 H new ATOM 0 HB THR C 53 92.628 13.997 -7.288 1.00 0.00 H new ATOM 0 HG1 THR C 53 94.441 14.331 -5.864 1.00 0.00 H new ATOM 0 HG21 THR C 53 93.352 16.301 -6.738 1.00 0.00 H new ATOM 0 HG22 THR C 53 91.583 16.211 -6.916 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.311 16.284 -5.294 1.00 0.00 H new ATOM 823 N PRO C 54 90.207 13.349 -7.834 1.00 0.00 N ATOM 824 CA PRO C 54 89.587 12.529 -8.889 1.00 0.00 C ATOM 825 C PRO C 54 90.620 11.741 -9.689 1.00 0.00 C ATOM 826 O PRO C 54 90.309 10.715 -10.295 1.00 0.00 O ATOM 827 CB PRO C 54 88.908 13.581 -9.758 1.00 0.00 C ATOM 828 CG PRO C 54 89.639 14.897 -9.517 1.00 0.00 C ATOM 829 CD PRO C 54 90.379 14.772 -8.181 1.00 0.00 C ATOM 0 HA PRO C 54 88.910 11.771 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO C 54 88.955 13.301 -10.810 1.00 0.00 H new ATOM 0 HB3 PRO C 54 87.853 13.673 -9.499 1.00 0.00 H new ATOM 0 HG2 PRO C 54 90.340 15.101 -10.326 1.00 0.00 H new ATOM 0 HG3 PRO C 54 88.934 15.728 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO C 54 91.431 15.039 -8.277 1.00 0.00 H new ATOM 0 HD3 PRO C 54 89.952 15.426 -7.421 1.00 0.00 H new ATOM 837 N GLU C 55 91.856 12.231 -9.673 1.00 0.00 N ATOM 838 CA GLU C 55 92.939 11.565 -10.390 1.00 0.00 C ATOM 839 C GLU C 55 93.488 10.416 -9.552 1.00 0.00 C ATOM 840 O GLU C 55 94.018 9.439 -10.081 1.00 0.00 O ATOM 841 CB GLU C 55 94.070 12.551 -10.693 1.00 0.00 C ATOM 842 CG GLU C 55 93.521 13.724 -11.507 1.00 0.00 C ATOM 843 CD GLU C 55 94.584 14.812 -11.617 1.00 0.00 C ATOM 844 OE1 GLU C 55 95.485 14.817 -10.794 1.00 0.00 O ATOM 845 OE2 GLU C 55 94.481 15.624 -12.522 1.00 0.00 O ATOM 0 H GLU C 55 92.131 13.078 -9.177 1.00 0.00 H new ATOM 0 HA GLU C 55 92.541 11.179 -11.329 1.00 0.00 H new ATOM 0 HB2 GLU C 55 94.509 12.914 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU C 55 94.864 12.051 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU C 55 93.229 13.385 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU C 55 92.626 14.123 -11.030 1.00 0.00 H new ATOM 852 N GLU C 56 93.349 10.546 -8.235 1.00 0.00 N ATOM 853 CA GLU C 56 93.829 9.513 -7.321 1.00 0.00 C ATOM 854 C GLU C 56 92.738 8.475 -7.083 1.00 0.00 C ATOM 855 O GLU C 56 92.984 7.270 -7.142 1.00 0.00 O ATOM 856 CB GLU C 56 94.234 10.128 -5.979 1.00 0.00 C ATOM 857 CG GLU C 56 95.749 10.014 -5.802 1.00 0.00 C ATOM 858 CD GLU C 56 96.062 8.931 -4.775 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.277 8.004 -4.661 1.00 0.00 O ATOM 860 OE2 GLU C 56 97.084 9.043 -4.117 1.00 0.00 O ATOM 0 H GLU C 56 92.912 11.348 -7.780 1.00 0.00 H new ATOM 0 HA GLU C 56 94.698 9.036 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.930 11.174 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.722 9.617 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU C 56 96.220 9.773 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU C 56 96.160 10.969 -5.476 1.00 0.00 H new ATOM 867 N LEU C 57 91.527 8.956 -6.819 1.00 0.00 N ATOM 868 CA LEU C 57 90.401 8.059 -6.580 1.00 0.00 C ATOM 869 C LEU C 57 90.267 7.075 -7.738 1.00 0.00 C ATOM 870 O LEU C 57 89.940 5.905 -7.543 1.00 0.00 O ATOM 871 CB LEU C 57 89.100 8.853 -6.440 1.00 0.00 C ATOM 872 CG LEU C 57 88.958 9.353 -5.001 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.853 10.410 -4.931 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.596 8.180 -4.086 1.00 0.00 C ATOM 0 H LEU C 57 91.301 9.949 -6.765 1.00 0.00 H new ATOM 0 HA LEU C 57 90.586 7.515 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU C 57 89.100 9.696 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU C 57 88.249 8.225 -6.704 1.00 0.00 H new ATOM 0 HG LEU C 57 89.902 9.792 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.753 10.765 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU C 57 88.108 11.247 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.909 9.972 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.495 8.536 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.653 7.741 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.382 7.426 -4.132 1.00 0.00 H new ATOM 886 N GLN C 58 90.530 7.565 -8.947 1.00 0.00 N ATOM 887 CA GLN C 58 90.443 6.721 -10.135 1.00 0.00 C ATOM 888 C GLN C 58 91.267 5.452 -9.942 1.00 0.00 C ATOM 889 O GLN C 58 90.830 4.353 -10.281 1.00 0.00 O ATOM 890 CB GLN C 58 90.960 7.469 -11.366 1.00 0.00 C ATOM 891 CG GLN C 58 90.781 6.592 -12.607 1.00 0.00 C ATOM 892 CD GLN C 58 89.321 6.626 -13.047 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.942 7.426 -13.903 1.00 0.00 O ATOM 894 NE2 GLN C 58 88.471 5.796 -12.508 1.00 0.00 N ATOM 0 H GLN C 58 90.802 8.531 -9.129 1.00 0.00 H new ATOM 0 HA GLN C 58 89.396 6.459 -10.287 1.00 0.00 H new ATOM 0 HB2 GLN C 58 90.419 8.407 -11.489 1.00 0.00 H new ATOM 0 HB3 GLN C 58 92.012 7.723 -11.235 1.00 0.00 H new ATOM 0 HG2 GLN C 58 91.423 6.948 -13.413 1.00 