USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 45 MET CE :methyl 155:sc= -0.838 (180deg=-2.49!) USER MOD Set 1.2: C 50 GLN : amide:sc= -0.313 K(o=-1.2,f=-3.4!) USER MOD Single : C 5 TYR OH : rot 180:sc= -0.692 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.379 K(o=-0.38,f=-3.5!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= -7.91! C(o=-7.9!,f=-9.5!) USER MOD Single : C 17 LYS NZ :NH3+ 177:sc= -0.0249 (180deg=-0.0305) USER MOD Single : C 18 ASN : amide:sc= -1.04 K(o=-1,f=-2.3) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -84:sc= 1.1 USER MOD Single : C 37 SER OG : rot 180:sc= 0.329 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 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 -147:sc= -4.85! (180deg=-7.28!) USER MOD Single : C 51 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.224! USER MOD Single : C 58 GLN : amide:sc= -2.95 K(o=-2.9,f=-7.3!) USER MOD Single : C 60 MET CE :methyl 179:sc= 0 (180deg=-0.000306) USER MOD Single : C 69 SER OG : rot 39:sc= 0.529 USER MOD Single : C 71 THR OG1 : rot -170:sc= -0.394 USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl -138:sc= -0.155 (180deg=-1.55) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 177:sc= -1.18 (180deg=-1.22) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -149:sc= -2.14 (180deg=-5.18!) USER MOD Single : I 154 MET CE :methyl -113:sc= -0.267 (180deg=-0.978) USER MOD Single : I 155 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 87.835 -15.697 -0.592 1.00 0.00 N ATOM 64 CA TYR C 5 87.382 -14.475 0.068 1.00 0.00 C ATOM 65 C TYR C 5 86.293 -14.790 1.088 1.00 0.00 C ATOM 66 O TYR C 5 86.378 -14.394 2.250 1.00 0.00 O ATOM 67 CB TYR C 5 86.830 -13.484 -0.959 1.00 0.00 C ATOM 68 CG TYR C 5 87.944 -13.034 -1.873 1.00 0.00 C ATOM 69 CD1 TYR C 5 88.783 -11.981 -1.488 1.00 0.00 C ATOM 70 CD2 TYR C 5 88.139 -13.670 -3.104 1.00 0.00 C ATOM 71 CE1 TYR C 5 89.817 -11.564 -2.335 1.00 0.00 C ATOM 72 CE2 TYR C 5 89.174 -13.253 -3.951 1.00 0.00 C ATOM 73 CZ TYR C 5 90.012 -12.201 -3.566 1.00 0.00 C ATOM 74 OH TYR C 5 91.031 -11.790 -4.401 1.00 0.00 O ATOM 0 HA TYR C 5 88.238 -14.032 0.577 1.00 0.00 H new ATOM 0 HB2 TYR C 5 86.035 -13.951 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR C 5 86.392 -12.625 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR C 5 88.632 -11.490 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR C 5 87.492 -14.482 -3.401 1.00 0.00 H new ATOM 0 HE1 TYR C 5 90.464 -10.751 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR C 5 89.325 -13.744 -4.901 1.00 0.00 H new ATOM 0 HH TYR C 5 91.029 -12.337 -5.214 1.00 0.00 H new ATOM 84 N LYS C 6 85.267 -15.509 0.640 1.00 0.00 N ATOM 85 CA LYS C 6 84.164 -15.875 1.525 1.00 0.00 C ATOM 86 C LYS C 6 84.698 -16.302 2.888 1.00 0.00 C ATOM 87 O LYS C 6 84.116 -15.987 3.926 1.00 0.00 O ATOM 88 CB LYS C 6 83.353 -17.025 0.925 1.00 0.00 C ATOM 89 CG LYS C 6 82.668 -16.554 -0.359 1.00 0.00 C ATOM 90 CD LYS C 6 81.686 -15.427 -0.030 1.00 0.00 C ATOM 91 CE LYS C 6 80.640 -15.320 -1.141 1.00 0.00 C ATOM 92 NZ LYS C 6 79.431 -14.623 -0.619 1.00 0.00 N ATOM 0 H LYS C 6 85.176 -15.846 -0.318 1.00 0.00 H new ATOM 0 HA LYS C 6 83.521 -15.002 1.641 1.00 0.00 H new ATOM 0 HB2 LYS C 6 84.006 -17.871 0.712 1.00 0.00 H new ATOM 0 HB3 LYS C 6 82.608 -17.370 1.641 1.00 0.00 H new ATOM 0 HG2 LYS C 6 83.413 -16.205 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS C 6 82.141 -17.385 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS C 6 81.199 -15.623 0.925 1.00 0.00 H new ATOM 0 HD3 LYS C 6 82.221 -14.483 0.072 1.00 0.00 H new ATOM 0 HE2 LYS C 6 81.050 -14.773 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS C 6 80.373 -16.314 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.719 -14.550 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.036 -15.162 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.692 -13.670 -0.296 1.00 0.00 H new ATOM 106 N ALA C 7 85.816 -17.023 2.872 1.00 0.00 N ATOM 107 CA ALA C 7 86.427 -17.489 4.113 1.00 0.00 C ATOM 108 C ALA C 7 86.966 -16.309 4.912 1.00 0.00 C ATOM 109 O ALA C 7 86.445 -15.970 5.975 1.00 0.00 O ATOM 110 CB ALA C 7 87.574 -18.457 3.818 1.00 0.00 C ATOM 0 H ALA C 7 86.313 -17.295 2.024 1.00 0.00 H new ATOM 0 HA ALA C 7 85.661 -18.004 4.693 1.00 0.00 H new ATOM 0 HB1 ALA C 7 88.017 -18.793 4.756 1.00 0.00 H new ATOM 0 HB2 ALA C 7 87.192 -19.317 3.268 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.332 -17.951 3.220 1.00 0.00 H new ATOM 116 N ALA C 8 88.015 -15.683 4.387 1.00 0.00 N ATOM 117 CA ALA C 8 88.616 -14.535 5.059 1.00 0.00 C ATOM 118 C ALA C 8 87.541 -13.513 5.411 1.00 0.00 C ATOM 119 O ALA C 8 87.705 -12.705 6.327 1.00 0.00 O ATOM 120 CB ALA C 8 89.660 -13.872 4.158 1.00 0.00 C ATOM 0 H ALA C 8 88.462 -15.947 3.509 1.00 0.00 H new ATOM 0 HA ALA C 8 89.100 -14.888 5.970 1.00 0.00 H new ATOM 0 HB1 ALA C 8 90.097 -13.018 4.675 1.00 0.00 H new ATOM 0 HB2 ALA C 8 90.443 -14.591 3.918 1.00 0.00 H new ATOM 0 HB3 ALA C 8 89.184 -13.534 3.238 1.00 0.00 H new ATOM 126 N VAL C 9 86.438 -13.561 4.671 1.00 0.00 N ATOM 127 CA VAL C 9 85.330 -12.639 4.905 1.00 0.00 C ATOM 128 C VAL C 9 84.386 -13.202 5.962 1.00 0.00 C ATOM 129 O VAL C 9 83.606 -12.470 6.571 1.00 0.00 O ATOM 130 CB VAL C 9 84.552 -12.401 3.608 1.00 0.00 C ATOM 131 CG1 VAL C 9 83.241 -11.674 3.916 1.00 0.00 C ATOM 132 CG2 VAL C 9 85.397 -11.545 2.661 1.00 0.00 C ATOM 0 H VAL C 9 86.287 -14.223 3.910 1.00 0.00 H new ATOM 0 HA VAL C 9 85.742 -11.693 5.257 1.00 0.00 H new ATOM 0 HB VAL C 9 84.330 -13.360 3.139 1.00 0.00 H new ATOM 0 HG11 VAL C 9 82.691 -11.507 2.990 1.00 0.00 H new ATOM 0 HG12 VAL C 9 82.638 -12.281 4.591 1.00 0.00 H new ATOM 0 HG13 VAL C 9 83.459 -10.715 4.387 1.00 0.00 H new ATOM 0 HG21 VAL C 9 84.846 -11.374 1.736 1.00 0.00 H new ATOM 0 HG22 VAL C 9 85.618 -10.588 3.135 1.00 0.00 H new ATOM 0 HG23 VAL C 9 86.330 -12.063 2.437 1.00 0.00 H new ATOM 142 N GLU C 10 84.471 -14.510 6.178 1.00 0.00 N ATOM 143 CA GLU C 10 83.623 -15.160 7.172 1.00 0.00 C ATOM 144 C GLU C 10 84.280 -15.068 8.541 1.00 0.00 C ATOM 145 O GLU C 10 83.611 -15.082 9.575 1.00 0.00 O ATOM 146 CB GLU C 10 83.402 -16.631 6.816 1.00 0.00 C ATOM 147 CG GLU C 10 82.267 -16.743 5.796 1.00 0.00 C ATOM 148 CD GLU C 10 80.960 -17.046 6.521 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.941 -16.937 7.736 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.998 -17.383 5.851 1.00 0.00 O ATOM 0 H GLU C 10 85.109 -15.135 5.686 1.00 0.00 H new ATOM 0 HA GLU C 10 82.658 -14.653 7.188 1.00 0.00 H new ATOM 0 HB2 GLU C 10 84.317 -17.059 6.406 1.00 0.00 H new ATOM 0 HB3 GLU C 10 83.157 -17.201 7.713 1.00 0.00 H new ATOM 0 HG2 GLU C 10 82.176 -15.814 5.233 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.487 -17.531 5.076 1.00 0.00 H new ATOM 157 N GLN C 11 85.604 -14.963 8.530 1.00 0.00 N ATOM 158 CA GLN C 11 86.364 -14.855 9.768 1.00 0.00 C ATOM 159 C GLN C 11 85.773 -13.764 10.649 1.00 0.00 C ATOM 160 O GLN C 11 85.594 -13.942 11.854 1.00 0.00 O ATOM 161 CB GLN C 11 87.819 -14.504 9.464 1.00 0.00 C ATOM 162 CG GLN C 11 88.491 -15.678 8.750 1.00 0.00 C ATOM 163 CD GLN C 11 89.388 -16.424 9.731 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.732 -15.899 10.790 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.793 -17.630 9.440 1.00 0.00 N ATOM 0 H GLN C 11 86.170 -14.950 7.682 1.00 0.00 H new ATOM 0 HA GLN C 11 86.317 -15.814 10.284 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.866 -13.611 8.841 1.00 0.00 H new ATOM 0 HB3 GLN C 11 88.349 -14.276 10.388 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.736 -16.352 8.346 1.00 0.00 H new ATOM 0 HG3 GLN C 11 89.079 -15.316 7.906 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.508 -18.066 8.563 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.394 -18.137 10.090 1.00 0.00 H new ATOM 174 N LEU C 12 85.478 -12.626 10.028 1.00 0.00 N ATOM 175 CA LEU C 12 84.910 -11.497 10.757 1.00 0.00 C ATOM 176 C LEU C 12 83.712 -11.944 11.588 1.00 0.00 C ATOM 177 O LEU C 12 83.130 -13.001 11.347 1.00 0.00 O ATOM 178 CB LEU C 12 84.464 -10.404 9.785 1.00 0.00 C ATOM 179 CG LEU C 12 85.609 -10.065 8.826 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.309 -8.739 8.127 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.919 -9.940 9.610 1.00 0.00 C ATOM 0 H LEU C 12 85.621 -12.462 9.032 1.00 0.00 H new ATOM 0 HA LEU C 12 85.681 -11.102 11.419 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.593 -10.738 9.222 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.164 -9.513 10.337 1.00 0.00 H new ATOM 0 HG LEU C 12 85.706 -10.858 8.084 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.123 -8.496 7.444 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.378 -8.826 7.566 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.212 -7.949 8.872 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.732 -9.699 8.925 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.824 -9.148 10.353 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.135 -10.884 10.111 1.00 0.00 H new ATOM 193 N THR C 13 83.349 -11.124 12.572 1.00 0.00 N ATOM 194 CA THR C 13 82.215 -11.443 13.435 1.00 0.00 C ATOM 195 C THR C 13 81.035 -10.527 13.127 1.00 0.00 C ATOM 196 O THR C 13 81.198 -9.448 12.560 1.00 0.00 O ATOM 197 CB THR C 13 82.598 -11.282 14.908 1.00 0.00 C ATOM 198 OG1 THR C 13 83.012 -9.944 15.144 1.00 0.00 O ATOM 199 CG2 THR C 13 83.741 -12.239 15.248 1.00 0.00 C ATOM 0 H THR C 13 83.817 -10.244 12.790 1.00 0.00 H new ATOM 0 HA THR C 13 81.931 -12.478 13.245 1.00 0.00 H new ATOM 0 HB THR C 13 81.737 -11.512 15.535 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.256 -9.839 16.087 1.00 0.00 H new ATOM 0 HG21 THR C 13 84.013 -12.123 16.297 1.00 0.00 H new ATOM 0 HG22 THR C 13 83.422 -13.265 15.067 1.00 0.00 H new ATOM 0 HG23 THR C 13 84.604 -12.012 14.623 1.00 0.00 H new ATOM 207 N GLU C 14 79.843 -10.975 13.509 1.00 0.00 N ATOM 208 CA GLU C 14 78.630 -10.197 13.274 1.00 0.00 C ATOM 209 C GLU C 14 78.860 -8.722 13.593 1.00 0.00 C ATOM 210 O GLU C 14 78.207 -7.842 13.032 1.00 0.00 O ATOM 211 CB GLU C 14 77.488 -10.718 14.149 1.00 0.00 C ATOM 212 CG GLU C 14 77.821 -10.465 15.621 1.00 0.00 C ATOM 213 CD GLU C 14 77.081 -11.474 16.491 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.917 -11.241 16.774 1.00 0.00 O ATOM 215 OE2 GLU C 14 77.688 -12.465 16.862 1.00 0.00 O ATOM 0 H GLU C 14 79.691 -11.867 13.980 1.00 0.00 H new ATOM 0 HA GLU C 14 78.367 -10.301 12.221 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.556 -10.219 13.885 1.00 0.00 H new ATOM 0 HB3 GLU C 14 77.340 -11.784 13.976 1.00 0.00 H new ATOM 0 HG2 GLU C 14 78.896 -10.550 15.781 