USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 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: A 69 SER OG : rot -104:sc= 1.21 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00722) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -137:sc= 0.0575 (180deg=0.00649) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 0.174 (180deg=0.115) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 16 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.3) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= -0.367 (180deg=-2.96!) USER MOD Single : A 18 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 14:sc= 0.302 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.47 USER MOD Single : A 45 MET CE :methyl -160:sc= -3.24 (180deg=-4.24) USER MOD Single : A 47 MET CE :methyl -127:sc= 0 (180deg=-0.11) USER MOD Single : A 50 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.4) USER MOD Single : A 51 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.77) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 58 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.6!) USER MOD Single : A 60 MET CE :methyl -140:sc= -0.129 (180deg=-0.806) USER MOD Single : A 80 MET CE :methyl 145:sc= -1.54 (180deg=-2.1) USER MOD Single : A 81 MET CE :methyl 173:sc= -1.04 (180deg=-1.2) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 7.810 -4.126 -5.984 1.00 15.41 N ATOM 62 CA TYR A 5 6.739 -4.150 -6.973 1.00 51.24 C ATOM 63 C TYR A 5 6.734 -2.869 -7.802 1.00 13.42 C ATOM 64 O TYR A 5 6.589 -2.905 -9.024 1.00 23.51 O ATOM 65 CB TYR A 5 5.385 -4.331 -6.286 1.00 34.31 C ATOM 66 CG TYR A 5 5.202 -5.695 -5.659 1.00 54.00 C ATOM 67 CD1 TYR A 5 5.625 -6.845 -6.314 1.00 2.14 C ATOM 68 CD2 TYR A 5 4.606 -5.833 -4.411 1.00 70.22 C ATOM 69 CE1 TYR A 5 5.459 -8.093 -5.745 1.00 2.22 C ATOM 70 CE2 TYR A 5 4.437 -7.077 -3.834 1.00 63.01 C ATOM 71 CZ TYR A 5 4.865 -8.204 -4.505 1.00 1.30 C ATOM 72 OH TYR A 5 4.699 -9.445 -3.934 1.00 43.24 O ATOM 0 HA TYR A 5 6.915 -4.993 -7.641 1.00 51.24 H new ATOM 0 HB2 TYR A 5 5.273 -3.568 -5.516 1.00 34.31 H new ATOM 0 HB3 TYR A 5 4.592 -4.166 -7.015 1.00 34.31 H new ATOM 0 HD1 TYR A 5 6.092 -6.762 -7.284 1.00 2.14 H new ATOM 0 HD2 TYR A 5 4.269 -4.953 -3.883 1.00 70.22 H new ATOM 0 HE1 TYR A 5 5.793 -8.977 -6.268 1.00 2.22 H new