0.00 H new ATOM 0 HG3 GLN C 58 91.082 5.568 -12.388 1.00 0.00 H new ATOM 0 HE21 GLN C 58 88.785 5.133 -11.799 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.492 5.810 -12.796 1.00 0.00 H new ATOM 903 N GLU C 59 92.466 5.618 -9.390 1.00 0.00 N ATOM 904 CA GLU C 59 93.347 4.479 -9.151 1.00 0.00 C ATOM 905 C GLU C 59 92.711 3.523 -8.148 1.00 0.00 C ATOM 906 O GLU C 59 93.025 2.333 -8.115 1.00 0.00 O ATOM 907 CB GLU C 59 94.698 4.948 -8.606 1.00 0.00 C ATOM 908 CG GLU C 59 95.153 6.190 -9.374 1.00 0.00 C ATOM 909 CD GLU C 59 96.649 6.398 -9.166 1.00 0.00 C ATOM 910 OE1 GLU C 59 97.094 6.273 -8.037 1.00 0.00 O ATOM 911 OE2 GLU C 59 97.329 6.679 -10.140 1.00 0.00 O ATOM 0 H GLU C 59 92.847 6.520 -9.103 1.00 0.00 H new ATOM 0 HA GLU C 59 93.501 3.966 -10.100 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.615 5.175 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU C 59 95.438 4.154 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.936 6.074 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.602 7.065 -9.030 1.00 0.00 H new ATOM 918 N MET C 60 91.807 4.060 -7.334 1.00 0.00 N ATOM 919 CA MET C 60 91.120 3.251 -6.332 1.00 0.00 C ATOM 920 C MET C 60 90.163 2.278 -7.013 1.00 0.00 C ATOM 921 O MET C 60 90.051 1.116 -6.623 1.00 0.00 O ATOM 922 CB MET C 60 90.327 4.140 -5.372 1.00 0.00 C ATOM 923 CG MET C 60 91.211 5.290 -4.882 1.00 0.00 C ATOM 924 SD MET C 60 92.537 4.631 -3.840 1.00 0.00 S ATOM 925 CE MET C 60 91.688 4.818 -2.254 1.00 0.00 C ATOM 0 H MET C 60 91.535 5.043 -7.347 1.00 0.00 H new ATOM 0 HA MET C 60 91.872 2.697 -5.769 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.444 4.536 -5.874 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.975 3.552 -4.524 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.634 5.825 -5.732 1.00 0.00 H new ATOM 0 HG3 MET C 60 90.614 6.007 -4.319 1.00 0.00 H new ATOM 0 HE1 MET C 60 92.335 4.466 -1.451 1.00 0.00 H new ATOM 0 HE2 MET C 60 91.448 5.869 -2.092 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.769 4.233 -2.262 1.00 0.00 H new ATOM 935 N ILE C 61 89.474 2.773 -8.038 1.00 0.00 N ATOM 936 CA ILE C 61 88.524 1.952 -8.780 1.00 0.00 C ATOM 937 C ILE C 61 89.263 1.038 -9.755 1.00 0.00 C ATOM 938 O ILE C 61 88.812 -0.065 -10.055 1.00 0.00 O ATOM 939 CB ILE C 61 87.550 2.850 -9.557 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.513 3.452 -8.599 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.821 2.030 -10.626 1.00 0.00 C ATOM 942 CD1 ILE C 61 87.184 3.881 -7.292 1.00 0.00 C ATOM 0 H ILE C 61 89.556 3.733 -8.372 1.00 0.00 H new ATOM 0 HA ILE C 61 87.966 1.340 -8.072 1.00 0.00 H new ATOM 0 HB ILE C 61 88.118 3.650 -10.032 1.00 0.00 H new ATOM 0 HG12 ILE C 61 86.031 4.310 -9.067 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.732 2.721 -8.392 1.00 0.00 H new ATOM 0 HG21 ILE C 61 86.132 2.675 -11.172 1.00 0.00 H new ATOM 0 HG22 ILE C 61 87.548 1.607 -11.319 1.00 0.00 H new ATOM 0 HG23 ILE C 61 86.263 1.224 -10.149 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.437 4.306 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE C 61 87.645 3.014 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.949 4.628 -7.504 1.00 0.00 H new ATOM 954 N ASP C 62 90.402 1.514 -10.249 1.00 0.00 N ATOM 955 CA ASP C 62 91.197 0.735 -11.197 1.00 0.00 C ATOM 956 C ASP C 62 91.549 -0.632 -10.615 1.00 0.00 C ATOM 957 O ASP C 62 91.870 -1.568 -11.348 1.00 0.00 O ATOM 958 CB ASP C 62 92.489 1.475 -11.547 1.00 0.00 C ATOM 959 CG ASP C 62 93.357 0.591 -12.436 1.00 0.00 C ATOM 960 OD1 ASP C 62 92.948 0.327 -13.554 1.00 0.00 O ATOM 961 OD2 ASP C 62 94.418 0.192 -11.985 1.00 0.00 O ATOM 0 H ASP C 62 90.794 2.426 -10.013 1.00 0.00 H new ATOM 0 HA ASP C 62 90.599 0.598 -12.098 1.00 0.00 H new ATOM 0 HB2 ASP C 62 92.258 2.409 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP C 62 93.029 1.736 -10.637 1.00 0.00 H new ATOM 966 N GLU C 63 91.487 -0.737 -9.291 1.00 0.00 N ATOM 967 CA GLU C 63 91.805 -1.997 -8.621 1.00 0.00 C ATOM 968 C GLU C 63 90.598 -2.929 -8.637 1.00 0.00 C ATOM 969 O GLU C 63 90.731 -4.143 -8.788 1.00 0.00 O ATOM 970 CB GLU C 63 92.210 -1.746 -7.168 1.00 0.00 C ATOM 971 CG GLU C 63 93.023 -0.454 -7.077 1.00 0.00 C ATOM 972 CD GLU C 63 94.215 -0.535 -8.024 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.861 -1.569 -8.045 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.465 0.440 -8.714 1.00 0.00 O ATOM 0 H GLU C 63 91.223 0.024 -8.666 1.00 0.00 H new ATOM 0 HA GLU C 63 92.634 -2.459 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU C 63 91.322 -1.674 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.798 -2.584 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.398 0.401 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU C 63 93.367 -0.300 -6.054 1.00 0.00 H new ATOM 981 N VAL C 64 89.420 -2.341 -8.469 1.00 0.00 N ATOM 982 