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.536 -9.451 15.900 1.00 0.00 H new ATOM 222 N GLU C 15 79.789 -8.462 14.507 1.00 0.00 N ATOM 223 CA GLU C 15 80.091 -7.088 14.903 1.00 0.00 C ATOM 224 C GLU C 15 80.594 -6.277 13.711 1.00 0.00 C ATOM 225 O GLU C 15 79.873 -5.444 13.162 1.00 0.00 O ATOM 226 CB GLU C 15 81.149 -7.069 16.009 1.00 0.00 C ATOM 227 CG GLU C 15 80.725 -8.014 17.136 1.00 0.00 C ATOM 228 CD GLU C 15 80.968 -7.341 18.482 1.00 0.00 C ATOM 229 OE1 GLU C 15 80.174 -6.490 18.849 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.944 -7.687 19.127 1.00 0.00 O ATOM 0 H GLU C 15 80.341 -9.175 14.984 1.00 0.00 H new ATOM 0 HA GLU C 15 79.170 -6.639 15.275 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.115 -7.374 15.608 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.269 -6.057 16.395 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.671 -8.272 17.031 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.289 -8.945 17.076 1.00 0.00 H new ATOM 237 N GLN C 16 81.840 -6.525 13.317 1.00 0.00 N ATOM 238 CA GLN C 16 82.425 -5.805 12.190 1.00 0.00 C ATOM 239 C GLN C 16 81.480 -5.863 10.989 1.00 0.00 C ATOM 240 O GLN C 16 81.308 -4.882 10.265 1.00 0.00 O ATOM 241 CB GLN C 16 83.814 -6.397 11.849 1.00 0.00 C ATOM 242 CG GLN C 16 83.853 -7.014 10.442 1.00 0.00 C ATOM 243 CD GLN C 16 84.078 -5.917 9.407 1.00 0.00 C ATOM 244 OE1 GLN C 16 83.124 -5.339 8.889 1.00 0.00 O ATOM 245 NE2 GLN C 16 85.297 -5.593 9.072 1.00 0.00 N ATOM 0 H GLN C 16 82.457 -7.209 13.754 1.00 0.00 H new ATOM 0 HA GLN C 16 82.564 -4.758 12.458 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.569 -5.614 11.921 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.073 -7.158 12.585 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.651 -7.754 10.381 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.918 -7.535 10.237 1.00 0.00 H new ATOM 0 HE21 GLN C 16 86.088 -6.072 9.501 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.458 -4.861 8.381 1.00 0.00 H new ATOM 254 N LYS C 17 80.869 -7.027 10.795 1.00 0.00 N ATOM 255 CA LYS C 17 79.939 -7.217 9.686 1.00 0.00 C ATOM 256 C LYS C 17 78.884 -6.115 9.676 1.00 0.00 C ATOM 257 O LYS C 17 78.258 -5.845 8.651 1.00 0.00 O ATOM 258 CB LYS C 17 79.240 -8.573 9.804 1.00 0.00 C ATOM 259 CG LYS C 17 80.271 -9.693 9.651 1.00 0.00 C ATOM 260 CD LYS C 17 80.858 -9.653 8.239 1.00 0.00 C ATOM 261 CE LYS C 17 80.430 -10.904 7.470 1.00 0.00 C ATOM 262 NZ LYS C 17 80.956 -10.835 6.078 1.00 0.00 N ATOM 0 H LYS C 17 80.999 -7.848 11.386 1.00 0.00 H new ATOM 0 HA LYS C 17 80.510 -7.179 8.758 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.740 -8.654 10.769 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.470 -8.665 9.038 1.00 0.00 H new ATOM 0 HG2 LYS C 17 81.064 -9.576 10.390 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.804 -10.660 9.835 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.517 -8.759 7.718 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.946 -9.598 8.288 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.807 -11.797 7.969 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.343 -10.981 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 80.709 -11.708 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 80.537 -10.019 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 81.990 -10.730 6.103 1.00 0.00 H new ATOM 276 N ASN C 18 78.693 -5.483 10.831 1.00 0.00 N ATOM 277 CA ASN C 18 77.707 -4.411 10.947 1.00 0.00 C ATOM 278 C ASN C 18 78.316 -3.074 10.536 1.00 0.00 C ATOM 279 O ASN C 18 77.951 -2.500 9.509 1.00 0.00 O ATOM 280 CB ASN C 18 77.198 -4.307 12.386 1.00 0.00 C ATOM 281 CG ASN C 18 76.507 -5.610 12.775 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.025 -6.345 11.913 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.431 -5.943 14.034 1.00 0.00 N ATOM 0 H ASN C 18 79.201 -5.691 11.691 1.00 0.00 H new ATOM 0 HA ASN C 18 76.875 -4.647 10.283 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.028 -4.107 13.063 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.503 -3.472 12.478 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.972 -6.813 14.305 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.831 -5.334 14.748 1.00 0.00 H new ATOM 290 N GLU C 19 79.247 -2.584 11.350 1.00 0.00 N ATOM 291 CA GLU C 19 79.902 -1.310 11.062 1.00 0.00 C ATOM 292 C GLU C 19 80.148 -1.162 9.564 1.00 0.00 C ATOM 293 O GLU C 19 79.970 -0.087 8.993 1.00 0.00 O ATOM 294 CB GLU C 19 81.241 -1.215 11.798 1.00 0.00 C ATOM 295 CG GLU C 19 82.024 -2.514 11.607 1.00 0.00 C ATOM 296 CD GLU C 19 83.350 -2.423 12.355 1.00 0.00 C ATOM 297 OE1 GLU C 19 83.316 -2.226 13.558 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.379 -2.551 11.713 1.00 0.00 O ATOM 0 H GLU C 19 79.563 -3.043 12.205 1.00 0.00 H new ATOM 0 HA GLU C 19 79.243 -0.511 11.403 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.818 -0.372 11.418 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.072 -1.033 12.859 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.443 -3.359 11.977 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.204 -2.690 10.546 1.00 0.00 H new ATOM 305 N PHE C 20 80.564 -2.258 8.936 1.00 0.00 N ATOM 306 CA PHE C 20 80.838 -2.247 7.501 1.00 0.00 C ATOM 307 C PHE C 20 79.646 -1.689 6.727 1.00 0.00 C ATOM 308 O PHE C 20 79.760 -0.687 6.022 1.00 0.00 O ATOM 309 CB PHE C 20 81.132 -3.665 7.004 1.00 0.00 C ATOM 310 CG PHE C 20 82.445 -3.685 6.258 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.861 -2.558 5.538 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.246 -4.832 6.286 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.078 -2.579 4.847 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.463 -4.853 5.595 1.00 0.00 C ATOM 315 CZ PHE C 20 84.880 -3.727 4.876 1.00 0.00 C ATOM 0 H PHE C 20 80.718 -3.157 9.392 1.00 0.00 H new ATOM 0 HA PHE C 20 81.707 -1.611 7.332 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.172 -4.354 7.847 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.328 -4.005 6.352 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.243 -1.673 5.516 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.925 -5.701 6.841 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.399 -1.710 4.291 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.081 -5.739 5.617 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.820 -3.743 4.344 1.00 0.00 H new ATOM 325 N LYS C 21 78.503 -2.355 6.863 1.00 0.00 N ATOM 326 CA LYS C 21 77.292 -1.926 6.167 1.00 0.00 C ATOM 327 C LYS C 21 77.103 -0.415 6.284 1.00 0.00 C ATOM 328 O LYS C 21 76.489 0.215 5.423 1.00 0.00 O ATOM 329 CB LYS C 21 76.067 -2.636 6.747 1.00 0.00 C ATOM 330 CG LYS C 21 76.350 -4.137 6.843 1.00 0.00 C ATOM 331 CD LYS C 21 75.081 -4.921 6.500 1.00 0.00 C ATOM 332 CE LYS C 21 74.430 -5.428 7.788 1.00 0.00 C ATOM 333 NZ LYS C 21 74.026 -6.852 7.615 1.00 0.00 N ATOM 0 H LYS C 21 78.389 -3.186 7.443 1.00 0.00 H new ATOM 0 HA LYS C 21 77.400 -2.188 5.114 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.833 -2.235 7.733 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.197 -2.458 6.116 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.154 -4.410 6.160 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.686 -4.391 7.849 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.384 -4.285 5.954 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.324 -5.760 5.848 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.127 -5.336 8.621 1.00 0.00 H new ATOM 0 HE3 LYS C 21 73.559 -4.819 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 73.583 -7.196 8.491 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.347 -6.927 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 74.866 -7.428 7.402 1.00 0.00 H new ATOM 347 N ALA C 22 77.642 0.161 7.356 1.00 0.00 N ATOM 348 CA ALA C 22 77.529 1.603 7.571 1.00 0.00 C ATOM 349 C ALA C 22 78.089 2.362 6.374 1.00 0.00 C ATOM 350 O ALA C 22 77.351 3.005 5.628 1.00 0.00 O ATOM 351 CB ALA C 22 78.290 2.019 8.831 1.00 0.00 C ATOM 0 H ALA C 22 78.155 -0.340 8.081 1.00 0.00 H new ATOM 0 HA ALA C 22 76.473 1.845 7.693 1.00 0.00 H new ATOM 0 HB1 ALA C 22 78.195 3.095 8.975 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.875 1.499 9.695 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.343 1.759 8.722 1.00 0.00 H new ATOM 357 N ALA C 23 79.403 2.276 6.193 1.00 0.00 N ATOM 358 CA ALA C 23 80.048 2.958 5.075 1.00 0.00 C ATOM 359 C ALA C 23 79.279 2.690 3.788 1.00 0.00 C ATOM 360 O ALA C 23 79.262 3.513 2.873 1.00 0.00 O ATOM 361 CB ALA C 23 81.487 2.471 4.905 1.00 0.00 C ATOM 0 H ALA C 23 80.035 1.749 6.796 1.00 0.00 H new ATOM 0 HA ALA C 23 80.054 4.027 5.287 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.951 2.991 4.067 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.050 2.676 5.815 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.488 1.398 4.711 1.00 0.00 H new ATOM 367 N PHE C 24 78.638 1.525 3.731 1.00 0.00 N ATOM 368 CA PHE C 24 77.862 1.151 2.554 1.00 0.00 C ATOM 369 C PHE C 24 76.747 2.160 2.317 1.00 0.00 C ATOM 370 O PHE C 24 76.298 2.359 1.189 1.00 0.00 O ATOM 371 CB PHE C 24 77.249 -0.238 2.732 1.00 0.00 C ATOM 372 CG PHE C 24 77.862 -1.186 1.731 1.00 0.00 C ATOM 373 CD1 PHE C 24 77.996 -0.797 0.392 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.296 -2.452 2.140 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.566 -1.675 -0.537 1.00 0.00 C ATOM 376 CE2 PHE C 24 78.866 -3.330 1.210 1.00 0.00 C ATOM 377 CZ PHE C 24 79.000 -2.942 -0.129 1.00 0.00 C ATOM 0 H PHE C 24 78.641 0.831 4.478 1.00 0.00 H new ATOM 0 HA PHE C 24 78.534 1.139 1.696 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.424 -0.598 3.746 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.169 -0.192 2.592 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.660 0.180 0.077 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.191 -2.752 3.172 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.671 -1.375 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.202 -4.307 1.525 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.438 -3.620 -0.847 1.00 0.00 H new ATOM 387 N ASP C 25 76.310 2.798 3.397 1.00 0.00 N ATOM 388 CA ASP C 25 75.249 3.794 3.302 1.00 0.00 C ATOM 389 C ASP C 25 75.814 5.105 2.770 1.00 0.00 C ATOM 390 O ASP C 25 75.081 5.960 2.276 1.00 0.00 O ATOM 391 CB ASP C 25 74.618 4.039 4.673 1.00 0.00 C ATOM 392 CG ASP C 25 73.303 3.275 4.770 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.540 3.326 3.819 1.00 0.00 O ATOM 394 OD2 ASP C 25 73.077 2.649 5.793 1.00 0.00 O ATOM 0 H ASP C 25 76.669 2.646 4.339 1.00 0.00 H new ATOM 0 HA ASP C 25 74.486 3.418 2.620 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.298 