ATOM 0 HE2 TYR A 5 3.972 -7.167 -2.863 1.00 63.01 H new ATOM 0 HH TYR A 5 4.266 -9.348 -3.060 1.00 43.24 H new ATOM 82 N LYS A 6 6.893 -1.735 -7.127 1.00 70.11 N ATOM 83 CA LYS A 6 6.909 -0.441 -7.798 1.00 2.40 C ATOM 84 C LYS A 6 8.134 -0.310 -8.698 1.00 54.32 C ATOM 85 O LYS A 6 8.080 0.334 -9.746 1.00 15.15 O ATOM 86 CB LYS A 6 6.897 0.691 -6.768 1.00 20.02 C ATOM 87 CG LYS A 6 8.250 0.943 -6.125 1.00 31.21 C ATOM 88 CD LYS A 6 9.035 2.005 -6.876 1.00 0.24 C ATOM 89 CE LYS A 6 10.534 1.781 -6.753 1.00 4.11 C ATOM 90 NZ LYS A 6 11.276 3.063 -6.602 1.00 3.44 N ATOM 0 H LYS A 6 7.013 -1.687 -6.115 1.00 70.11 H new ATOM 0 HA LYS A 6 6.015 -0.370 -8.418 1.00 2.40 H new ATOM 0 HB2 LYS A 6 6.558 1.607 -7.251 1.00 20.02 H new ATOM 0 HB3 LYS A 6 6.172 0.454 -5.989 1.00 20.02 H new ATOM 0 HG2 LYS A 6 8.110 1.257 -5.091 1.00 31.21 H new ATOM 0 HG3 LYS A 6 8.821 0.015 -6.102 1.00 31.21 H new ATOM 0 HD2 LYS A 6 8.750 1.994 -7.928 1.00 0.24 H new ATOM 0 HD3 LYS A 6 8.780 2.991 -6.487 1.00 0.24 H new ATOM 0 HE2 LYS A 6 10.736 1.141 -5.894 1.00 4.11 H new ATOM 0 HE3 LYS A 6 10.896 1.254 -7.636 1.00 4.11 H new ATOM 0 HZ1 LYS A 6 12.248 2.867 -6.287 1.00 3.44 H new ATOM 0 HZ2 LYS A 6 11.302 3.559 -7.516 1.00 3.44 H new ATOM 0 HZ3 LYS A 6 10.798 3.660 -5.898 1.00 3.44 H new ATOM 104 N ALA A 7 9.236 -0.926 -8.284 1.00 11.55 N ATOM 105 CA ALA A 7 10.472 -0.880 -9.054 1.00 62.44 C ATOM 106 C ALA A 7 10.335 -1.660 -10.358 1.00 1.31 C ATOM 107 O ALA A 7 11.083 -1.434 -11.309 1.00 11.33 O ATOM 108 CB ALA A 7 11.628 -1.426 -8.230 1.00 25.41 C ATOM 0 H ALA A 7 9.298 -1.463 -7.419 1.00 11.55 H new ATOM 0 HA ALA A 7 10.678 0.161 -9.303 1.00 62.44 H new ATOM 0 HB1 ALA A 7 12.545 -1.386 -8.818 1.00 25.41 H new ATOM 0 HB2 ALA A 7 11.748 -0.825 -7.329 1.00 25.41 H new ATOM 0 HB3 ALA A 7 11.421 -2.459 -7.952 1.00 25.41 H new ATOM 114 N ALA A 8 9.375 -2.578 -10.395 1.00 24.34 N ATOM 115 CA ALA A 8 9.140 -3.390 -11.582 1.00 60.21 C ATOM 116 C ALA A 8 8.319 -2.626 -12.615 1.00 71.54 C ATOM 117 O ALA A 8 8.626 -2.649 -13.807 1.00 71.44 O ATOM 118 CB ALA A 8 8.441 -4.688 -11.204 1.00 42.12 C ATOM 0 H ALA A 8 8.747 -2.778 -9.616 1.00 24.34 H new ATOM 0 HA ALA A 8 10.106 -3.627 -12.027 1.00 60.21 H new ATOM 0 HB1 ALA A 8 8.272 -5.285 -12.100 1.00 42.12 H new ATOM 0 HB2 ALA A 8 9.065 -5.248 -10.508 1.00 42.12 H new ATOM 0 HB3 ALA A 8 7.485 -4.462 -10.733 1.00 42.12 H new ATOM 124 N VAL A 9 7.273 -1.951 -12.151 1.00 54.40 N ATOM 125 CA VAL A 9 6.407 -1.179 -13.035 1.00 61.32 C ATOM 126 C VAL A 9 7.111 0.078 -13.533 1.00 15.41 C ATOM 127 O VAL A 9 6.880 0.527 -14.655 1.00 71.12 O ATOM 128 CB VAL A 9 5.099 -0.777 -12.329 1.00 73.21 C ATOM 129 CG1 VAL A 9 4.179 -1.980 -12.183 1.00 40.11 C ATOM 130 CG2 VAL A 9 5.395 -0.155 -10.973 1.00 41.42 C ATOM 0 H VAL A 9 7.004 -1.923 -11.167 1.00 54.40 H new ATOM 0 HA VAL A 9 6.170 -1.820 -13.884 1.00 61.32 H new ATOM 0 HB VAL A 9 4.590 -0.033 -12.942 1.00 73.21 H new ATOM 0 HG11 VAL A 9 3.260 -1.676 -11.682 1.00 40.11 H new ATOM 0 HG12 VAL A 9 3.940 -2.377 -13.170 1.00 40.11 H new ATOM 0 HG13 VAL A 9 4.677 -2.749 -11.593 1.00 40.11 H new ATOM 0 HG21 VAL A 9 4.459 0.123 -10.488 1.00 41.42 H new ATOM 0 HG22 VAL A 9 5.926 -0.875 -10.351 1.00 41.42 H new ATOM 0 HG23 VAL A 9 6.012 0.733 -11.107 1.00 41.42 H new ATOM 140 N GLU A 10 7.970 0.642 -12.690 1.00 12.23 N ATOM 141 CA GLU A 10 8.707 1.849 -13.045 1.00 0.22 C ATOM 142 C GLU A 10 9.777 1.546 -14.090 1.00 34.30 C ATOM 143 O GLU A 10 10.191 2.427 -14.842 1.00 2.31 O ATOM 144 CB GLU A 10 9.353 2.463 -11.801 1.00 43.22 C ATOM 145 CG GLU A 10 10.675 1.818 -11.421 1.00 4.22 C ATOM 146 CD GLU A 10 11.274 2.413 -10.161 1.00 52.30 C ATOM 147 OE1 GLU A 10 10.641 3.316 -9.573 1.00 70.44 O ATOM 148 OE2 GLU A 10 12.374 1.977 -9.763 1.00 1.50 O ATOM 0 H GLU A 10 8.173 0.283 -11.757 1.00 12.23 H new ATOM 0 HA GLU A 10 8.001 2.563 -13.469 1.00 0.22 H new ATOM 0 HB2 GLU A 10 9.514 3.527 -11.973 1.00 43.22 H new ATOM 0 HB3 GLU A 10 8.662 2.376 -10.963 1.00 43.22 H new ATOM 0 HG2 GLU A 10 10.525 0.748 -11.277 1.00 4.22 H new ATOM 0 HG3 GLU A 10 11.381 1.933 -12.244 1.00 4.22 H new ATOM 155 N GLN A 11 10.218 0.293 -14.129 1.00 64.24 N ATOM 156 CA GLN A 11 11.240 -0.127 -15.081 1.00 44.30 C ATOM 157 C GLN A 11 10.607 -0.638 -16.371 1.00 14.14 C ATOM 158 O GLN A 11 11.306 -1.028 -17.306 1.00 61.24 O ATOM 159 CB GLN A 11 12.123 -1.214 -14.467 1.00 25.32 C ATOM 160 CG GLN A 11 11.698 -2.626 -14.839 1.00 0.52 C ATOM 161 CD GLN A 11 12.521 -3.687 -14.137 1.00 22.43 C ATOM 162 OE1 GLN A 11 12.858 -3.551 -12.960 1.00 62.02 O ATOM 163 NE2 GLN A 11 12.850 -4.754 -14.856 1.00 73.02 N ATOM 