CA VAL C 64 88.184 -3.115 -8.452 1.00 0.00 C ATOM 983 C VAL C 64 87.538 -3.130 -9.835 1.00 0.00 C ATOM 984 O VAL C 64 86.629 -3.916 -10.102 1.00 0.00 O ATOM 985 CB VAL C 64 87.204 -2.511 -7.447 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.737 -2.721 -6.028 1.00 0.00 C ATOM 987 CG2 VAL C 64 87.060 -1.011 -7.717 1.00 0.00 C ATOM 0 H VAL C 64 89.294 -1.337 -8.343 1.00 0.00 H new ATOM 0 HA VAL C 64 88.426 -4.137 -8.162 1.00 0.00 H new ATOM 0 HB VAL C 64 86.233 -2.996 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL C 64 87.039 -2.291 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.845 -3.788 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.707 -2.234 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL C 64 86.361 -0.578 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL C 64 88.032 -0.528 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.684 -0.858 -8.729 1.00 0.00 H new ATOM 997 N ASP C 65 88.014 -2.249 -10.710 1.00 0.00 N ATOM 998 CA ASP C 65 87.473 -2.163 -12.064 1.00 0.00 C ATOM 999 C ASP C 65 87.930 -3.349 -12.906 1.00 0.00 C ATOM 1000 O ASP C 65 88.561 -3.181 -13.949 1.00 0.00 O ATOM 1001 CB ASP C 65 87.926 -0.868 -12.742 1.00 0.00 C ATOM 1002 CG ASP C 65 86.728 0.058 -12.925 1.00 0.00 C ATOM 1003 OD1 ASP C 65 85.757 -0.113 -12.207 1.00 0.00 O ATOM 1004 OD2 ASP C 65 86.799 0.923 -13.782 1.00 0.00 O ATOM 0 H ASP C 65 88.766 -1.590 -10.509 1.00 0.00 H new ATOM 0 HA ASP C 65 86.386 -2.174 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP C 65 88.689 -0.377 -12.138 1.00 0.00 H new ATOM 0 HB3 ASP C 65 88.378 -1.090 -13.709 1.00 0.00 H new ATOM 1009 N GLU C 66 87.597 -4.550 -12.444 1.00 0.00 N ATOM 1010 CA GLU C 66 87.971 -5.761 -13.168 1.00 0.00 C ATOM 1011 C GLU C 66 86.956 -6.052 -14.273 1.00 0.00 C ATOM 1012 O GLU C 66 87.145 -6.959 -15.083 1.00 0.00 O ATOM 1013 CB GLU C 66 88.032 -6.959 -12.218 1.00 0.00 C ATOM 1014 CG GLU C 66 89.450 -7.536 -12.212 1.00 0.00 C ATOM 1015 CD GLU C 66 89.796 -8.027 -10.811 1.00 0.00 C ATOM 1016 OE1 GLU C 66 88.884 -8.171 -10.012 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.967 -8.254 -10.556 1.00 0.00 O ATOM 0 H GLU C 66 87.075 -4.711 -11.582 1.00 0.00 H new ATOM 0 HA GLU C 66 88.955 -5.600 -13.608 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.749 -6.653 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.319 -7.722 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.522 -8.358 -12.924 1.00 0.00 H new ATOM 0 HG3 GLU C 66 90.164 -6.776 -12.529 1.00 0.00 H new ATOM 1024 N ASP C 67 85.877 -5.272 -14.296 1.00 0.00 N ATOM 1025 CA ASP C 67 84.837 -5.454 -15.305 1.00 0.00 C ATOM 1026 C ASP C 67 84.693 -4.199 -16.163 1.00 0.00 C ATOM 1027 O ASP C 67 83.799 -4.106 -17.005 1.00 0.00 O ATOM 1028 CB ASP C 67 83.491 -5.760 -14.642 1.00 0.00 C ATOM 1029 CG ASP C 67 83.429 -5.085 -13.275 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.367 -3.868 -13.239 1.00 0.00 O ATOM 1031 OD2 ASP C 67 83.446 -5.797 -12.284 1.00 0.00 O ATOM 0 H ASP C 67 85.701 -4.516 -13.635 1.00 0.00 H new ATOM 0 HA ASP C 67 85.130 -6.293 -15.936 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.675 -5.405 -15.271 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.364 -6.837 -14.533 1.00 0.00 H new ATOM 1036 N GLY C 68 85.584 -3.234 -15.943 1.00 0.00 N ATOM 1037 CA GLY C 68 85.547 -1.987 -16.705 1.00 0.00 C ATOM 1038 C GLY C 68 84.187 -1.308 -16.575 1.00 0.00 C ATOM 1039 O GLY C 68 83.555 -0.957 -17.572 1.00 0.00 O ATOM 0 H GLY C 68 86.332 -3.289 -15.252 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.328 -1.316 -16.349 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.757 -2.192 -17.755 1.00 0.00 H new ATOM 1043 N SER C 69 83.746 -1.123 -15.335 1.00 0.00 N ATOM 1044 CA SER C 69 82.458 -0.481 -15.083 1.00 0.00 C ATOM 1045 C SER C 69 82.661 0.970 -14.658 1.00 0.00 C ATOM 1046 O SER C 69 81.739 1.784 -14.714 1.00 0.00 O ATOM 1047 CB SER C 69 81.699 -1.220 -13.982 1.00 0.00 C ATOM 1048 OG SER C 69 82.532 -1.340 -12.836 1.00 0.00 O ATOM 0 H SER C 69 84.254 -1.404 -14.496 1.00 0.00 H new ATOM 0 HA SER C 69 81.880 -0.512 -16.006 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.787 -0.680 -13.728 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.398 -2.207 -14.332 1.00 0.00 H new ATOM 0 HG SER C 69 82.898 -2.248 -12.791 1.00 0.00 H new ATOM 1054 N GLY C 70 83.880 1.283 -14.232 1.00 0.00 N ATOM 1055 CA GLY C 70 84.199 2.639 -13.796 1.00 0.00 C ATOM 1056 C GLY C 70 83.571 2.931 -12.437 1.00 0.00 C ATOM 1057 O GLY C 70 83.515 4.079 -11.997 1.00 0.00 O ATOM 0 H GLY C 70 84.657 0.624 -14.179 1.00 0.00 H new ATOM 0 HA2 GLY C 70 85.280 2.762 -13.736 1.00 0.00 H new ATOM 0 HA3 GLY C 70 83.837 3.357 -14.531 1.00 0.00 H new ATOM 1061 N THR C 71 83.101 1.876 -11.776 1.00 0.00 N ATOM 1062 CA THR C 71 82.478 2.025 -10.463 1.00 0.00 C ATOM 1063 C THR C 71 82.824 0.833 -9.577 1.00 0.00 C ATOM 1064 O THR C 71 83.631 -0.019 -9.947 1.00 0.00 O ATOM 1065 CB THR C 71 80.956 2.122 -10.597 1.00 0.00 C ATOM 1066 OG1 THR C 71 80.426 0.839 -10.900 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.601 3.102 -11.718 1.00 0.00 C ATOM 0 H THR C 71 83.139 0.918 -12.123 1.00 0.00 H new ATOM 0 HA THR C 71 82.858 2.941 -10.011 1.00 0.00 H new ATOM 0 HB THR C 71 80.531 2.479 -9.659 1.00 0.00 H new ATOM 0 HG1 THR C 71 79.480 0.924 -11.141 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.517 3.170 -11.812 1.00 0.00 H new ATOM 0 HG22 THR C 71 81.007 4.086 -11.483 1.00 0.00 H new ATOM 0 HG23 THR C 71 81.025 2.749 -12.658 1.00 0.00 H new ATOM 1075 N VAL C 72 82.211 0.785 -8.397 1.00 0.00 N ATOM 1076 CA VAL C 72 82.471 -0.309 -7.465 1.00 0.00 C ATOM 1077 C VAL C 72 81.177 -0.786 -6.814 1.00 0.00 C ATOM 1078 O VAL C 72 80.746 -0.254 -5.791 1.00 0.00 O ATOM 1079 CB VAL C 72 83.441 0.140 -6.371 1.00 0.00 C ATOM 1080 CG1 VAL C 72 84.263 -1.060 -5.894 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.383 1.209 -6.930 1.00 0.00 C ATOM 0 H VAL C 72 81.541 1.479 -8.067 1.00 0.00 H new ATOM 0 HA VAL C 72 82.912 -1.129 -8.031 1.00 0.00 H new ATOM 0 HB VAL C 72 82.877 0.552 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.954 -0.741 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL C 72 83.595 -1.824 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.826 -1.472 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL C 72 85.074 1.529 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.946 0.796 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.800 2.065 -7.272 1.00 0.00 H new ATOM 1091 N ASP C 73 80.566 -1.801 -7.417 1.00 0.00 N ATOM 1092 CA ASP C 73 79.321 -2.354 -6.885 1.00 0.00 C ATOM 1093 C ASP C 73 79.503 -2.752 -5.421 1.00 0.00 C ATOM 1094 O ASP C 73 80.517 -2.437 -4.798 1.00 0.00 O ATOM 1095 CB ASP C 73 78.890 -3.583 -7.692 1.00 0.00 C ATOM 1096 CG ASP C 73 80.122 -4.342 -8.171 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.912 -3.753 -8.890 1.00 0.00 O ATOM 1098 OD2 ASP C 73 80.258 -5.499 -7.813 1.00 0.00 O ATOM 0 H ASP C 73 80.906 -2.255 -8.265 1.00 0.00 H new ATOM 0 HA ASP C 73 78.550 -1.588 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP C 73 78.267 -4.233 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.286 -3.276 -8.546 1.00 0.00 H new ATOM 1103 N PHE C 74 78.504 -3.442 -4.876 1.00 0.00 N ATOM 1104 CA PHE C 74 78.554 -3.874 -3.480 1.00 0.00 C ATOM 1105 C PHE C 74 79.405 -5.134 -3.323 1.00 0.00 C ATOM 1106 O PHE C 74 79.562 -5.656 -2.220 1.00 0.00 O ATOM 1107 CB PHE C 74 77.139 -4.161 -2.970 1.00 0.00 C ATOM 1108 CG PHE C 74 77.203 -4.801 -1.604 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.294 -4.000 -0.460 1.00 0.00 C ATOM 1110 CD2 PHE C 74 77.169 -6.196 -1.481 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.350 -4.593 0.807 1.00 0.00 C ATOM 1112 CE2 PHE C 74 77.227 -6.788 -0.214 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.318 -5.987 0.930 1.00 0.00 C ATOM 0 H PHE C 74 77.656 -3.713 -5.374 1.00 0.00 H new ATOM 0 HA PHE C 74 79.005 -3.070 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.567 -3.235 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.619 -4.820 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.321 -2.924 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE C 74 77.098 -6.815 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.418 -3.975 1.690 1.00 0.00 H new ATOM 0 HE2 PHE C 74 77.202 -7.864 -0.119 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.364 -6.444 1.907 1.00 0.00 H new ATOM 1123 N ASP C 75 79.948 -5.623 -4.435 1.00 0.00 N ATOM 1124 CA ASP C 75 80.772 -6.830 -4.394 1.00 0.00 C ATOM 1125 C ASP C 75 82.259 -6.481 -4.369 1.00 0.00 C ATOM 1126 O ASP C 75 82.903 -6.519 -3.320 1.00 0.00 O ATOM 1127 CB ASP C 75 80.490 -7.712 -5.612 1.00 0.00 C ATOM 1128 CG ASP C 75 79.330 -8.652 -5.303 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.325 -8.177 -4.801 1.00 0.00 O ATOM 1130 OD2 ASP C 75 79.464 -9.835 -5.573 1.00 0.00 O ATOM 0 H ASP C 75 79.836 -5.211 -5.361 1.00 0.00 H new ATOM 0 HA ASP C 75 80.517 -7.369 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP C 75 80.249 -7.092 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP C 75 81.379 -8.287 -5.871 1.00 0.00 H new ATOM 1135 N GLU C 76 82.799 -6.156 -5.540 1.00 0.00 N ATOM 1136 CA GLU C 76 84.218 -5.818 -5.650 1.00 0.00 C ATOM 1137 C GLU C 76 84.659 -4.913 -4.504 1.00 0.00 C ATOM 1138 O GLU C 76 85.805 -4.973 -4.058 1.00 0.00 O ATOM 1139 CB GLU C 76 84.507 -5.113 -6.976 1.00 0.00 C ATOM 1140 CG GLU C 76 83.432 -4.060 -7.248 1.00 0.00 C ATOM 1141 CD GLU C 76 83.668 -3.444 -8.622 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.391 -2.463 -8.694 1.00 0.00 O ATOM 1143 OE2 GLU C 76 83.127 -3.964 -9.583 1.00 0.00 O ATOM 0 H GLU C 76 82.283 -6.119 -6.419 1.00 0.00 H new ATOM 0 HA GLU C 76 84.777 -6.753 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU C 76 85.490 -4.642 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.530 -5.840 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.442 -4.515 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU C 76 83.461 -3.287 -6.480 1.00 0.00 H new ATOM 1150 N PHE C 77 83.745 -4.071 -4.033 1.00 0.00 N ATOM 1151 CA PHE C 77 84.068 -3.159 -2.940 1.00 0.00 C ATOM 1152 C PHE C 77 84.653 -3.927 -1.760 1.00 0.00 C ATOM 1153 O PHE C 77 85.823 -3.764 -1.412 1.00 0.00 O ATOM 1154 CB PHE C 77 82.820 -2.410 -2.474 1.00 0.00 C ATOM 1155 CG PHE C 77 83.187 -1.493 -1.332 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.158 -1.966 -0.015 1.00 0.00 C ATOM 1157 CD2 PHE C 77 83.559 -0.168 -1.592 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.500 -1.115 1.043 1.00 0.00 C ATOM 1159 CE2 PHE C 77 83.903 0.682 -0.534 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.874 0.209 0.783 1.00 0.00 C ATOM 0 H PHE C 77 82.790 -4.000 -4.383 1.00 0.00 H new ATOM 0 HA PHE C 77 84.802 -2.443 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.399 -1.834 -3.298 1.00 0.00 H new ATOM 0 HB3 PHE C 77 82.054 -3.118 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE C 77 82.872 -2.988 0.185 1.00 0.00 H new ATOM 0 HD2 PHE C 77 83.580 0.198 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE C 77 83.475 -1.480 2.059 1.00 0.00 H new ATOM 0 HE2 PHE C 77 84.191 1.703 -0.734 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.140 0.865 1.599 1.00 0.00 H new ATOM 1170 N LEU C 78 83.825 -4.768 -1.148 1.00 0.00 N ATOM 1171 CA LEU C 78 84.266 -5.561 -0.006 1.00 0.00 C ATOM 1172 C LEU C 78 85.526 -6.346 -0.358 1.00 0.00 C ATOM 1173 O LEU C 78 86.401 -6.553 0.482 1.00 0.00 O ATOM 1174 CB LEU C 78 83.171 -6.538 0.422 1.00 0.00 C ATOM 1175 CG LEU C 78 81.987 -5.758 0.996 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.823 -6.715 1.261 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.407 -5.092 2.308 1.00 0.00 C ATOM 0 H LEU C 78 82.854 -4.917 -1.421 1.00 0.00 H new ATOM 0 HA LEU C 78 84.482 -4.878 0.816 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.848 -7.135 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.559 -7.232 1.168 1.00 0.00 H new ATOM 0 HG LEU C 78 81.674 -4.996 0.283 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.980 -6.158 1.670 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.524 -7.192 0.327 1.00 0.00 H new ATOM 0 HD13 LEU C 78 81.134 -7.478 1.975 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.565 -4.535 2.719 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.720 -5.856 3.020 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.236 -4.410 2.121 1.00 0.00 H new ATOM 1189 N VAL C 79 85.606 -6.781 -1.612 1.00 0.00 N ATOM 1190 CA VAL C 79 86.763 -7.546 -2.070 1.00 0.00 C ATOM 1191 C VAL C 79 88.048 -6.750 -1.854 1.00 0.00 C ATOM 1192 O VAL C 79 88.893 -7.118 -1.038 1.00 0.00 O ATOM 1193 CB VAL C 79 86.626 -7.886 -3.555 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.890 -8.601 -4.036 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.417 -8.803 -3.756 1.00 0.00 C ATOM 0 H VAL C 79 84.893 -6.620 -2.323 1.00 0.00 H new ATOM 0 HA VAL C 79 86.808 -8.469 -1.491 1.00 0.00 H new ATOM 0 HB VAL C 79 86.489 -6.968 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.791 -8.843 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.753 -7.951 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL C 79 88.028 -9.519 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL C 79 85.317 -9.047 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.557 -9.720 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.515 -8.296 -3.414 1.00 0.00 H new ATOM 1205 N MET C 80 88.188 -5.653 -2.593 1.00 0.00 N ATOM 1206 CA MET C 80 89.378 -4.813 -2.467 1.00 0.00 C ATOM 1207 C MET C 80 89.697 -4.563 -0.997 1.00 0.00 C ATOM 1208 O MET C 80 90.860 -4.483 -0.603 1.00 0.00 O ATOM 1209 CB MET C 80 89.166 -3.466 -3.162 1.00 0.00 C ATOM 1210 CG MET C 80 90.334 -2.534 -2.829 1.00 0.00 C ATOM 1211 SD MET C 80 90.574 -1.355 -4.182 1.00 0.00 S ATOM 1212 CE MET C 80 89.213 -0.239 -3.762 1.00 0.00 C ATOM 0 H MET C 80 87.504 -5.327 -3.276 1.00 0.00 H new ATOM 0 HA MET C 80 90.208 -5.337 -2.940 1.00 0.00 H new ATOM 0 HB2 MET C 80 89.095 -3.608 -4.240 1.00 0.00 H new ATOM 0 HB3 MET C 80 88.226 -3.020 -2.837 1.00 0.00 H new ATOM 0 HG2 MET C 80 90.134 -2.001 -1.900 1.00 0.00 H new ATOM 0 HG3 MET C 80 91.243 -3.115 -2.674 1.00 0.00 H new ATOM 0 HE1 MET C 80 88.616 -0.041 -4.653 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.585 -0.701 -3.000 1.00 0.00 H new ATOM 0 HE3 MET C 80 89.616 0.699 -3.380 1.00 0.00 H new ATOM 1222 N MET C 81 88.648 -4.438 -0.190 1.00 0.00 N ATOM 1223 CA MET C 81 88.824 -4.193 1.238 1.00 0.00 C ATOM 