3.716 5.461 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.444 5.105 4.820 1.00 0.00 H new ATOM 399 N ILE C 26 77.133 5.249 2.877 1.00 0.00 N ATOM 400 CA ILE C 26 77.802 6.456 2.403 1.00 0.00 C ATOM 401 C ILE C 26 78.488 6.192 1.065 1.00 0.00 C ATOM 402 O ILE C 26 78.552 7.067 0.202 1.00 0.00 O ATOM 403 CB ILE C 26 78.843 6.923 3.420 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.138 7.313 4.721 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.590 8.138 2.866 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.747 6.052 5.495 1.00 0.00 C ATOM 0 H ILE C 26 77.755 4.550 3.284 1.00 0.00 H new ATOM 0 HA ILE C 26 77.049 7.234 2.276 1.00 0.00 H new ATOM 0 HB ILE C 26 79.551 6.117 3.612 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.795 7.935 5.329 1.00 0.00 H new ATOM 0 HG13 ILE C 26 77.250 7.906 4.501 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.332 8.471 3.592 1.00 0.00 H new ATOM 0 HG22 ILE C 26 80.089 7.866 1.936 1.00 0.00 H new ATOM 0 HG23 ILE C 26 78.882 8.945 2.675 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.245 6.334 6.421 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.074 5.446 4.888 1.00 0.00 H new ATOM 0 HD13 ILE C 26 78.643 5.476 5.729 1.00 0.00 H new ATOM 418 N PHE C 27 78.995 4.972 0.898 1.00 0.00 N ATOM 419 CA PHE C 27 79.666 4.606 -0.347 1.00 0.00 C ATOM 420 C PHE C 27 78.696 4.755 -1.512 1.00 0.00 C ATOM 421 O PHE C 27 78.955 5.487 -2.468 1.00 0.00 O ATOM 422 CB PHE C 27 80.165 3.161 -0.291 1.00 0.00 C ATOM 423 CG PHE C 27 81.542 3.130 0.328 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.610 3.775 -0.308 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.751 2.455 1.537 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.886 3.747 0.266 1.00 0.00 C ATOM 427 CE2 PHE C 27 83.028 2.427 2.110 1.00 0.00 C ATOM 428 CZ PHE C 27 84.095 3.073 1.475 1.00 0.00 C ATOM 0 H PHE C 27 78.955 4.231 1.597 1.00 0.00 H new ATOM 0 HA PHE C 27 80.521 5.268 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.478 2.550 0.294 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.195 2.736 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE C 27 82.449 4.294 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.928 1.956 2.027 1.00 0.00 H new ATOM 0 HE1 PHE C 27 84.709 4.245 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE C 27 83.190 1.907 3.042 1.00 0.00 H new ATOM 0 HZ PHE C 27 85.080 3.051 1.918 1.00 0.00 H new ATOM 438 N VAL C 28 77.565 4.066 -1.408 1.00 0.00 N ATOM 439 CA VAL C 28 76.542 4.137 -2.444 1.00 0.00 C ATOM 440 C VAL C 28 75.437 5.093 -2.006 1.00 0.00 C ATOM 441 O VAL C 28 74.346 5.111 -2.576 1.00 0.00 O ATOM 442 CB VAL C 28 75.936 2.756 -2.702 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.058 1.731 -2.875 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.058 2.354 -1.514 1.00 0.00 C ATOM 0 H VAL C 28 77.335 3.457 -0.623 1.00 0.00 H new ATOM 0 HA VAL C 28 77.006 4.497 -3.363 1.00 0.00 H new ATOM 0 HB VAL C 28 75.330 2.789 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.627 0.747 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.684 2.016 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.664 1.698 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL C 28 74.626 1.370 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL C 28 75.664 2.321 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.258 3.084 -1.389 1.00 0.00 H new ATOM 454 N LEU C 29 75.738 5.887 -0.979 1.00 0.00 N ATOM 455 CA LEU C 29 74.773 6.845 -0.455 1.00 0.00 C ATOM 456 C LEU C 29 73.999 7.490 -1.608 1.00 0.00 C ATOM 457 O LEU C 29 74.572 8.158 -2.467 1.00 0.00 O ATOM 458 CB LEU C 29 75.505 7.901 0.413 1.00 0.00 C ATOM 459 CG LEU C 29 75.337 9.329 -0.133 1.00 0.00 C ATOM 460 CD1 LEU C 29 75.612 10.333 0.988 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.336 9.561 -1.270 1.00 0.00 C ATOM 0 H LEU C 29 76.637 5.884 -0.498 1.00 0.00 H new ATOM 0 HA LEU C 29 74.050 6.334 0.181 1.00 0.00 H new ATOM 0 HB2 LEU C 29 75.122 7.858 1.433 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.566 7.656 0.460 1.00 0.00 H new ATOM 0 HG LEU C 29 74.321 9.459 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU C 29 75.494 11.347 0.605 1.00 0.00 H new ATOM 0 HD12 LEU C 29 74.908 10.169 1.804 1.00 0.00 H new ATOM 0 HD13 LEU C 29 76.630 10.200 1.354 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.218 10.573 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU C 29 77.351 9.433 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.151 8.843 -2.069 1.00 0.00 H new ATOM 473 N GLY C 30 72.686 7.274 -1.614 1.00 0.00 N ATOM 474 CA GLY C 30 71.837 7.833 -2.662 1.00 0.00 C ATOM 475 C GLY C 30 72.120 7.167 -4.006 1.00 0.00 C ATOM 476 O GLY C 30 72.228 7.835 -5.034 1.00 0.00 O ATOM 0 H GLY C 30 72.191 6.722 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.788 7.696 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.009 8.907 -2.740 1.00 0.00 H new ATOM 480 N ALA C 31 72.236 5.842 -3.986 1.00 0.00 N ATOM 481 CA ALA C 31 72.505 5.091 -5.211 1.00 0.00 C ATOM 482 C ALA C 31 71.240 4.391 -5.696 1.00 0.00 C ATOM 483 O ALA C 31 70.157 4.577 -5.142 1.00 0.00 O ATOM 484 CB ALA C 31 73.592 4.043 -4.971 1.00 0.00 C ATOM 0 H ALA C 31 72.149 5.270 -3.146 1.00 0.00 H new ATOM 0 HA ALA C 31 72.844 5.797 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA C 31 73.778 3.494 -5.894 1.00 0.00 H new ATOM 0 HB2 ALA C 31 74.509 4.537 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA C 31 73.264 3.350 -4.197 1.00 0.00 H new ATOM 490 N GLU C 32 71.394 3.584 -6.740 1.00 0.00 N ATOM 491 CA GLU C 32 70.262 2.855 -7.303 1.00 0.00 C ATOM 492 C GLU C 32 70.174 1.460 -6.690 1.00 0.00 C ATOM 493 O GLU C 32 69.153 1.081 -6.118 1.00 0.00 O ATOM 494 CB GLU C 32 70.414 2.731 -8.819 1.00 0.00 C ATOM 495 CG GLU C 32 69.032 2.629 -9.467 1.00 0.00 C ATOM 496 CD GLU C 32 68.335 1.361 -8.985 1.00 0.00 C ATOM 497 OE1 GLU C 32 68.827 0.287 -9.290 1.00 0.00 O ATOM 498 OE2 GLU C 32 67.320 1.483 -8.320 1.00 0.00 O ATOM 0 H GLU C 32 72.284 3.418 -7.211 1.00 0.00 H new ATOM 0 HA GLU C 32 69.351 3.408 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU C 32 70.948 3.595 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.008 1.850 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.434 3.504 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.128 2.613 -10.553 1.00 0.00 H new ATOM 505 N ASP C 33 71.262 0.704 -6.813 1.00 0.00 N ATOM 506 CA ASP C 33 71.304 -0.649 -6.264 1.00 0.00 C ATOM 507 C ASP C 33 72.225 -0.698 -5.048 1.00 0.00 C ATOM 508 O ASP C 33 71.772 -0.855 -3.914 1.00 0.00 O ATOM 509 CB ASP C 33 71.805 -1.652 -7.310 1.00 0.00 C ATOM 510 CG ASP C 33 72.626 -0.930 -8.376 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.032 -0.234 -9.183 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.836 -1.084 -8.369 1.00 0.00 O ATOM 0 H ASP C 33 72.118 1.001 -7.282 1.00 0.00 H new ATOM 0 HA ASP C 33 70.290 -0.919 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.413 -2.419 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.959 -2.160 -7.773 1.00 0.00 H new ATOM 517 N GLY C 34 73.524 -0.559 -5.297 1.00 0.00 N ATOM 518 CA GLY C 34 74.504 -0.586 -4.215 1.00 0.00 C ATOM 519 C GLY C 34 75.922 -0.602 -4.775 1.00 0.00 C ATOM 520 O GLY C 34 76.754 -1.416 -4.375 1.00 0.00 O ATOM 0 H GLY C 34 73.920 -0.428 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.370 0.286 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.343 -1.467 -3.593 1.00 0.00 H new ATOM 524 N CYS C 35 76.185 0.308 -5.709 1.00 0.00 N ATOM 525 CA CYS C 35 77.505 0.392 -6.325 1.00 0.00 C ATOM 526 C CYS C 35 78.122 1.766 -6.081 1.00 0.00 C ATOM 527 O CYS C 35 77.416 2.769 -5.967 1.00 0.00 O ATOM 528 CB CYS C 35 77.413 0.143 -7.831 1.00 0.00 C ATOM 529 SG CYS C 35 75.870 0.840 -8.472 1.00 0.00 S ATOM 0 H CYS C 35 75.509 0.991 -6.053 1.00 0.00 H new ATOM 0 HA CYS C 35 78.135 -0.373 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS C 35 78.266 0.596 -8.337 1.00 0.00 H new ATOM 0 HB3 CYS C 35 77.453 -0.927 -8.035 1.00 0.00 H new ATOM 0 HG CYS C 35 74.905 -0.015 -8.305 1.00 0.00 H new ATOM 535 N ILE C 36 79.449 1.800 -6.000 1.00 0.00 N ATOM 536 CA ILE C 36 80.157 3.056 -5.766 1.00 0.00 C ATOM 537 C ILE C 36 80.843 3.531 -7.043 1.00 0.00 C ATOM 538 O ILE C 36 81.290 2.728 -7.862 1.00 0.00 O ATOM 539 CB ILE C 36 81.214 2.884 -4.674 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.755 1.814 -3.679 1.00 0.00 C ATOM 541 CG2 ILE C 36 81.408 4.212 -3.939 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.844 1.595 -2.628 1.00 0.00 C ATOM 0 H ILE C 36 80.051 0.982 -6.092 1.00 0.00 H new ATOM 0 HA ILE C 36 79.422 3.796 -5.449 1.00 0.00 H new ATOM 0 HB ILE C 36 82.156 2.577 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE C 36 79.827 2.124 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.547 0.881 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.161 4.090 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE C 36 81.736 4.974 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE C 36 80.465 4.519 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.518 0.834 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.761 1.267 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.030 2.529 -2.097 1.00 0.00 H new ATOM 554 N SER C 37 80.923 4.848 -7.198 1.00 0.00 N ATOM 555 CA SER C 37 81.561 5.432 -8.374 1.00 0.00 C ATOM 556 C SER C 37 82.631 6.430 -7.947 1.00 0.00 C ATOM 557 O SER C 37 82.737 6.782 -6.772 1.00 0.00 O ATOM 558 CB SER C 37 80.527 6.145 -9.246 1.00 0.00 C ATOM 559 OG SER C 37 80.002 7.260 -8.537 1.00 0.00 O ATOM 0 H SER C 37 80.558 5.527 -6.531 1.00 0.00 H new ATOM 0 HA SER C 37 82.020 4.628 -8.949 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.986 6.476 -10.178 1.00 0.00 H new ATOM 0 HB3 SER C 37 79.724 5.458 -9.513 1.00 0.00 H new ATOM 0 HG SER C 37 79.340 7.720 -9.094 1.00 0.00 H new ATOM 565 N THR C 38 83.425 6.885 -8.912 1.00 0.00 N ATOM 566 CA THR C 38 84.484 7.846 -8.614 1.00 0.00 C ATOM 567 C THR C 38 83.907 9.037 -7.858 1.00 0.00 C ATOM 568 O THR C 38 84.592 9.683 -7.065 1.00 0.00 O ATOM 569 CB THR C 38 85.147 8.348 -9.900 1.00 0.00 C ATOM 570 OG1 THR C 38 84.370 9.401 -10.453 1.00 0.00 O ATOM 571 CG2 THR C 38 85.249 7.203 -10.908 1.00 0.00 C ATOM 0 H THR C 38 83.358 6.610 -9.892 1.00 0.00 H new ATOM 0 HA THR C 38 85.233 7.342 -8.003 1.00 0.00 H new ATOM 0 HB THR C 38 86.147 8.716 -9.671 1.00 0.00 H new ATOM 0 HG1 THR C 38 84.795 9.724 -11.275 1.00 0.00 H new ATOM 0 HG21 THR C 38 85.721 7.564 -11.822 1.00 0.00 H new ATOM 0 HG22 THR C 38 85.848 6.397 -10.484 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.251 6.831 -11.138 1.00 