0 H GLN A 11 9.884 -0.449 -13.513 1.00 64.24 H new ATOM 0 HA GLN A 11 11.856 0.740 -15.319 1.00 44.30 H new ATOM 0 HB2 GLN A 11 13.153 -1.057 -14.787 1.00 25.32 H new ATOM 0 HB3 GLN A 11 12.108 -1.113 -13.382 1.00 25.32 H new ATOM 0 HG2 GLN A 11 10.646 -2.763 -14.588 1.00 0.52 H new ATOM 0 HG3 GLN A 11 11.788 -2.756 -15.917 1.00 0.52 H new ATOM 0 HE21 GLN A 11 12.550 -4.826 -15.828 1.00 73.02 H new ATOM 0 HE22 GLN A 11 13.403 -5.501 -14.436 1.00 73.02 H new ATOM 172 N LEU A 12 9.279 -0.634 -16.413 1.00 51.44 N ATOM 173 CA LEU A 12 8.550 -1.097 -17.589 1.00 32.22 C ATOM 174 C LEU A 12 8.762 -0.154 -18.768 1.00 41.25 C ATOM 175 O LEU A 12 9.421 0.879 -18.641 1.00 53.05 O ATOM 176 CB LEU A 12 7.057 -1.212 -17.275 1.00 0.20 C ATOM 177 CG LEU A 12 6.637 -2.423 -16.441 1.00 45.02 C ATOM 178 CD1 LEU A 12 5.142 -2.391 -16.169 1.00 33.22 C ATOM 179 CD2 LEU A 12 7.026 -3.715 -17.145 1.00 31.21 C ATOM 0 H LEU A 12 8.685 -0.316 -15.647 1.00 51.44 H new ATOM 0 HA LEU A 12 8.935 -2.080 -17.861 1.00 32.22 H new ATOM 0 HB2 LEU A 12 6.746 -0.309 -16.750 1.00 0.20 H new ATOM 0 HB3 LEU A 12 6.509 -1.237 -18.217 1.00 0.20 H new ATOM 0 HG LEU A 12 7.160 -2.382 -15.485 1.00 45.02 H new ATOM 0 HD11 LEU A 12 4.862 -3.260 -15.574 1.00 33.22 H new ATOM 0 HD12 LEU A 12 4.891 -1.482 -15.623 1.00 33.22 H new ATOM 0 HD13 LEU A 12 4.600 -2.408 -17.114 1.00 33.22 H new ATOM 0 HD21 LEU A 12 6.720 -4.567 -16.538 1.00 31.21 H new ATOM 0 HD22 LEU A 12 6.531 -3.764 -18.115 1.00 31.21 H new ATOM 0 HD23 LEU A 12 8.106 -3.741 -17.287 1.00 31.21 H new ATOM 191 N THR A 13 8.198 -0.514 -19.917 1.00 71.41 N ATOM 192 CA THR A 13 8.324 0.300 -21.119 1.00 61.33 C ATOM 193 C THR A 13 7.075 1.144 -21.345 1.00 4.41 C ATOM 194 O THR A 13 6.000 0.825 -20.839 1.00 40.12 O ATOM 195 CB THR A 13 8.572 -0.572 -22.365 1.00 23.13 C ATOM 196 OG1 THR A 13 8.667 0.254 -23.530 1.00 43.32 O ATOM 197 CG2 THR A 13 7.454 -1.587 -22.546 1.00 71.23 C ATOM 0 H THR A 13 7.649 -1.365 -20.040 1.00 71.41 H new ATOM 0 HA THR A 13 9.181 0.957 -20.967 1.00 61.33 H new ATOM 0 HB THR A 13 9.510 -1.110 -22.224 1.00 23.13 H new ATOM 0 HG1 THR A 13 8.826 -0.308 -24.317 1.00 43.32 H new ATOM 0 HG21 THR A 13 7.651 -2.191 -23.432 1.00 71.23 H new ATOM 0 HG22 THR A 13 7.404 -2.233 -21.670 1.00 71.23 H new ATOM 0 HG23 THR A 13 6.505 -1.065 -22.666 1.00 71.23 H new ATOM 205 N GLU A 14 7.226 2.223 -22.108 1.00 34.42 N ATOM 206 CA GLU A 14 6.108 3.113 -22.400 1.00 22.15 C ATOM 207 C GLU A 14 4.935 2.337 -22.992 1.00 41.52 C ATOM 208 O GLU A 14 3.775 2.637 -22.711 1.00 62.11 O ATOM 209 CB GLU A 14 6.545 4.216 -23.366 1.00 31.01 C ATOM 210 CG GLU A 14 7.698 5.058 -22.847 1.00 44.01 C ATOM 211 CD GLU A 14 7.662 6.482 -23.368 1.00 31.30 C ATOM 212 OE1 GLU A 14 7.196 6.683 -24.509 1.00 52.40 O ATOM 213 OE2 GLU A 14 8.099 7.393 -22.636 1.00 2.45 O ATOM 0 H GLU A 14 8.110 2.501 -22.534 1.00 34.42 H new ATOM 0 HA GLU A 14 5.784 3.568 -21.464 1.00 22.15 H new ATOM 0 HB2 GLU A 14 6.835 3.763 -24.314 1.00 31.01 H new ATOM 0 HB3 GLU A 14 5.694 4.866 -23.570 1.00 31.01 H new ATOM 0 HG2 GLU A 14 7.670 5.073 -21.757 1.00 44.01 H new ATOM 0 HG3 GLU A 14 8.641 4.593 -23.135 1.00 44.01 H new ATOM 220 N GLU A 15 5.247 1.340 -23.814 1.00 43.31 N ATOM 221 CA GLU A 15 4.219 0.523 -24.447 1.00 41.15 C ATOM 222 C GLU A 15 3.435 -0.269 -23.405 1.00 53.31 C ATOM 223 O GLU A 15 2.228 -0.470 -23.543 1.00 4.32 O ATOM 224 CB GLU A 15 4.849 -0.433 -25.462 1.00 65.20 C ATOM 225 CG GLU A 15 5.856 0.235 -26.384 1.00 75.43 C ATOM 226 CD GLU A 15 6.335 -0.686 -27.490 1.00 35.23 C ATOM 227 OE1 GLU A 15 6.004 -1.890 -27.443 1.00 43.10 O ATOM 228 OE2 GLU A 15 7.039 -0.204 -28.401 1.00 23.03 O ATOM 0 H GLU A 15 6.203 1.079 -24.057 1.00 43.31 H new ATOM 0 HA GLU A 15 3.530 1.190 -24.966 1.00 41.15 H new ATOM 0 HB2 GLU A 15 5.342 -1.245 -24.927 1.00 65.20 H new ATOM 0 HB3 GLU A 15 4.059 -0.882 -26.065 1.00 65.20 H new ATOM 0 HG2 GLU A 15 5.405 1.123 -26.826 1.00 75.43 H new ATOM 0 HG3 GLU A 15 6.712 0.570 -25.799 1.00 75.43 H new ATOM 235 N GLN A 16 4.130 -0.715 -22.364 1.00 35.32 N ATOM 236 CA GLN A 16 3.499 -1.486 -21.299 1.00 34.11 C ATOM 237 C GLN A 16 2.484 -0.637 -20.540 1.00 70.12 C ATOM 238 O GLN A 16 1.380 -1.091 -20.238 1.00 63.40 O ATOM 239 CB GLN A 16 4.557 -2.022 -20.333 1.00 74.30 C ATOM 240 CG GLN A 16 5.155 -3.352 -20.763 1.00 33.11 C ATOM 241 CD GLN A 16 4.733 -4.499 -19.866 1.00 1.14 C ATOM 242 OE1 GLN A 16 3.681 -4.449 -19.228 1.00 74.24 O ATOM 243 NE2 GLN A 16 5.554 -5.541 -19.811 1.00 3.00 N ATOM 0 H GLN A 16 5.129 -0.556 -22.235 1.00 35.32 H new ATOM 0 HA GLN A 16 2.974 -2.326 -21.755 1.00 34.11 H new ATOM 0 HB2 GLN