1224 C MET C 81 89.326 -5.453 1.934 1.00 0.00 C ATOM 1225 O MET C 81 90.347 -5.436 2.619 1.00 0.00 O ATOM 1226 CB MET C 81 87.502 -3.761 1.874 1.00 0.00 C ATOM 1227 CG MET C 81 86.909 -2.600 1.074 1.00 0.00 C ATOM 1228 SD MET C 81 87.770 -1.066 1.506 1.00 0.00 S ATOM 1229 CE MET C 81 89.037 -1.142 0.215 1.00 0.00 C ATOM 0 H MET C 81 87.677 -4.501 -0.496 1.00 0.00 H new ATOM 0 HA MET C 81 89.558 -3.396 1.357 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.804 -4.598 1.893 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.665 -3.459 2.908 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.004 -2.794 0.006 1.00 0.00 H new ATOM 0 HG3 MET C 81 85.844 -2.504 1.287 1.00 0.00 H new ATOM 0 HE1 MET C 81 89.115 -0.172 -0.276 1.00 0.00 H new ATOM 0 HE2 MET C 81 89.997 -1.400 0.662 1.00 0.00 H new ATOM 0 HE3 MET C 81 88.763 -1.900 -0.519 1.00 0.00 H new ATOM 1239 N VAL C 82 88.600 -6.549 1.747 1.00 0.00 N ATOM 1240 CA VAL C 82 88.986 -7.816 2.360 1.00 0.00 C ATOM 1241 C VAL C 82 90.320 -8.289 1.787 1.00 0.00 C ATOM 1242 O VAL C 82 91.056 -9.047 2.419 1.00 0.00 O ATOM 1243 CB VAL C 82 87.902 -8.876 2.109 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.104 -9.540 0.743 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.968 -9.941 3.206 1.00 0.00 C ATOM 0 H VAL C 82 87.751 -6.588 1.183 1.00 0.00 H new ATOM 0 HA VAL C 82 89.094 -7.669 3.435 1.00 0.00 H new ATOM 0 HB VAL C 82 86.927 -8.389 2.122 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.327 -10.288 0.583 1.00 0.00 H new ATOM 0 HG12 VAL C 82 88.047 -8.785 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.082 -10.021 0.713 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.200 -10.694 3.029 1.00 0.00 H new ATOM 0 HG22 VAL C 82 88.950 -10.415 3.194 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.802 -9.474 4.177 1.00 0.00 H new ATOM 1255 N ARG C 83 90.609 -7.831 0.575 1.00 0.00 N ATOM 1256 CA ARG C 83 91.847 -8.205 -0.106 1.00 0.00 C ATOM 1257 C ARG C 83 93.071 -7.651 0.622 1.00 0.00 C ATOM 1258 O ARG C 83 94.150 -8.241 0.579 1.00 0.00 O ATOM 1259 CB ARG C 83 91.847 -7.672 -1.540 1.00 0.00 C ATOM 1260 CG ARG C 83 92.271 -8.786 -2.500 1.00 0.00 C ATOM 1261 CD ARG C 83 91.964 -8.368 -3.939 1.00 0.00 C ATOM 1262 NE ARG C 83 92.624 -7.106 -4.263 1.00 0.00 N ATOM 1263 CZ ARG C 83 92.516 -6.567 -5.474 1.00 0.00 C ATOM 1264 NH1 ARG C 83 91.825 -7.175 -6.400 1.00 0.00 N ATOM 1265 NH2 ARG C 83 93.103 -5.432 -5.737 1.00 0.00 N ATOM 0 H ARG C 83 90.007 -7.202 0.043 1.00 0.00 H new ATOM 0 HA ARG C 83 91.899 -9.294 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.854 -7.309 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.529 -6.826 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.336 -8.990 -2.389 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.743 -9.709 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG C 83 92.297 -9.145 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG C 83 90.887 -8.265 -4.071 1.00 0.00 H new ATOM 0 HE ARG C 83 93.176 -6.631 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG C 83 91.368 -8.063 -6.195 1.00 0.00 H new ATOM 0 HH12 ARG C 83 91.742 -6.762 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.645 -4.958 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG C 83 93.020 -5.018 -6.666 1.00 0.00 H new ATOM 1279 N CYS C 84 92.901 -6.508 1.282 1.00 0.00 N ATOM 1280 CA CYS C 84 94.015 -5.891 2.001 1.00 0.00 C ATOM 1281 C CYS C 84 94.138 -6.462 3.411 1.00 0.00 C ATOM 1282 O CYS C 84 95.199 -6.394 4.032 1.00 0.00 O ATOM 1283 CB CYS C 84 93.833 -4.370 2.080 1.00 0.00 C ATOM 1284 SG CYS C 84 92.547 -3.962 3.289 1.00 0.00 S ATOM 0 H CYS C 84 92.020 -5.997 1.335 1.00 0.00 H new ATOM 0 HA CYS C 84 94.928 -6.114 1.449 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.773 -3.897 2.363 1.00 0.00 H new ATOM 0 HB3 CYS C 84 93.561 -3.977 1.101 1.00 0.00 H new ATOM 0 HG CYS C 84 91.438 -4.554 2.959 1.00 0.00 H new ATOM 1290 N MET C 85 93.043 -7.027 3.911 1.00 0.00 N ATOM 1291 CA MET C 85 93.044 -7.607 5.252 1.00 0.00 C ATOM 1292 C MET C 85 94.208 -8.581 5.414 1.00 0.00 C ATOM 1293 O MET C 85 94.767 -8.728 6.501 1.00 0.00 O ATOM 1294 CB MET C 85 91.734 -8.349 5.517 1.00 0.00 C ATOM 1295 CG MET C 85 90.557 -7.393 5.318 1.00 0.00 C ATOM 1296 SD MET C 85 90.675 -6.035 6.509 1.00 0.00 S ATOM 1297 CE MET C 85 89.499 -4.920 5.704 1.00 0.00 C ATOM 0 H MET C 85 92.154 -7.096 3.416 1.00 0.00 H new ATOM 0 HA MET C 85 93.151 -6.792 5.968 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.643 -9.200 4.842 1.00 0.00 H new ATOM 0 HB3 MET C 85 91.727 -8.745 6.533 1.00 0.00 H new ATOM 0 HG2 MET C 85 90.561 -7.001 4.301 1.00 0.00 H new ATOM 0 HG3 MET C 85 89.615 -7.926 5.450 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.131 -4.194 6.429 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.995 -4.397 4.886 