0.00 H new ATOM 579 N LYS C 39 82.633 9.316 -8.116 1.00 0.00 N ATOM 580 CA LYS C 39 81.956 10.430 -7.459 1.00 0.00 C ATOM 581 C LYS C 39 81.389 9.991 -6.112 1.00 0.00 C ATOM 582 O LYS C 39 81.810 10.468 -5.059 1.00 0.00 O ATOM 583 CB LYS C 39 80.817 10.954 -8.334 1.00 0.00 C ATOM 584 CG LYS C 39 81.397 11.758 -9.499 1.00 0.00 C ATOM 585 CD LYS C 39 80.890 13.199 -9.428 1.00 0.00 C ATOM 586 CE LYS C 39 81.589 13.930 -8.281 1.00 0.00 C ATOM 587 NZ LYS C 39 82.667 14.799 -8.832 1.00 0.00 N ATOM 0 H LYS C 39 82.052 8.791 -8.770 1.00 0.00 H new ATOM 0 HA LYS C 39 82.687 11.223 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS C 39 80.223 10.122 -8.712 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.149 11.580 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.486 11.742 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS C 39 81.106 11.306 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.083 13.711 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS C 39 79.811 13.209 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS C 39 80.869 14.532 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.010 13.210 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 83.144 15.297 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.358 14.213 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 82.253 15.494 -9.485 1.00 0.00 H new ATOM 601 N GLU C 40 80.426 9.074 -6.159 1.00 0.00 N ATOM 602 CA GLU C 40 79.804 8.574 -4.936 1.00 0.00 C ATOM 603 C GLU C 40 80.868 8.268 -3.886 1.00 0.00 C ATOM 604 O GLU C 40 80.609 8.319 -2.684 1.00 0.00 O ATOM 605 CB GLU C 40 79.002 7.302 -5.221 1.00 0.00 C ATOM 606 CG GLU C 40 77.523 7.656 -5.385 1.00 0.00 C ATOM 607 CD GLU C 40 77.141 7.576 -6.858 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.311 6.515 -7.437 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.684 8.576 -7.387 1.00 0.00 O ATOM 0 H GLU C 40 80.063 8.666 -7.020 1.00 0.00 H new ATOM 0 HA GLU C 40 79.133 9.346 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.374 6.820 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.128 6.590 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU C 40 76.908 6.972 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU C 40 77.334 8.659 -5.003 1.00 0.00 H new ATOM 616 N LEU C 41 82.070 7.950 -4.357 1.00 0.00 N ATOM 617 CA LEU C 41 83.174 7.637 -3.454 1.00 0.00 C ATOM 618 C LEU C 41 83.737 8.917 -2.842 1.00 0.00 C ATOM 619 O LEU C 41 83.798 9.063 -1.622 1.00 0.00 O ATOM 620 CB LEU C 41 84.288 6.904 -4.208 1.00 0.00 C ATOM 621 CG LEU C 41 85.552 6.856 -3.347 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.236 6.186 -2.009 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.632 6.054 -4.075 1.00 0.00 C ATOM 0 H LEU C 41 82.304 7.902 -5.349 1.00 0.00 H new ATOM 0 HA LEU C 41 82.794 6.994 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU C 41 83.967 5.892 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU C 41 84.497 7.412 -5.150 1.00 0.00 H new ATOM 0 HG LEU C 41 85.908 7.871 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU C 41 86.137 6.153 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.466 6.756 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.879 5.171 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.533 6.019 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.274 5.040 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU C 41 86.859 6.531 -5.028 1.00 0.00 H new ATOM 635 N GLY C 42 84.146 9.842 -3.706 1.00 0.00 N ATOM 636 CA GLY C 42 84.702 11.109 -3.241 1.00 0.00 C ATOM 637 C GLY C 42 83.911 11.640 -2.051 1.00 0.00 C ATOM 638 O GLY C 42 84.481 12.131 -1.077 1.00 0.00 O ATOM 0 H GLY C 42 84.104 9.741 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY C 42 85.746 10.972 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY C 42 84.684 11.839 -4.051 1.00 0.00 H new ATOM 642 N LYS C 43 82.588 11.535 -2.141 1.00 0.00 N ATOM 643 CA LYS C 43 81.721 12.008 -1.065 1.00 0.00 C ATOM 644 C LYS C 43 82.154 11.409 0.270 1.00 0.00 C ATOM 645 O LYS C 43 82.422 12.129 1.232 1.00 0.00 O ATOM 646 CB LYS C 43 80.266 11.619 -1.336 1.00 0.00 C ATOM 647 CG LYS C 43 79.799 12.267 -2.641 1.00 0.00 C ATOM 648 CD LYS C 43 78.312 12.609 -2.537 1.00 0.00 C ATOM 649 CE LYS C 43 78.139 14.128 -2.507 1.00 0.00 C ATOM 650 NZ LYS C 43 78.571 14.651 -1.180 1.00 0.00 N ATOM 0 H LYS C 43 82.097 11.131 -2.938 1.00 0.00 H new ATOM 0 HA LYS C 43 81.803 13.094 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.175 10.535 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS C 43 79.632 11.942 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.378 13.169 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.970 11.589 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS C 43 77.771 12.187 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS C 43 77.888 12.166 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.728 14.588 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS C 43 77.097 14.390 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 78.454 15.684 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.990 14.221 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.571 14.413 -1.022 1.00 0.00 H new ATOM 664 N VAL C 44 82.219 10.082 0.318 1.00 0.00 N ATOM 665 CA VAL C 44 82.621 9.393 1.541 1.00 0.00 C ATOM 666 C VAL C 44 83.932 9.966 2.069 1.00 0.00 C ATOM 667 O VAL C 44 84.014 10.415 3.212 1.00 0.00 O ATOM 668 CB VAL C 44 82.800 7.897 1.283 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.144 7.190 2.595 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.500 7.320 0.719 1.00 0.00 C ATOM 0 H VAL C 44 82.001 9.467 -0.466 1.00 0.00 H new ATOM 0 HA VAL C 44 81.835 9.540 2.281 1.00 0.00 H new ATOM 0 HB VAL C 44 83.608 7.745 0.567 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.272 6.123 2.411 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.069 7.602 2.999 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.337 7.340 3.312 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.625 6.253 0.534 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.693 7.472 1.436 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.254 7.824 -0.216 1.00 0.00 H new ATOM 680 N MET C 45 84.958 9.945 1.223 1.00 0.00 N ATOM 681 CA MET C 45 86.263 10.467 1.616 1.00 0.00 C ATOM 682 C MET C 45 86.106 11.830 2.281 1.00 0.00 C ATOM 683 O MET C 45 86.627 12.070 3.371 1.00 0.00 O ATOM 684 CB MET C 45 87.177 10.603 0.398 1.00 0.00 C ATOM 685 CG MET C 45 87.369 9.231 -0.251 1.00 0.00 C ATOM 686 SD MET C 45 89.003 8.582 0.183 1.00 0.00 S ATOM 687 CE MET C 45 88.602 8.062 1.870 1.00 0.00 C ATOM 0 H MET C 45 84.913 9.577 0.273 1.00 0.00 H new ATOM 0 HA MET C 45 86.710 9.767 2.321 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.743 11.299 -0.320 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.141 11.014 0.698 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.592 8.545 0.087 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.274 9.312 -1.334 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.279 7.264 2.175 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.711 8.909 2.547 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.575 7.700 1.905 1.00 0.00 H new ATOM 697 N ARG C 46 85.376 12.720 1.615 1.00 0.00 N ATOM 698 CA ARG C 46 85.147 14.056 2.148 1.00 0.00 C ATOM 699 C ARG C 46 84.734 13.974 3.614 1.00 0.00 C ATOM 700 O ARG C 46 85.431 14.471 4.499 1.00 0.00 O ATOM 701 CB ARG C 46 84.046 14.760 1.356 1.00 0.00 C ATOM 702 CG ARG C 46 84.193 16.272 1.517 1.00 0.00 C ATOM 703 CD ARG C 46 83.354 16.738 2.707 1.00 0.00 C ATOM 704 NE ARG C 46 83.440 18.187 2.867 1.00 0.00 N ATOM 705 CZ ARG C 46 82.849 19.007 2.003 1.00 0.00 C ATOM 706 NH1 ARG C 46 82.192 18.521 0.986 1.00 0.00 N ATOM 707 NH2 ARG C 46 82.928 20.299 2.172 1.00 0.00 N ATOM 0 H ARG C 46 84.936 12.541 0.712 1.00 0.00 H new ATOM 0 HA ARG C 46 86.074 14.623 2.063 1.00 0.00 H new ATOM 0 HB2 ARG C 46 84.110 14.487 0.303 1.00 0.00 H new ATOM 0 HB3 ARG C 46 83.066 14.439 1.710 1.00 0.00 H new ATOM 0 HG2 ARG C 46 85.240 16.533 1.671 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.869 16.779 0.608 1.00 0.00 H new ATOM 0 HD2 ARG C 46 82.314 16.445 2.562 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.700 16.246 3.616 1.00 0.00 H new ATOM 0 HE ARG C 46 83.961 18.576 3.653 1.00 0.00 H new ATOM 0 HH11 ARG C 46 82.131 17.511 0.853 1.00 0.00 H new ATOM 0 HH12 ARG C 46 81.739 19.151 0.324 1.00 0.00 H new ATOM 0 HH21 ARG C 46 83.443 20.679 2.966 1.00 0.00 H new ATOM 0 HH22 ARG C 46 82.475 20.929 1.510 1.00 0.00 H new ATOM 721 N MET C 47 83.594 13.336 3.861 1.00 0.00 N ATOM 722 CA MET C 47 83.097 13.188 5.226 1.00 0.00 C ATOM 723 C MET C 47 84.216 12.708 6.143 1.00 0.00 C ATOM 724 O MET C 47 84.484 13.305 7.186 1.00 0.00 O ATOM 725 CB MET C 47 81.947 12.178 5.273 1.00 0.00 C ATOM 726 CG MET C 47 80.876 12.570 4.254 1.00 0.00 C ATOM 727 SD MET C 47 79.240 12.434 5.018 1.00 0.00 S ATOM 728 CE MET C 47 79.430 10.754 5.662 1.00 0.00 C ATOM 0 H MET C 47 83.002 12.917 3.143 1.00 0.00 H new ATOM 0 HA MET C 47 82.737 14.160 5.563 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.320 11.177 5.056 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.517 12.148 6.274 1.00 0.00 H new ATOM 0 HG2 MET C 47 81.044 13.590 3.908 1.00 0.00 H new ATOM 0 HG3 MET C 47 80.936 11.922 3.379 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.466 10.245 5.642 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.143 10.206 5.045 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.796 10.797 6.688 1.00 0.00 H new ATOM 738 N LEU C 48 84.870 11.622 5.739 1.00 0.00 N ATOM 739 CA LEU C 48 85.965 11.064 6.527 1.00 0.00 C ATOM 740 C LEU C 48 86.928 12.169 6.950 1.00 0.00 C ATOM 741 O LEU C 48 86.805 12.740 8.034 1.00 0.00 O ATOM 742 CB LEU C 48 86.731 10.018 5.713 1.00 0.00 C ATOM 743 CG LEU C 48 86.099 8.640 5.924 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.841 8.515 5.064 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.099 7.554 5.520 1.00 0.00 C ATOM 0 H LEU C 48 84.663 11.115 4.879 1.00 0.00 H new ATOM 0 HA LEU C 48 85.540 10.592 7.413 1.00 0.00 H new ATOM 0 HB2 LEU C 48 86.712 10.280 4.655 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.777 10.000 6.018 1.00 0.00 H new ATOM 0 HG LEU C 48 85.834 8.521 6.975 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.393 7.533 5.216 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.127 9.288 5.349 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.105 8.635 4.013 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.650 6.572 5.670 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.364 7.676 