A 16 5.356 -1.287 -20.239 1.00 74.30 H new ATOM 0 HB3 GLN A 16 4.111 -2.136 -19.345 1.00 74.30 H new ATOM 0 HG2 GLN A 16 4.853 -3.567 -21.788 1.00 33.11 H new ATOM 0 HG3 GLN A 16 6.242 -3.275 -20.761 1.00 33.11 H new ATOM 0 HE21 GLN A 16 6.416 -5.541 -20.357 1.00 3.00 H new ATOM 0 HE22 GLN A 16 5.323 -6.342 -19.223 1.00 3.00 H new ATOM 252 N LYS A 17 2.865 0.599 -20.234 1.00 72.44 N ATOM 253 CA LYS A 17 1.989 1.513 -19.511 1.00 72.15 C ATOM 254 C LYS A 17 0.787 1.904 -20.365 1.00 52.02 C ATOM 255 O LYS A 17 -0.257 2.294 -19.843 1.00 25.20 O ATOM 256 CB LYS A 17 2.760 2.767 -19.093 1.00 30.33 C ATOM 257 CG LYS A 17 3.083 2.815 -17.609 1.00 53.23 C ATOM 258 CD LYS A 17 3.886 1.601 -17.173 1.00 51.34 C ATOM 259 CE LYS A 17 4.258 1.679 -15.700 1.00 74.55 C ATOM 260 NZ LYS A 17 3.067 1.927 -14.840 1.00 65.44 N ATOM 0 H LYS A 17 3.775 0.991 -20.476 1.00 72.44 H new ATOM 0 HA LYS A 17 1.628 1.001 -18.619 1.00 72.15 H new ATOM 0 HB2 LYS A 17 3.689 2.818 -19.661 1.00 30.33 H new ATOM 0 HB3 LYS A 17 2.176 3.648 -19.358 1.00 30.33 H new ATOM 0 HG2 LYS A 17 3.645 3.722 -17.387 1.00 53.23 H new ATOM 0 HG3 LYS A 17 2.157 2.865 -17.036 1.00 53.23 H new ATOM 0 HD2 LYS A 17 3.307 0.696 -17.356 1.00 51.34 H new ATOM 0 HD3 LYS A 17 4.792 1.527 -17.775 1.00 51.34 H new ATOM 0 HE2 LYS A 17 4.738 0.748 -15.397 1.00 74.55 H new ATOM 0 HE3 LYS A 17 4.986 2.476 -15.551 1.00 74.55 H new ATOM 0 HZ1 LYS A 17 3.139 1.355 -13.974 1.00 65.44 H new ATOM 0 HZ2 LYS A 17 3.026 2.935 -14.586 1.00 65.44 H new ATOM 0 HZ3 LYS A 17 2.204 1.665 -15.358 1.00 65.44 H new ATOM 274 N ASN A 18 0.941 1.796 -21.681 1.00 31.31 N ATOM 275 CA ASN A 18 -0.133 2.138 -22.607 1.00 22.51 C ATOM 276 C ASN A 18 -1.322 1.198 -22.432 1.00 20.04 C ATOM 277 O ASN A 18 -2.452 1.642 -22.234 1.00 53.55 O ATOM 278 CB ASN A 18 0.372 2.076 -24.050 1.00 55.41 C ATOM 279 CG ASN A 18 0.535 3.453 -24.664 1.00 54.24 C ATOM 280 OD1 ASN A 18 0.635 4.454 -23.954 1.00 70.05 O ATOM 281 ND2 ASN A 18 0.562 3.510 -25.991 1.00 35.31 N ATOM 0 H ASN A 18 1.799 1.475 -22.130 1.00 31.31 H new ATOM 0 HA ASN A 18 -0.460 3.154 -22.386 1.00 22.51 H new ATOM 0 HB2 ASN A 18 1.329 1.554 -24.075 1.00 55.41 H new ATOM 0 HB3 ASN A 18 -0.325 1.493 -24.652 1.00 55.41 H new ATOM 0 HD21 ASN A 18 0.669 4.409 -26.461 1.00 35.31 H new ATOM 0 HD22 ASN A 18 