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.662 -5.497 5.311 1.00 0.00 H new ATOM 1307 N LYS C 86 94.567 -9.246 4.319 1.00 0.00 N ATOM 1308 CA LYS C 86 95.666 -10.207 4.350 1.00 0.00 C ATOM 1309 C LYS C 86 96.990 -9.512 4.042 1.00 0.00 C ATOM 1310 O LYS C 86 97.886 -9.453 4.884 1.00 0.00 O ATOM 1311 CB LYS C 86 95.435 -11.320 3.326 1.00 0.00 C ATOM 1312 CG LYS C 86 94.900 -12.565 4.036 1.00 0.00 C ATOM 1313 CD LYS C 86 93.580 -12.996 3.393 1.00 0.00 C ATOM 1314 CE LYS C 86 93.676 -14.461 2.963 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.511 -14.564 1.733 1.00 0.00 N ATOM 0 H LYS C 86 94.119 -9.139 3.409 1.00 0.00 H new ATOM 0 HA LYS C 86 95.707 -10.639 5.350 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.726 -10.989 2.567 1.00 0.00 H new ATOM 0 HB3 LYS C 86 96.367 -11.554 2.811 1.00 0.00 H new ATOM 0 HG2 LYS C 86 95.628 -13.373 3.972 1.00 0.00 H new ATOM 0 HG3 LYS C 86 94.749 -12.355 5.095 1.00 0.00 H new ATOM 0 HD2 LYS C 86 92.760 -12.866 4.099 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.361 -12.366 2.531 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.113 -15.058 3.763 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.680 -14.862 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 94.577 -15.560 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 94.076 -14.007 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 95.464 -14.197 1.929 1.00 0.00 H new ATOM 1392 N ILE I 148 91.984 2.028 5.504 1.00 0.00 N ATOM 1393 CA ILE I 148 90.933 1.016 5.574 1.00 0.00 C ATOM 1394 C ILE I 148 90.538 0.756 7.025 1.00 0.00 C ATOM 1395 O ILE I 148 89.483 1.194 7.483 1.00 0.00 O ATOM 1396 CB ILE I 148 91.406 -0.294 4.944 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.789 -0.047 3.482 1.00 0.00 C ATOM 1398 CG2 ILE I 148 90.279 -1.326 5.006 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.620 0.616 2.751 1.00 0.00 C ATOM 0 HA ILE I 148 90.070 1.391 5.024 1.00 0.00 H new ATOM 0 HB ILE I 148 92.272 -0.668 5.490 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.672 0.590 3.429 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.046 -0.989 2.999 1.00 0.00 H new ATOM 0 HG21 ILE I 148 90.616 -2.260 4.557 1.00 0.00 H new ATOM 0 HG22 ILE I 148 90.004 -1.502 6.046 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.413 -0.952 4.460 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.894 0.791 1.711 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.748 -0.037 2.792 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.384 1.567 3.229 1.00 0.00 H new ATOM 1411 N SER I 149 91.399 0.038 7.741 1.00 0.00 N ATOM 1412 CA SER I 149 91.138 -0.280 9.143 1.00 0.00 C ATOM 1413 C SER I 149 89.686 -0.714 9.335 1.00 0.00 C ATOM 1414 O SER I 149 89.361 -1.897 9.232 1.00 0.00 O ATOM 1415 CB SER I 149 91.420 0.935 10.028 1.00 0.00 C ATOM 1416 OG SER I 149 90.608 0.868 11.193 1.00 0.00 O ATOM 0 H SER I 149 92.277 -0.333 7.378 1.00 0.00 H new ATOM 0 HA SER I 149 91.798 -1.098 9.430 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.474 0.960 10.306 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.214 1.854 9.480 1.00 0.00 H new ATOM 0 HG SER I 149 90.788 1.645 11.763 1.00 0.00 H new ATOM 1422 N ALA I 150 88.816 0.255 9.615 1.00 0.00 N ATOM 1423 CA ALA I 150 87.400 -0.042 9.818 1.00 0.00 C ATOM 1424 C ALA I 150 86.711 1.104 10.554 1.00 0.00 C ATOM 1425 O ALA I 150 85.668 1.599 10.125 1.00 0.00 O ATOM 1426 CB ALA I 150 87.233 -1.327 10.630 1.00 0.00 C ATOM 0 H ALA I 150 89.063 1.241 9.706 1.00 0.00 H new ATOM 0 HA ALA I 150 86.942 -0.170 8.837 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.172 -1.533 10.772 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.696 -2.157 10.096 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.712 -1.208 11.602 1.00 0.00 H new ATOM 1432 N ASP I 151 87.306 1.519 11.669 1.00 0.00 N ATOM 1433 CA ASP I 151 86.741 2.608 12.463 1.00 0.00 C ATOM 1434 C ASP I 151 86.907 3.944 11.742 1.00 0.00 C ATOM 1435 O ASP I 151 86.336 4.956 12.146 1.00 0.00 O ATOM 1436 CB ASP I 151 87.434 2.693 13.824 1.00 0.00 C ATOM 1437 CG ASP I 151 86.888 1.608 14.745 1.00 0.00 C ATOM 1438 OD1 ASP I 151 86.015 0.874 14.312 1.00 0.00 O ATOM 1439 OD2 ASP I 151 87.351 1.526 15.871 1.00 0.00 O ATOM 0 H ASP I 151 88.170 1.124 12.041 1.00 0.00 H new ATOM 0 HA ASP I 151 85.680 2.401 12.604 1.00 0.00 H new ATOM 0 HB2 ASP I 151 88.511 2.574 13.703 1.00 0.00 H new ATOM 0 HB3 ASP I 151 87.270 3.676 14.266 1.00 0.00 H new ATOM 1444 N ALA I 152 87.699 3.936 10.672 1.00 0.00 N ATOM 1445 CA ALA I 152 87.936 5.157 9.904 1.00 0.00 C ATOM 1446 C ALA I 152 86.647 5.633 9.240 1.00 0.00 C ATOM 1447 O ALA I 152 86.303 6.813 9.295 1.00 0.00 O ATOM 1448 CB ALA I 152 88.990 4.917 8.821 1.00 0.00 C ATOM 0 H ALA I 152 88.182 3.109 10.320 1.00 0.00 H new ATOM 0 HA ALA I 152 88.292 5.920 10.596 