4.470 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.997 7.640 6.132 1.00 0.00 H new ATOM 757 N GLY C 49 87.887 12.465 6.077 1.00 0.00 N ATOM 758 CA GLY C 49 88.871 13.506 6.360 1.00 0.00 C ATOM 759 C GLY C 49 89.802 13.701 5.169 1.00 0.00 C ATOM 760 O GLY C 49 90.980 14.022 5.327 1.00 0.00 O ATOM 0 H GLY C 49 88.004 12.003 5.175 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.362 14.443 6.588 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.451 13.235 7.242 1.00 0.00 H new ATOM 764 N GLN C 50 89.256 13.501 3.972 1.00 0.00 N ATOM 765 CA GLN C 50 90.039 13.654 2.750 1.00 0.00 C ATOM 766 C GLN C 50 89.141 14.085 1.595 1.00 0.00 C ATOM 767 O GLN C 50 88.002 13.634 1.473 1.00 0.00 O ATOM 768 CB GLN C 50 90.718 12.334 2.379 1.00 0.00 C ATOM 769 CG GLN C 50 91.885 12.071 3.332 1.00 0.00 C ATOM 770 CD GLN C 50 91.513 10.945 4.290 1.00 0.00 C ATOM 771 OE1 GLN C 50 90.738 10.055 3.941 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.024 10.931 5.490 1.00 0.00 N ATOM 0 H GLN C 50 88.283 13.235 3.823 1.00 0.00 H new ATOM 0 HA GLN C 50 90.797 14.416 2.931 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.000 11.516 2.433 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.077 12.375 1.351 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.777 11.802 2.766 1.00 0.00 H new ATOM 0 HG3 GLN C 50 92.123 12.976 3.892 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.666 11.669 5.779 1.00 0.00 H new ATOM 0 HE22 GLN C 50 91.781 10.182 6.139 1.00 0.00 H new ATOM 781 N ASN C 51 89.668 14.961 0.747 1.00 0.00 N ATOM 782 CA ASN C 51 88.909 15.446 -0.401 1.00 0.00 C ATOM 783 C ASN C 51 89.667 15.158 -1.692 1.00 0.00 C ATOM 784 O ASN C 51 90.433 15.990 -2.179 1.00 0.00 O ATOM 785 CB ASN C 51 88.663 16.952 -0.287 1.00 0.00 C ATOM 786 CG ASN C 51 88.074 17.474 -1.593 1.00 0.00 C ATOM 787 OD1 ASN C 51 88.605 18.410 -2.191 1.00 0.00 O ATOM 788 ND2 ASN C 51 86.995 16.921 -2.076 1.00 0.00 N ATOM 0 H ASN C 51 90.608 15.347 0.830 1.00 0.00 H new ATOM 0 HA ASN C 51 87.950 14.928 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN C 51 87.982 17.158 0.539 1.00 0.00 H new ATOM 0 HB3 ASN C 51 89.597 17.468 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN C 51 86.593 17.264 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN C 51 86.554 16.145 -1.581 1.00 0.00 H new ATOM 795 N PRO C 52 89.459 13.968 -2.249 1.00 0.00 N ATOM 796 CA PRO C 52 90.124 13.546 -3.494 1.00 0.00 C ATOM 797 C PRO C 52 89.439 14.095 -4.743 1.00 0.00 C ATOM 798 O PRO C 52 88.446 14.817 -4.657 1.00 0.00 O ATOM 799 CB PRO C 52 89.994 12.029 -3.427 1.00 0.00 C ATOM 800 CG PRO C 52 88.802 11.723 -2.526 1.00 0.00 C ATOM 801 CD PRO C 52 88.543 12.967 -1.670 1.00 0.00 C ATOM 0 HA PRO C 52 91.149 13.909 -3.568 1.00 0.00 H new ATOM 0 HB2 PRO C 52 89.843 11.611 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO C 52 90.904 11.581 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO C 52 87.923 11.478 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.010 10.859 -1.895 1.00 0.00 H new ATOM 0 HD2 PRO C 52 87.503 13.289 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO C 52 88.759 12.784 -0.617 1.00 0.00 H new ATOM 809 N THR C 53 89.983 13.744 -5.903 1.00 0.00 N ATOM 810 CA THR C 53 89.418 14.207 -7.169 1.00 0.00 C ATOM 811 C THR C 53 88.803 13.036 -7.929 1.00 0.00 C ATOM 812 O THR C 53 88.857 11.890 -7.484 1.00 0.00 O ATOM 813 CB THR C 53 90.492 14.872 -8.048 1.00 0.00 C ATOM 814 OG1 THR C 53 90.821 14.014 -9.131 1.00 0.00 O ATOM 815 CG2 THR C 53 91.751 15.155 -7.224 1.00 0.00 C ATOM 0 H THR C 53 90.805 13.147 -5.995 1.00 0.00 H new ATOM 0 HA THR C 53 88.648 14.944 -6.939 1.00 0.00 H new ATOM 0 HB THR C 53 90.098 15.813 -8.431 1.00 0.00 H new ATOM 0 HG1 THR C 53 91.504 14.440 -9.690 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.503 15.625 -7.858 1.00 0.00 H new ATOM 0 HG22 THR C 53 91.503 15.822 -6.399 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.145 14.219 -6.828 1.00 0.00 H new ATOM 823 N PRO C 54 88.213 13.321 -9.087 1.00 0.00 N ATOM 824 CA PRO C 54 87.581 12.290 -9.927 1.00 0.00 C ATOM 825 C PRO C 54 88.596 11.519 -10.767 1.00 0.00 C ATOM 826 O PRO C 54 88.288 10.470 -11.332 1.00 0.00 O ATOM 827 CB PRO C 54 86.656 13.117 -10.810 1.00 0.00 C ATOM 828 CG PRO C 54 87.227 14.530 -10.851 1.00 0.00 C ATOM 829 CD PRO C 54 88.141 14.690 -9.631 1.00 0.00 C ATOM 0 HA PRO C 54 87.074 11.521 -9.344 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.600 12.694 -11.813 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.642 13.122 -10.409 1.00 0.00 H new ATOM 0 HG2 PRO C 54 87.786 14.692 -11.773 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.426 15.269 -10.830 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.125 15.065 -9.911 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.727 15.391 -8.906 1.00 0.00 H new ATOM 837 N GLU C 55 89.813 12.053 -10.838 1.00 0.00 N ATOM 838 CA GLU C 55 90.873 11.408 -11.607 1.00 0.00 C ATOM 839 C GLU C 55 91.587 10.364 -10.752 1.00 0.00 C ATOM 840 O GLU C 55 91.913 9.274 -11.222 1.00 0.00 O ATOM 841 CB GLU C 55 91.896 12.440 -12.088 1.00 0.00 C ATOM 842 CG GLU C 55 91.171 13.695 -12.576 1.00 0.00 C ATOM 843 CD GLU C 55 90.037 13.296 -13.514 1.00 0.00 C ATOM 844 OE1 GLU C 55 90.225 12.362 -14.276 1.00 0.00 O ATOM 845 OE2 GLU C 55 88.996 13.930 -13.456 1.00 0.00 O ATOM 0 H GLU C 55 90.087 12.921 -10.378 1.00 0.00 H new ATOM 0 HA GLU C 55 90.415 10.925 -12.470 1.00 0.00 H new ATOM 0 HB2 GLU C 55 92.579 12.695 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.499 12.021 -12.893 1.00 0.00 H new ATOM 0 HG2 GLU C 55 90.776 14.253 -11.727 1.00 0.00 H new ATOM 0 HG3 GLU C 55 91.869 14.354 -13.092 1.00 0.00 H new ATOM 852 N GLU C 56 91.826 10.714 -9.490 1.00 0.00 N ATOM 853 CA GLU C 56 92.506 9.803 -8.571 1.00 0.00 C ATOM 854 C GLU C 56 91.526 8.779 -8.009 1.00 0.00 C ATOM 855 O GLU C 56 91.919 7.698 -7.570 1.00 0.00 O ATOM 856 CB GLU C 56 93.130 10.582 -7.411 1.00 0.00 C ATOM 857 CG GLU C 56 94.586 10.914 -7.744 1.00 0.00 C ATOM 858 CD GLU C 56 95.450 10.724 -6.501 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.131 11.318 -5.485 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.419 9.988 -6.586 1.00 0.00 O ATOM 0 H GLU C 56 91.562 11.612 -9.083 1.00 0.00 H new ATOM 0 HA GLU C 56 93.289 9.288 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.569 11.499 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.080 9.993 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU C 56 94.942 10.270 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.663 11.941 -8.100 1.00 0.00 H new ATOM 867 N LEU C 57 90.243 9.131 -8.025 1.00 0.00 N ATOM 868 CA LEU C 57 89.212 8.233 -7.512 1.00 0.00 C ATOM 869 C LEU C 57 88.933 7.116 -8.511 1.00 0.00 C ATOM 870 O LEU C 57 88.979 5.934 -8.172 1.00 0.00 O ATOM 871 CB LEU C 57 87.916 9.000 -7.245 1.00 0.00 C ATOM 872 CG LEU C 57 88.043 9.771 -5.930 1.00 0.00 C ATOM 873 CD1 LEU C 57 86.804 10.646 -5.727 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.161 8.779 -4.770 1.00 0.00 C ATOM 0 H LEU C 57 89.895 10.021 -8.383 1.00 0.00 H new ATOM 0 HA LEU C 57 89.576 7.803 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU C 57 87.713 9.689 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.075 8.308 -7.194 1.00 0.00 H new ATOM 0 HG LEU C 57 88.931 10.403 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU C 57 86.896 11.195 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU C 57 86.717 11.351 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU C 57 85.915 10.016 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.252 9.326 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.272 8.149 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.043 8.155 -4.913 1.00 0.00 H new ATOM 886 N GLN C 58 88.646 7.504 -9.750 1.00 0.00 N ATOM 887 CA GLN C 58 88.364 6.525 -10.796 1.00 0.00 C ATOM 888 C GLN C 58 89.336 5.354 -10.699 1.00 0.00 C ATOM 889 O GLN C 58 88.991 4.213 -11.005 1.00 0.00 O ATOM 890 CB GLN C 58 88.492 7.167 -12.179 1.00 0.00 C ATOM 891 CG GLN C 58 88.315 6.097 -13.257 1.00 0.00 C ATOM 892 CD GLN C 58 86.884 5.572 -13.223 1.00 0.00 C ATOM 893 OE1 GLN C 58 86.455 4.984 -12.230 1.00 0.00 O ATOM 894 NE2 GLN C 58 86.112 5.754 -14.259 1.00 0.00 N ATOM 0 H GLN C 58 88.603 8.477 -10.053 1.00 0.00 H new ATOM 0 HA GLN C 58 87.344 6.166 -10.658 1.00 0.00 H new ATOM 0 HB2 GLN C 58 87.741 7.948 -12.300 1.00 0.00 H new ATOM 0 HB3 GLN C 58 89.467 7.644 -12.281 1.00 0.00 H new ATOM 0 HG2 GLN C 58 88.537 6.515 -14.239 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.017 5.280 -13.092 1.00 0.00 H new ATOM 0 HE21 GLN C 58 86.468 6.241 -15.081 1.00 0.00 H new ATOM 0 HE22 GLN C 58 85.152 5.409 -14.247 1.00 0.00 H new ATOM 903 N GLU C 59 90.558 5.654 -10.270 1.00 0.00 N ATOM 904 CA GLU C 59 91.584 4.625 -10.134 1.00 0.00 C ATOM 905 C GLU C 59 91.190 3.611 -9.064 1.00 0.00 C ATOM 906 O GLU C 59 91.439 2.413 -9.201 1.00 0.00 O ATOM 907 CB GLU C 59 92.923 5.255 -9.749 1.00 0.00 C ATOM 908 CG GLU C 59 93.780 5.437 -11.003 1.00 0.00 C ATOM 909 CD GLU C 59 94.611 4.181 -11.238 1.00 0.00 C ATOM 910 OE1 GLU C 59 95.654 4.059 -10.617 1.00 0.00 O ATOM 911 OE2 GLU C 59 94.192 3.359 -12.036 1.00 0.00 O ATOM 0 H GLU C 59 90.861 6.593 -10.012 1.00 0.00 H new ATOM 0 HA GLU C 59 91.680 4.119 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU C 59 92.758 6.218 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.442 4.621 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU C 59 93.143 5.631 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.433 6.302 -10.887 1.00 0.00 H new ATOM 918 N MET C 60 90.574 4.107 -7.994 1.00 0.00 N ATOM 919 CA MET C 60 90.150 3.239 -6.899 1.00 0.00 C ATOM 920 C MET C 60 89.140 2.207 -7.393 1.00 0.00 C ATOM 921 O MET C 60 89.076 1.087 -6.885 1.00 0.00 O ATOM 922 CB MET C 60 89.516 4.065 -5.778 1.00 0.00 C ATOM 923 CG MET C 60 90.618 4.706 -4.932 1.00 0.00 C ATOM 924 SD MET C 60 90.042 6.296 -4.287 1.00 0.00 S ATOM 925 CE MET C 60 90.361 5.961 -2.538 1.00 0.00 C ATOM 0 H MET C 60 90.359 5.095 -7.862 1.00 0.00 H new ATOM 0 HA MET C 60 91.032 2.725 -6.516 1.00 0.00 H new ATOM 0 HB2 MET C 60 88.871 4.836 -6.200 1.00 0.00 H new ATOM 0 HB3 MET C 60 88.887 3.430 -5.154 1.00 0.00 H new ATOM 0 HG2 MET C 60 90.889 4.045 -4.109 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.515 4.850 -5.534 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.089 6.834 -1.945 1.00 0.00 H new ATOM 0 HE2 MET C 60 89.767 5.105 -2.217 1.00 0.00 H new ATOM 0 HE3 MET C 60 91.419 5.742 -2.397 1.00 0.00 H new ATOM 935 N ILE C 61 88.351 2.597 -8.389 1.00 0.00 N ATOM 936 CA ILE C 61 87.343 1.703 -8.950 1.00 0.00 C ATOM 937 C ILE C 61 87.991 0.711 -9.916 1.00 0.00 C ATOM 938 O ILE C 61 87.595 -0.451 -9.993 1.00 0.00 O ATOM 939 CB ILE C 61 86.272 2.520 -9.690 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.320 3.185 -8.682 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.460 1.605 -10.611 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.067 3.561 -7.399 1.00 0.00 C ATOM 0 H ILE C 61 88.389 3.520 -8.822 1.00 0.00 H new ATOM 0 HA ILE C 61 86.876 1.149 -8.135 1.00 0.00 H new ATOM 0 HB ILE C 61 86.771 3.288 -10.281 1.00 0.00 H new ATOM 0 HG12 ILE C 61 84.878 4.077 -9.126 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.500 2.506 -8.446 1.00 0.00 H new ATOM 0 HG21 ILE C 61 84.703 2.192 -11.132 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.124 1.141 -11.340 1.00 0.00 H new ATOM 0 HG23 ILE C 61 84.974 0.830 -10.018 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.375 4.030 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.488 2.663 -6.946 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.871 4.258 -7.637 1.00 0.00 H new ATOM 954 N ASP C 62 88.990 1.187 -10.652 1.00 0.00 N ATOM 955 CA ASP C 62 89.685 0.335 -11.613 1.00 0.00 C ATOM 956 C ASP C 62 90.099 -0.983 -10.963 1.00 0.00 C ATOM 957 O ASP C 62 90.254 -2.001 -11.637 1.00 0.00 O ATOM 958 CB ASP C 62 90.933 1.038 -12.149 1.00 0.00 C ATOM 959 CG ASP C 62 90.841 1.144 -13.668 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.260 2.106 -14.141 1.00 0.00 O ATOM 961 OD2 ASP C 62 91.354 0.261 -14.335 1.00 0.00 O ATOM 0 H ASP C 62 89.334 2.146 -10.604 1.00 0.00 H new ATOM 0 HA ASP C 62 88.999 0.133 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.022 2.031 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.827 0.482 -11.866 1.00 0.00 H new ATOM 966 N GLU C 63 90.277 -0.952 -9.645 1.00 0.00 N ATOM 967 CA GLU C 63 90.676 -2.153 -8.913 1.00 0.00 C ATOM 968 C GLU C 63 89.517 -3.141 -8.835 1.00 0.00 C ATOM 969 O GLU C 63 89.691 -4.344 -9.028 1.00 0.00 O ATOM 970 CB GLU C 63 91.118 -1.799 -7.491 1.00 0.00 C ATOM 971 CG GLU C 63 91.735 -0.400 -7.478 1.00 0.00 C ATOM 972 CD GLU C 63 92.587 -0.231 -6.225 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.427 -1.083 -5.986 1.00 0.00 O ATOM 974 OE2 GLU C 63 92.387 0.746 -5.523 1.00 0.00 O ATOM 0 H GLU C 63 90.154 -0.121 -9.067 1.00 0.00 H new ATOM 0 HA GLU C 63 91.509 -2.606 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.264 -1.837 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU C 63 91.842 -2.530 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.346 -0.252 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU C 63 90.950 0.356 -7.501 1.00 0.00 H new ATOM 981 N VAL C 64 88.332 -2.616 -8.543 1.00 0.00 N ATOM 982 CA VAL C 64 87.143 -3.455 -8.433 1.00 0.00 C ATOM 983 C VAL C 64 86.422 -3.544 -9.774 1.00 0.00 C ATOM 984 O VAL C 64 85.573 -4.411 -9.982 1.00 0.00 O ATOM 985 CB VAL C 64 86.185 -2.880 -7.390 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.843 -2.930 -6.011 1.00 0.00 C ATOM 987 CG2 VAL C 64 85.861 -1.427 -7.747 1.00 0.00 C ATOM 0 H VAL C 64 88.169 -1.623 -8.379 1.00 0.00 H new ATOM 0 HA VAL C 64 87.461 -4.452 -8.129 1.00 0.00 H new ATOM 0 HB VAL C 64 85.267 -3.467 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.160 -2.520 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.078 -3.964 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.761 -2.342 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.178 -1.014 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.780 -0.842 -7.759 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.394 -1.390 -8.731 1.00 0.00 H new ATOM 997 N ASP C 65 86.769 -2.636 -10.681 1.00 0.00 N ATOM 998 CA ASP C 65 86.147 -2.618 -12.002 1.00 0.00 C ATOM 999 C ASP C 65 86.868 -3.574 -12.947 1.00 0.00 C ATOM 1000 O ASP C 65 87.529 -3.151 -13.897 1.00 0.00 O ATOM 1001 CB ASP C 65 86.186 -1.207 -12.592 1.00 0.00 C ATOM 1002 CG ASP C 65 84.778 -0.620 -12.610 1.00 0.00 C ATOM 1003 OD1 ASP C 65 83.895 -1.229 -12.029 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.604 0.431 -13.205 1.00 0.00 O ATOM 0 H ASP C 65 87.469 -1.910 -10.529 1.00 0.00 H new ATOM 0 HA ASP C 65 85.110 -2.936 -11.889 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.847 -0.573 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.592 -1.236 -13.603 1.00 0.00 H new ATOM 1009 N GLU C 66 86.731 -4.868 -12.677 1.00 0.00 N ATOM 1010 CA GLU C 66 87.370 -5.884 -13.509 1.00 0.00 C ATOM 1011 C GLU C 66 86.481 -6.228 -14.700 1.00 0.00 C ATOM 1012 O GLU C 66 86.959 -6.672 -15.743 1.00 0.00 O ATOM 1013 CB GLU C 66 87.631 -7.154 -12.699 1.00 0.00 C ATOM 1014 CG GLU C 66 88.929 -6.997 -11.905 1.00 0.00 C ATOM 1015 CD GLU C 66 90.061 -7.709 -12.637 1.00 0.00 C ATOM 1016 OE1 GLU C 66 90.380 -7.294 -13.740 1.00 0.00 O ATOM 1017 OE2 GLU C 66 90.592 -8.658 -12.086 1.00 0.00 O ATOM 0 H GLU C 66 86.188 -5.237 -11.896 1.00 0.00 H new ATOM 0 HA GLU C 66 88.318 -5.482 -13.865 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.799 -7.343 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.702 -8.014 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.168 -5.941 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU C 66 88.809 -7.414 -10.905 1.00 0.00 H new ATOM 1024 N ASP C 67 85.179 -6.014 -14.530 1.00 0.00 N ATOM 1025 CA ASP C 67 84.224 -6.303 -15.596 1.00 0.00 C ATOM 1026 C ASP C 67 84.018 -5.072 -16.473 1.00 0.00 C ATOM 1027 O ASP C 67 83.601 -5.176 -17.626 1.00 0.00 O ATOM 1028 CB ASP C 67 82.877 -6.729 -15.009 1.00 0.00 C ATOM 1029 CG ASP C 67 82.247 -5.552 -14.270 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.682 -5.269 -13.165 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.337 -4.953 -14.819 1.00 0.00 O ATOM 0 H ASP C 67 84.764 -5.646 -13.674 1.00 0.00 H new ATOM 0 HA ASP C 67 84.628 -7.116 -16.199 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.214 -7.070 -15.804 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.015 -7.568 -14.327 1.00 0.00 H new ATOM 1036 N GLY C 68 84.318 -3.904 -15.911 1.00 0.00 N ATOM 1037 CA GLY C 68 84.164 -2.653 -16.649 1.00 0.00 C ATOM 1038 C GLY C 68 82.765 -2.077 -16.454 1.00 0.00 C ATOM 1039 O GLY C 68 82.150 -1.571 -17.394 1.00 0.00 O ATOM 0 H GLY C 68 84.665 -3.797 -14.958 1.00 0.00 H new ATOM 0 HA2 GLY C 68 84.909 -1.932 -16.311 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.346 -2.827 -17.710 1.00 0.00 H new ATOM 1043 N SER C 69 82.270 -2.158 -15.222 1.00 0.00 N ATOM 1044 CA SER C 69 80.941 -1.639 -14.910 1.00 0.00 C ATOM 1045 C SER C 69 80.997 -0.128 -14.706 1.00 0.00 C ATOM 1046 O SER C 69 80.076 0.599 -15.077 1.00 0.00 O ATOM 1047 CB SER C 69 80.395 -2.293 -13.641 1.00 0.00 C ATOM 1048 OG SER C 69 81.466 -2.528 -12.736 1.00 0.00 O ATOM 0 H SER C 69 82.762 -2.573 -14.431 1.00 0.00 H new ATOM 0 HA SER C 69 80.283 -1.870 -15.748 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.648 -1.648 -13.178 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.898 -3.232 -13.887 1.00 0.00 H new ATOM 0 HG SER C 69 82.094 -1.776 -12.770 1.00 0.00 H new ATOM 1054 N GLY C 70 82.093 0.334 -14.111 1.00 0.00 N ATOM 1055 CA GLY C 70 82.268 1.762 -13.860 1.00 0.00 C ATOM 1056 C GLY C 70 81.864 2.117 -12.432 1.00 0.00 C ATOM 1057 O GLY C 70 81.785 3.291 -12.070 1.00 0.00 O ATOM 0 H GLY C 70 82.866 -0.252 -13.796 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.309 2.040 -14.028 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.667 2.336 -14.566 1.00 0.00 H new ATOM 1061 N THR C 71 81.611 1.091 -11.624 1.00 0.00 N ATOM 1062 CA THR C 71 81.216 1.311 -10.236 1.00 0.00 C ATOM 1063 C THR C 71 81.594 0.109 -9.376 1.00 0.00 C ATOM 1064 O THR C 71 82.028 -0.926 -9.883 1.00 0.00 O ATOM 1065 CB THR C 71 79.706 1.539 -10.135 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.023 0.350 -10.506 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.297 2.679 -11.070 1.00 0.00 C ATOM 0 H THR C 71 81.671 0.111 -11.901 1.00 0.00 H new ATOM 0 HA THR C 71 81.741 2.196 -9.876 1.00 0.00 H new ATOM 0 HB THR C 71 79.445 1.802 -9.110 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.065 0.537 -10.595 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.222 2.841 -10.998 1.00 0.00 H new ATOM 0 HG22 THR C 71 79.821 3.591 -10.783 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.556 2.419 -12.096 1.00 0.00 H new ATOM 1075 N VAL C 72 81.424 0.261 -8.065 1.00 0.00 N ATOM 1076 CA VAL C 72 81.747 -0.814 -7.130 1.00 0.00 C ATOM 1077 C VAL C 72 80.483 -1.313 -6.440 1.00 0.00 C ATOM 1078 O VAL C 72 80.104 -0.822 -5.377 1.00 0.00 O ATOM 1079 CB VAL C 72 82.731 -0.318 -6.071 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.493 -1.507 -5.483 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.721 0.657 -6.713 1.00 0.00 C ATOM 0 H VAL C 72 81.067 1.111 -7.628 1.00 0.00 H new ATOM 0 HA VAL C 72 82.200 -1.630 -7.693 1.00 0.00 H new ATOM 0 HB VAL C 72 82.184 0.189 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.194 -1.152 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.788 -2.201 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.041 -2.016 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.423 1.012 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.268 0.150 -7.508 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.178 1.505 -7.130 1.00 0.00 H new ATOM 1091 N ASP C 73 79.834 -2.294 -7.064 1.00 0.00 N ATOM 1092 CA ASP C 73 78.603 -2.862 -6.518 1.00 0.00 C ATOM 1093 C ASP C 73 78.768 -3.221 -5.043 1.00 0.00 C ATOM 1094 O ASP C 73 79.784 -2.913 -4.420 1.00 0.00 O ATOM 1095 CB ASP C 73 78.211 -4.121 -7.293 1.00 0.00 C ATOM 1096 CG ASP C 73 79.387 -5.091 -7.316 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.843 -5.464 -6.249 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.816 -5.447 -8.402 1.00 0.00 O ATOM 0 H ASP C 73 80.138 -2.711 -7.944 1.00 0.00 H new ATOM 0 HA ASP C 73 77.822 -2.108 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.346 -4.593 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.922 -3.859 -8.311 1.00 0.00 H new ATOM 1103 N PHE C 74 77.747 -3.876 -4.496 1.00 0.00 N ATOM 1104 CA PHE C 74 77.767 -4.278 -3.090 1.00 0.00 C ATOM 1105 C PHE C 74 78.611 -5.538 -2.894 1.00 0.00 C ATOM 1106 O PHE C 74 78.713 -6.068 -1.788 1.00 0.00 O ATOM 1107 CB PHE C 74 76.340 -4.549 -2.599 1.00 0.00 C ATOM 1108 CG PHE C 74 76.384 -5.169 -1.223 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.515 -4.355 -0.092 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.297 -6.559 -1.079 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.559 -4.932 1.183 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.342 -7.135 0.196 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.473 -6.322 