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.152 5.838 8.261 1.00 0.00 H new ATOM 0 HB2 ALA I 152 89.925 4.606 9.286 1.00 0.00 H new ATOM 0 HB3 ALA I 152 88.644 4.136 8.144 1.00 0.00 H new ATOM 1454 N MET I 153 85.943 4.701 8.605 1.00 0.00 N ATOM 1455 CA MET I 153 84.695 5.035 7.924 1.00 0.00 C ATOM 1456 C MET I 153 83.565 5.230 8.930 1.00 0.00 C ATOM 1457 O MET I 153 82.718 6.109 8.769 1.00 0.00 O ATOM 1458 CB MET I 153 84.305 3.924 6.948 1.00 0.00 C ATOM 1459 CG MET I 153 84.226 2.592 7.697 1.00 0.00 C ATOM 1460 SD MET I 153 83.609 1.310 6.579 1.00 0.00 S ATOM 1461 CE MET I 153 84.632 1.745 5.150 1.00 0.00 C ATOM 0 H MET I 153 86.211 3.718 8.547 1.00 0.00 H new ATOM 0 HA MET I 153 84.854 5.964 7.376 1.00 0.00 H new ATOM 0 HB2 MET I 153 83.344 4.151 6.486 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.037 3.858 6.143 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.210 2.316 8.076 1.00 0.00 H new ATOM 0 HG3 MET I 153 83.567 2.686 8.560 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.702 0.889 4.479 1.00 0.00 H new ATOM 0 HE2 MET I 153 84.180 2.584 4.621 1.00 0.00 H new ATOM 0 HE3 MET I 153 85.630 2.024 5.488 1.00 0.00 H new ATOM 1471 N MET I 154 83.560 4.399 9.969 1.00 0.00 N ATOM 1472 CA MET I 154 82.527 4.486 10.999 1.00 0.00 C ATOM 1473 C MET I 154 82.157 5.942 11.268 1.00 0.00 C ATOM 1474 O MET I 154 80.995 6.269 11.505 1.00 0.00 O ATOM 1475 CB MET I 154 83.013 3.847 12.301 1.00 0.00 C ATOM 1476 CG MET I 154 81.958 2.863 12.810 1.00 0.00 C ATOM 1477 SD MET I 154 80.779 3.738 13.868 1.00 0.00 S ATOM 1478 CE MET I 154 79.268 3.166 13.052 1.00 0.00 C ATOM 0 H MET I 154 84.252 3.665 10.120 1.00 0.00 H new ATOM 0 HA MET I 154 81.649 3.951 10.637 1.00 0.00 H new ATOM 0 HB2 MET I 154 83.958 3.330 12.134 1.00 0.00 H new ATOM 0 HB3 MET I 154 83.199 4.617 13.050 1.00 0.00 H new ATOM 0 HG2 MET I 154 81.438 2.404 11.969 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.435 2.057 13.368 1.00 0.00 H new ATOM 0 HE1 MET I 154 78.400 3.594 13.553 1.00 0.00 H new ATOM 0 HE2 MET I 154 79.276 3.481 12.009 1.00 0.00 H new ATOM 0 HE3 MET I 154 79.217 2.078 13.102 1.00 0.00 H new ATOM 1488 N GLN I 155 83.162 6.812 11.229 1.00 0.00 N ATOM 1489 CA GLN I 155 82.935 8.235 11.471 1.00 0.00 C ATOM 1490 C GLN I 155 81.837 8.765 10.554 1.00 0.00 C ATOM 1491 O GLN I 155 80.874 9.382 11.007 1.00 0.00 O ATOM 1492 CB GLN I 155 84.219 9.030 11.224 1.00 0.00 C ATOM 1493 CG GLN I 155 85.272 8.631 12.260 1.00 0.00 C ATOM 1494 CD GLN I 155 85.959 9.883 12.793 1.00 0.00 C ATOM 1495 OE1 GLN I 155 85.313 10.753 13.377 1.00 0.00 O ATOM 1496 NE2 GLN I 155 87.245 10.027 12.624 1.00 0.00 N ATOM 0 H GLN I 155 84.131 6.562 11.034 1.00 0.00 H new ATOM 0 HA GLN I 155 82.628 8.355 12.510 1.00 0.00 H new ATOM 0 HB2 GLN I 155 84.591 8.837 10.218 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.016 10.099 11.289 1.00 0.00 H new ATOM 0 HG2 GLN I 155 84.804 8.084 13.078 1.00 0.00 H new ATOM 0 HG3 GLN I 155 86.007 7.964 11.809 1.00 0.00 H new ATOM 0 HE21 GLN I 155 87.780 9.306 12.140 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.715 10.861 12.976 1.00 0.00 H new ATOM 1505 N ALA I 156 81.994 8.514 9.256 1.00 0.00 N ATOM 1506 CA ALA I 156 81.010 8.968 8.276 1.00 0.00 C ATOM 1507 C ALA I 156 79.678 8.253 8.479 1.00 0.00 C ATOM 1508 O ALA I 156 78.668 8.611 7.873 1.00 0.00 O ATOM 1509 CB ALA I 156 81.508 8.697 6.855 1.00 0.00 C ATOM 0 H ALA I 156 82.784 8.004 8.861 1.00 0.00 H new ATOM 0 HA ALA I 156 80.869 10.040 8.416 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.764 9.041 6.137 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.445 9.230 6.690 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.671 7.627 6.724 1.00 0.00 H new ATOM 1515 N LEU I 157 79.685 7.236 9.336 1.00 0.00 N ATOM 1516 CA LEU I 157 78.468 6.474 9.609 1.00 0.00 C ATOM 1517 C LEU I 157 78.135 6.519 11.098 1.00 0.00 C ATOM 1518 O LEU I 157 77.547 5.585 11.644 1.00 0.00 O ATOM 1519 CB LEU I 157 78.620 5.007 9.177 1.00 0.00 C ATOM 1520 CG LEU I 157 80.036 4.747 8.653 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.274 3.240 8.545 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.192 5.387 7.272 1.00 0.00 C ATOM 0 H LEU I 157 80.509 6.922 9.849 1.00 0.00 H new ATOM 0 HA LEU I 157 77.661 6.930 9.035 1.00 0.00 H new ATOM 0 HB2 LEU I 157 78.412 4.350 10.021 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.890 4.772 8.402 1.00 0.00 H new ATOM 0 HG LEU I 157 80.762 5.180 9.341 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.282 3.057 8.172 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.162 2.783 9.528 1.00 0.00 H new ATOM 0 HD13 LEU I 157 79.548 2.805 7.858 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.199 5.203 6.897 1.00 0.00 H new ATOM 0 HD22 LEU I 157 79.465 4.953 6.586 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.024 6.461 7.348 1.00 0.00 H new