1.327 1.00 0.00 C ATOM 0 H PHE C 74 76.900 -4.139 -5.000 1.00 0.00 H new ATOM 0 HA PHE C 74 78.207 -3.464 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE C 74 75.772 -3.619 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.827 -5.215 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.582 -3.283 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.195 -7.187 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.659 -4.304 2.056 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.276 -8.207 0.307 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.508 -6.766 2.311 1.00 0.00 H new ATOM 1123 N ASP C 75 79.214 -6.015 -3.978 1.00 0.00 N ATOM 1124 CA ASP C 75 80.041 -7.217 -3.904 1.00 0.00 C ATOM 1125 C ASP C 75 81.523 -6.854 -3.896 1.00 0.00 C ATOM 1126 O ASP C 75 82.156 -6.788 -2.842 1.00 0.00 O ATOM 1127 CB ASP C 75 79.761 -8.131 -5.099 1.00 0.00 C ATOM 1128 CG ASP C 75 78.692 -9.149 -4.720 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.912 -9.886 -3.773 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.667 -9.177 -5.382 1.00 0.00 O ATOM 0 H ASP C 75 79.148 -5.596 -4.906 1.00 0.00 H new ATOM 0 HA ASP C 75 79.792 -7.736 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.429 -7.540 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.675 -8.643 -5.401 1.00 0.00 H new ATOM 1135 N GLU C 76 82.069 -6.630 -5.087 1.00 0.00 N ATOM 1136 CA GLU C 76 83.483 -6.282 -5.218 1.00 0.00 C ATOM 1137 C GLU C 76 83.893 -5.276 -4.145 1.00 0.00 C ATOM 1138 O GLU C 76 85.055 -5.217 -3.744 1.00 0.00 O ATOM 1139 CB GLU C 76 83.774 -5.689 -6.602 1.00 0.00 C ATOM 1140 CG GLU C 76 82.579 -4.859 -7.081 1.00 0.00 C ATOM 1141 CD GLU C 76 82.920 -4.202 -8.414 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.480 -3.119 -8.393 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.617 -4.793 -9.438 1.00 0.00 O ATOM 0 H GLU C 76 81.560 -6.682 -5.970 1.00 0.00 H new ATOM 0 HA GLU C 76 84.060 -7.198 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.666 -5.064 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.979 -6.489 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.701 -5.495 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.331 -4.098 -6.341 1.00 0.00 H new ATOM 1150 N PHE C 77 82.928 -4.487 -3.680 1.00 0.00 N ATOM 1151 CA PHE C 77 83.207 -3.492 -2.649 1.00 0.00 C ATOM 1152 C PHE C 77 83.951 -4.132 -1.478 1.00 0.00 C ATOM 1153 O PHE C 77 85.134 -3.874 -1.257 1.00 0.00 O ATOM 1154 CB PHE C 77 81.902 -2.870 -2.137 1.00 0.00 C ATOM 1155 CG PHE C 77 82.171 -2.096 -0.867 1.00 0.00 C ATOM 1156 CD1 PHE C 77 82.847 -0.872 -0.924 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.749 -2.606 0.368 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.103 -0.158 0.253 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.004 -1.892 1.544 1.00 0.00 C ATOM 1160 CZ PHE C 77 82.681 -0.668 1.487 1.00 0.00 C ATOM 0 H PHE C 77 81.958 -4.516 -3.996 1.00 0.00 H new ATOM 0 HA PHE C 77 83.829 -2.713 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.481 -2.209 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.165 -3.651 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.171 -0.478 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.227 -3.550 0.412 1.00 0.00 H new ATOM 0 HE1 PHE C 77 83.626 0.786 0.209 1.00 0.00 H new ATOM 0 HE2 PHE C 77 81.679 -2.285 2.496 1.00 0.00 H new ATOM 0 HZ PHE C 77 82.878 -0.117 2.395 1.00 0.00 H new ATOM 1170 N LEU C 78 83.237 -4.964 -0.727 1.00 0.00 N ATOM 1171 CA LEU C 78 83.829 -5.634 0.427 1.00 0.00 C ATOM 1172 C LEU C 78 85.088 -6.396 0.023 1.00 0.00 C ATOM 1173 O LEU C 78 86.172 -6.156 0.553 1.00 0.00 O ATOM 1174 CB LEU C 78 82.826 -6.610 1.047 1.00 0.00 C ATOM 1175 CG LEU C 78 81.887 -5.848 1.983 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.448 -6.315 1.758 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.288 -6.115 3.436 1.00 0.00 C ATOM 0 H LEU C 78 82.256 -5.190 -0.894 1.00 0.00 H new ATOM 0 HA LEU C 78 84.094 -4.871 1.159 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.253 -7.106 0.264 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.353 -7.389 1.598 1.00 0.00 H new ATOM 0 HG LEU C 78 81.958 -4.780 1.776 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.780 -5.771 2.426 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.161 -6.124 0.724 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.376 -7.383 1.964 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.619 -5.572 4.104 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.218 -7.183 3.642 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.313 -5.780 3.598 1.00 0.00 H new ATOM 1189 N VAL C 79 84.933 -7.320 -0.920 1.00 0.00 N ATOM 1190 CA VAL C 79 86.066 -8.116 -1.387 1.00 0.00 C ATOM 1191 C VAL C 79 87.323 -7.257 -1.487 1.00 0.00 C ATOM 1192 O VAL C 79 88.364 -7.590 -0.921 1.00 0.00 O ATOM 1193 CB VAL C 79 85.769 -8.720 -2.760 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.909 -9.656 -3.163 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.461 -9.510 -2.695 1.00 0.00 C ATOM 0 H VAL C 79 84.045 -7.536 -1.373 1.00 0.00 H new ATOM 0 HA VAL C 79 86.229 -8.916 -0.665 1.00 0.00 H new ATOM 0 HB VAL C 79 85.677 -7.922 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.697 -10.087 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.842 -9.095 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.001 -10.455 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.248 -9.941 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.554 -10.308 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.648 -8.844 -2.407 1.00 0.00 H new ATOM 1205 N MET C 80 87.216 -6.150 -2.217 1.00 0.00 N ATOM 1206 CA MET C 80 88.354 -5.251 -2.388 1.00 0.00 C ATOM 1207 C MET C 80 89.148 -5.146 -1.089 1.00 0.00 C ATOM 1208 O MET C 80 90.324 -5.506 -1.033 1.00 0.00 O ATOM 1209 CB MET C 80 87.879 -3.854 -2.801 1.00 0.00 C ATOM 1210 CG MET C 80 89.040 -2.862 -2.691 1.00 0.00 C ATOM 1211 SD MET C 80 89.132 -1.868 -4.201 1.00 0.00 S ATOM 1212 CE MET C 80 88.160 -0.464 -3.605 1.00 0.00 C ATOM 0 H MET C 80 86.364 -5.856 -2.694 1.00 0.00 H new ATOM 0 HA MET C 80 88.992 -5.660 -3.171 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.501 -3.875 -3.823 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.054 -3.536 -2.163 1.00 0.00 H new ATOM 0 HG2 MET C 80 88.898 -2.215 -1.825 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.977 -3.398 -2.538 1.00 0.00 H new ATOM 0 HE1 MET C 80 88.086 0.287 -4.391 1.00 0.00 H new ATOM 0 HE2 MET C 80 87.161 -0.803 -3.332 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.647 -0.029 -2.732 1.00 0.00 H new ATOM 1222 N MET C 81 88.491 -4.648 -0.046 1.00 0.00 N ATOM 1223 CA MET C 81 89.145 -4.497 1.251 1.00 0.00 C ATOM 1224 C MET C 81 89.969 -5.738 1.579 1.00 0.00 C ATOM 1225 O MET C 81 91.199 -5.692 1.619 1.00 0.00 O ATOM 1226 CB MET C 81 88.105 -4.282 2.353 1.00 0.00 C ATOM 1227 CG MET C 81 88.201 -2.846 2.872 1.00 0.00 C ATOM 1228 SD MET C 81 86.857 -1.858 2.169 1.00 0.00 S ATOM 1229 CE MET C 81 87.681 -1.428 0.616 1.00 0.00 C ATOM 0 H MET C 81 87.517 -4.345 -0.071 1.00 0.00 H new ATOM 0 HA MET C 81 89.802 -3.629 1.198 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.104 -4.474 1.966 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.272 -4.986 3.168 1.00 0.00 H new ATOM 0 HG2 MET C 81 88.142 -2.837 3.960 1.00 0.00 H new ATOM 0 HG3 MET C 81 89.164 -2.414 2.601 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.492 -0.380 0.382 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.754 -1.590 0.717 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.294 -2.055 -0.187 1.00 0.00 H new ATOM 1239 N VAL C 82 89.276 -6.847 1.813 1.00 0.00 N ATOM 1240 CA VAL C 82 89.949 -8.102 2.138 1.00 0.00 C ATOM 1241 C VAL C 82 91.173 -8.296 1.248 1.00 0.00 C ATOM 1242 O VAL C 82 92.159 -8.915 1.649 1.00 0.00 O ATOM 1243 CB VAL C 82 89.001 -9.288 1.945 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.538 -10.501 2.708 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.613 -8.927 2.478 1.00 0.00 C ATOM 0 H VAL C 82 88.258 -6.904 1.785 1.00 0.00 H new ATOM 0 HA VAL C 82 90.260 -8.054 3.182 1.00 0.00 H new ATOM 0 HB VAL C 82 88.932 -9.526 0.884 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.863 -11.345 2.570 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.526 -10.761 2.329 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.608 -10.262 3.769 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.939 -9.772 2.340 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.682 -8.687 3.539 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.228 -8.064 1.935 1.00 0.00 H new ATOM 1255 N ARG C 83 91.098 -7.759 0.033 1.00 0.00 N ATOM 1256 CA ARG C 83 92.205 -7.878 -0.913 1.00 0.00 C ATOM 1257 C ARG C 83 93.457 -7.205 -0.357 1.00 0.00 C ATOM 1258 O ARG C 83 94.550 -7.769 -0.395 1.00 0.00 O ATOM 1259 CB ARG C 83 91.841 -7.224 -2.248 1.00 0.00 C ATOM 1260 CG ARG C 83 92.594 -7.921 -3.383 1.00 0.00 C ATOM 1261 CD ARG C 83 91.589 -8.540 -4.356 1.00 0.00 C ATOM 1262 NE ARG C 83 91.719 -7.944 -5.683 1.00 0.00 N ATOM 1263 CZ ARG C 83 90.804 -8.159 -6.624 1.00 0.00 C ATOM 1264 NH1 ARG C 83 89.771 -8.914 -6.369 1.00 0.00 N ATOM 1265 NH2 ARG C 83 90.939 -7.615 -7.803 1.00 0.00 N ATOM 0 H ARG C 83 90.291 -7.242 -0.318 1.00 0.00 H new ATOM 0 HA ARG C 83 92.401 -8.939 -1.069 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.766 -7.291 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.095 -6.164 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.229 -7.206 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG C 83 93.249 -8.693 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG C 83 91.751 -9.616 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG C 83 90.576 -8.391 -3.983 1.00 0.00 H new ATOM 0 HE ARG C 83 92.524 -7.354 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.665 -9.339 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG C 83 89.069 -9.079 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG C 83 91.747 -7.025 -8.003 1.00 0.00 H new ATOM 0 HH22 ARG C 83 90.237 -7.780 -8.524 1.00 0.00 H new ATOM 1279 N CYS C 84 93.283 -5.991 0.158 1.00 0.00 N ATOM 1280 CA CYS C 84 94.407 -5.245 0.718 1.00 0.00 C ATOM 1281 C CYS C 84 94.630 -5.627 2.178 1.00 0.00 C ATOM 1282 O CYS C 84 95.751 -5.576 2.684 1.00 0.00 O ATOM 1283 CB CYS C 84 94.145 -3.740 0.634 1.00 0.00 C ATOM 1284 SG CYS C 84 93.721 -3.295 -1.068 1.00 0.00 S ATOM 0 H CYS C 84 92.386 -5.507 0.200 1.00 0.00 H new ATOM 0 HA CYS C 84 95.296 -5.494 0.138 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.333 -3.463 1.306 1.00 0.00 H new ATOM 0 HB3 CYS C 84 95.028 -3.188 0.956 1.00 0.00 H new ATOM 0 HG CYS C 84 93.496 -2.017 -1.139 1.00 0.00 H new ATOM 1290 N MET C 85 93.547 -6.009 2.849 1.00 0.00 N ATOM 1291 CA MET C 85 93.631 -6.397 4.254 1.00 0.00 C ATOM 1292 C MET C 85 94.916 -7.176 4.520 1.00 0.00 C ATOM 1293 O MET C 85 95.551 -7.014 5.561 1.00 0.00 O ATOM 1294 CB MET C 85 92.433 -7.263 4.645 1.00 0.00 C ATOM 1295 CG MET C 85 91.171 -6.401 4.677 1.00 0.00 C ATOM 1296 SD MET C 85 91.377 -5.077 5.893 1.00 0.00 S ATOM 1297 CE MET C 85 90.099 -3.977 5.239 1.00 0.00 C ATOM 0 H MET C 85 92.610 -6.058 2.448 1.00 0.00 H new ATOM 0 HA MET C 85 93.630 -5.486 4.852 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.312 -8.078 3.932 1.00 0.00 H new ATOM 0 HB3 MET C 85 92.602 -7.716 5.622 1.00 0.00 H new ATOM 0 HG2 MET C 85 90.982 -5.977 3.691 1.00 0.00 H new ATOM 0 HG3 MET C 85 90.306 -7.013 4.933 1.00 0.00 H new ATOM 0 HE1 MET C 85 90.012 -3.099 5.879 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.369 -3.665 4.230 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.145 -4.503 5.213 1.00 0.00 H new ATOM 1307 N LYS C 86 95.292 -8.024 3.565 1.00 0.00 N ATOM 1308 CA LYS C 86 96.505 -8.824 3.709 1.00 0.00 C ATOM 1309 C LYS C 86 97.695 -8.103 3.086 1.00 0.00 C ATOM 1310 O LYS C 86 98.238 -8.533 2.069 1.00 0.00 O ATOM 1311 CB LYS C 86 96.339 -10.183 3.027 1.00 0.00 C ATOM 1312 CG LYS C 86 94.889 -10.649 3.161 1.00 0.00 C ATOM 1313 CD LYS C 86 94.500 -10.685 4.640 1.00 0.00 C ATOM 1314 CE LYS C 86 95.009 -11.983 5.272 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.323 -12.201 6.576 1.00 0.00 N ATOM 0 H LYS C 86 94.782 -8.174 2.695 1.00 0.00 H new ATOM 0 HA LYS C 86 96.682 -8.972 4.774 1.00 0.00 H new ATOM 0 HB2 LYS C 86 96.612 -10.109 1.974 1.00 0.00 H new ATOM 0 HB3 LYS C 86 97.010 -10.913 3.480 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.227 -9.975 2.616 1.00 0.00 H new ATOM 0 HG3 LYS C 86 94.771 -11.638 2.719 1.00 0.00 H new ATOM 0 HD2 LYS C 86 94.923 -9.825 5.159 1.00 0.00 H new ATOM 0 HD3 LYS C 86 93.417 -10.618 4.744 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.820 -12.824 4.604 1.00 0.00 H new ATOM 0 HE3 LYS C 86 96.088 -11.930 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 94.668 -13.083 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 94.525 -11.403 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 93.297 -12.270 6.421 1.00 0.00 H new ATOM 1392 N ILE I 148 92.684 -0.758 5.123 1.00 0.00 N ATOM 1393 CA ILE I 148 92.406 0.639 5.448 1.00 0.00 C ATOM 1394 C ILE I 148 92.143 0.798 6.942 1.00 0.00 C ATOM 1395 O ILE I 148 92.368 1.864 7.515 1.00 0.00 O ATOM 1396 CB ILE I 148 91.183 1.138 4.677 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.417 0.960 3.175 1.00 0.00 C ATOM 1398 CG2 ILE I 148 90.956 2.620 4.983 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.226 1.531 2.403 1.00 0.00 C ATOM 0 HA ILE I 148 93.280 1.226 5.165 1.00 0.00 H new ATOM 0 HB ILE I 148 90.307 0.565 4.979 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.335 1.467 2.876 1.00 0.00 H new ATOM 0 HG13 ILE I 148 91.545 -0.096 2.939 1.00 0.00 H new ATOM 0 HG21 ILE I 148 90.084 2.976 4.434 1.00 0.00 H new ATOM 0 HG22 ILE I 148 90.788 2.749 6.052 1.00 0.00 H new ATOM 0 HG23 ILE I 148 91.833 3.192 4.681 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.392 1.405 1.333 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.317 1.004 2.694 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.119 2.592 2.631 1.00 0.00 H new ATOM 1411 N SER I 149 91.661 -0.278 7.562 1.00 0.00 N ATOM 1412 CA SER I 149 91.361 -0.263 8.994 1.00 0.00 C ATOM 1413 C SER I 149 89.938 0.231 9.244 1.00 0.00 C ATOM 1414 O SER I 149 89.234 -0.282 10.112 1.00 0.00 O ATOM 1415 CB SER I 149 92.340 0.639 9.747 1.00 0.00 C ATOM 1416 OG SER I 149 92.489 0.163 11.078 1.00 0.00 O ATOM 0 H SER I 149 91.471 -1.167 7.099 1.00 0.00 H new ATOM 0 HA SER I 149 91.459 -1.285 9.359 1.00 0.00 H new ATOM 0 HB2 SER I 149 93.306 0.648 9.242 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.974 1.666 9.755 1.00 0.00 H new ATOM 0 HG SER I 149 93.117 0.738 11.563 1.00 0.00 H new ATOM 1422 N ALA I 150 89.526 1.236 8.474 1.00 0.00 N ATOM 1423 CA ALA I 150 88.185 1.799 8.619 1.00 0.00 C ATOM 1424 C ALA I 150 88.159 2.848 9.728 1.00 0.00 C ATOM 1425 O ALA I 150 87.161 3.541 9.922 1.00 0.00 O ATOM 1426 CB ALA I 150 87.173 0.700 8.950 1.00 0.00 C ATOM 0 H ALA I 150 90.095 1.674 7.750 1.00 0.00 H new ATOM 0 HA ALA I 150 87.916 2.267 7.672 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.181 1.139 9.054 1.00 0.00 H new ATOM 0 HB2 ALA I 150 87.161 -0.038 8.148 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.455 0.215 9.884 1.00 0.00 H new ATOM 1432 N ASP I 151 89.268 2.957 10.455 1.00 0.00 N ATOM 1433 CA ASP I 151 89.362 3.925 11.543 1.00 0.00 C ATOM 1434 C ASP I 151 88.794 5.274 11.112 1.00 0.00 C ATOM 1435 O ASP I 151 87.920 5.836 11.771 1.00 0.00 O ATOM 1436 CB ASP I 151 90.821 4.114 11.962 1.00 0.00 C ATOM 1437 CG ASP I 151 91.135 3.201 13.142 1.00 0.00 C ATOM 1438 OD1 ASP I 151 90.199 2.710 13.752 1.00 0.00 O ATOM 1439 OD2 ASP I 151 92.307 3.007 13.419 1.00 0.00 O ATOM 0 H ASP I 151 90.106 2.393 10.312 1.00 0.00 H new ATOM 0 HA ASP I 151 88.785 3.541 12.384 1.00 0.00 H new ATOM 0 HB2 ASP I 151 91.483 3.886 11.126 1.00 0.00 H new ATOM 0 HB3 ASP I 151 91.000 5.154 12.236 1.00 0.00 H new ATOM 1444 N ALA I 152 89.306 5.787 9.996 1.00 0.00 N ATOM 1445 CA ALA I 152 88.849 7.075 9.480 1.00 0.00 C ATOM 1446 C ALA I 152 87.472 6.937 8.840 1.00 0.00 C ATOM 1447 O ALA I 152 86.704 7.896 8.771 1.00 0.00 O ATOM 1448 CB ALA I 152 89.832 7.614 8.436 1.00 0.00 C ATOM 0 H ALA I 152 90.030 5.336 9.436 1.00 0.00 H new ATOM 0 HA ALA I 152 88.791 7.770 10.318 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.476 8.574 8.062 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.813 7.744 8.893 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.908 6.908 7.609 1.00 0.00 H new ATOM 1454 N MET I 153 87.171 5.731 8.368 1.00 0.00 N ATOM 1455 CA MET I 153 85.884 5.473 7.726 1.00 0.00 C ATOM 1456 C MET I 153 84.746 5.561 8.737 1.00 0.00 C ATOM 1457 O MET I 153 83.599 5.825 8.376 1.00 0.00 O ATOM 1458 CB MET I 153 85.874 4.081 7.091 1.00 0.00 C ATOM 1459 CG MET I 153 84.677 3.960 6.144 1.00 0.00 C ATOM 1460 SD MET I 153 84.331 2.211 5.831 1.00 0.00 S ATOM 1461 CE MET I 153 85.354 2.040 4.349 1.00 0.00 C ATOM 0 H MET I 153 87.793 4.924 8.416 1.00 0.00 H new ATOM 0 HA MET I 153 85.741 6.230 6.955 1.00 0.00 H new ATOM 0 HB2 MET I 153 86.802 3.912 6.545 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.817 3.317 7.866 1.00 0.00 H new ATOM 0 HG2 MET I 153 83.803 4.442 6.582 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.888 4.474 5.206 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.914 1.294 3.687 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.408 2.998 3.832 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.358 1.725 4.634 1.00 0.00 H new ATOM 1471 N MET I 154 85.068 5.332 10.007 1.00 0.00 N ATOM 1472 CA MET I 154 84.052 5.384 11.055 1.00 0.00 C ATOM 1473 C MET I 154 83.584 6.818 11.285 1.00 0.00 C ATOM 1474 O MET I 154 82.538 7.053 11.890 1.00 0.00 O ATOM 1475 CB MET I 154 84.596 4.817 12.368 1.00 0.00 C ATOM 1476 CG MET I 154 83.589 3.818 12.943 1.00 0.00 C ATOM 1477 SD MET I 154 84.469 2.373 13.588 1.00 0.00 S ATOM 1478 CE MET I 154 83.128 1.176 13.369 1.00 0.00 C ATOM 0 H MET I 154 86.009 5.112 10.333 1.00 0.00 H new ATOM 0 HA MET I 154 83.208 4.779 10.725 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.554 4.327 12.196 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.773 5.623 13.080 1.00 0.00 H new ATOM 0 HG2 MET I 154 83.009 4.287 13.737 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.883 3.512 12.171 1.00 0.00 H new ATOM 0 HE1 MET I 154 82.776 0.841 14.345 1.00 0.00 H new ATOM 0 HE2 MET I 154 82.306 1.645 12.828 1.00 0.00 H new ATOM 0 HE3 MET I 154 83.494 0.320 12.802 1.00 0.00 H new ATOM 1488 N GLN I 155 84.366 7.775 10.795 1.00 0.00 N ATOM 1489 CA GLN I 155 84.013 9.184 10.954 1.00 0.00 C ATOM 1490 C GLN I 155 82.757 9.508 10.150 1.00 0.00 C ATOM 1491 O GLN I 155 81.878 10.238 10.609 1.00 0.00 O ATOM 1492 CB GLN I 155 85.158 10.084 10.481 1.00 0.00 C ATOM 1493 CG GLN I 155 85.428 11.162 11.533 1.00 0.00 C ATOM 1494 CD GLN I 155 85.974 10.512 12.800 1.00 0.00 C ATOM 1495 OE1 GLN I 155 85.318 10.520 13.842 1.00 0.00 O ATOM 1496 NE2 GLN I 155 87.149 9.944 12.774 1.00 0.00 N ATOM 0 H GLN I 155 85.237 7.606 10.291 1.00 0.00 H new ATOM 0 HA GLN I 155 83.827 9.368 12.012 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.057 9.490 10.315 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.901 10.547 9.528 1.00 0.00 H new ATOM 0 HG2 GLN I 155 86.142 11.890 11.148 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.510 11.705 11.757 1.00 0.00 H new ATOM 0 HE21 GLN I 155 87.693 9.937 11.911 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.523 9.507 13.616 1.00 0.00 H new ATOM 1505 N ALA I 156 82.682 8.952 8.943 1.00 0.00 N ATOM 1506 CA ALA I 156 81.528 9.180 8.075 1.00 0.00 C ATOM 1507 C ALA I 156 80.406 8.197 8.399 1.00 0.00 C ATOM 1508 O ALA I 156 79.309 8.284 7.847 1.00 0.00 O ATOM 1509 CB ALA I 156 81.925 9.017 6.607 1.00 0.00 C ATOM 0 H ALA I 156 83.399 8.345 8.546 1.00 0.00 H new ATOM 0 HA ALA I 156 81.176 10.197 8.248 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.055 9.190 5.973 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.704 9.738 6.359 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.299 8.007 6.441 1.00 0.00 H new ATOM 1515 N LEU I 157 80.693 7.259 9.298 1.00 0.00 N ATOM 1516 CA LEU I 157 79.701 6.262 9.687 1.00 0.00 C ATOM 1517 C LEU I 157 79.126 6.597 11.059 1.00 0.00 C ATOM 1518 O LEU I 157 78.895 5.714 11.886 1.00 0.00 O ATOM 1519 CB LEU I 157 80.341 4.871 9.737 1.00 0.00 C ATOM 1520 CG LEU I 157 80.445 4.285 8.322 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.847 5.376 7.323 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.504 3.181 8.311 1.00 0.00 C ATOM 0 H LEU I 157 81.595 7.169 9.766 1.00 0.00 H new ATOM 0 HA LEU I 157 78.900 6.268 8.947 1.00 0.00 H new ATOM 0 HB2 LEU I 157 81.332 4.935 10.186 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.746 4.211 10.369 1.00 0.00 H new ATOM 0 HG LEU I 157 79.475 3.878 8.035 1.00 0.00 H new ATOM 0 HD11 LEU I 157 80.917 4.946 6.324 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.097 6.167 7.326 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.814 5.792 7.608 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.582 2.761 7.308 1.00 0.00 H new ATOM 0 HD22 LEU I 157 82.467 3.598 8.606 1.00 0.00 H new ATOM 0 HD23 LEU I 157 81.219 2.396 9.011 1.00 0.00 H new