0.476 2.655 -26.540 1.00 35.31 H new ATOM 288 N GLU A 19 -1.057 -0.103 -22.505 1.00 14.24 N ATOM 289 CA GLU A 19 -2.106 -1.105 -22.354 1.00 52.42 C ATOM 290 C GLU A 19 -2.659 -1.105 -20.932 1.00 4.53 C ATOM 291 O GLU A 19 -3.840 -1.372 -20.713 1.00 14.34 O ATOM 292 CB GLU A 19 -1.569 -2.494 -22.704 1.00 52.14 C ATOM 293 CG GLU A 19 -0.820 -3.162 -21.564 1.00 34.42 C ATOM 294 CD GLU A 19 0.166 -4.207 -22.047 1.00 23.50 C ATOM 295 OE1 GLU A 19 0.829 -3.965 -23.078 1.00 33.42 O ATOM 296 OE2 GLU A 19 0.276 -5.267 -21.395 1.00 41.22 O ATOM 0 H GLU A 19 -0.126 -0.487 -22.668 1.00 14.24 H new ATOM 0 HA GLU A 19 -2.915 -0.852 -23.039 1.00 52.42 H new ATOM 0 HB2 GLU A 19 -2.401 -3.131 -23.003 1.00 52.14 H new ATOM 0 HB3 GLU A 19 -0.905 -2.411 -23.565 1.00 52.14 H new ATOM 0 HG2 GLU A 19 -0.288 -2.403 -20.990 1.00 34.42 H new ATOM 0 HG3 GLU A 19 -1.536 -3.629 -20.888 1.00 34.42 H new ATOM 303 N PHE A 20 -1.795 -0.804 -19.968 1.00 3.52 N ATOM 304 CA PHE A 20 -2.195 -0.770 -18.566 1.00 24.02 C ATOM 305 C PHE A 20 -3.166 0.377 -18.305 1.00 35.03 C ATOM 306 O PHE A 20 -4.077 0.260 -17.485 1.00 14.03 O ATOM 307 CB PHE A 20 -0.965 -0.626 -17.666 1.00 72.52 C ATOM 308 CG PHE A 20 -0.285 -1.932 -17.368 1.00 43.13 C ATOM 309 CD1 PHE A 20 -1.013 -3.020 -16.913 1.00 45.34 C ATOM 310 CD2 PHE A 20 1.083 -2.072 -17.544 1.00 15.52 C ATOM 311 CE1 PHE A 20 -0.389 -4.222 -16.638 1.00 5.32 C ATOM 312 CE2 PHE A 20 1.712 -3.271 -17.270 1.00 70.32 C ATOM 313 CZ PHE A 20 0.975 -4.348 -16.818 1.00 21.14 C ATOM 0 H PHE A 20 -0.813 -0.580 -20.132 1.00 3.52 H new ATOM 0 HA PHE A 20 -2.698 -1.709 -18.335 1.00 24.02 H new ATOM 0 HB2 PHE A 20 -0.252 0.045 -18.144 1.00 72.52 H new ATOM 0 HB3 PHE A 20 -1.264 -0.158 -16.728 1.00 72.52 H new ATOM 0 HD1 PHE A 20 -2.080 -2.927 -16.772 1.00 45.34 H new ATOM 0 HD2 PHE A 20 1.664 -1.234 -17.900 1.00 15.52 H new ATOM 0 HE1 PHE A 20 -0.967 -5.062 -16.283 1.00 5.32 H new ATOM 0 HE2 PHE A 20 2.779 -3.366 -17.409 1.00 70.32 H new ATOM 0 HZ PHE A 20 1.464 -5.287 -16.606 1.00 21.14 H new ATOM 323 N LYS A 21 -2.966 1.486 -19.008 1.00 5.32 N ATOM 324 CA LYS A 21 -3.823 2.656 -18.854 1.00 62.25 C ATOM 325 C LYS A 21 -5.107 2.498 -19.662 1.00 15.24 C ATOM 326 O LYS A 21 -6.176 2.939 -19.238 1.00 24.52 O ATOM 327 CB LYS A 21 -3.081 3.919 -19.298 1.00 32.04 C ATOM 328 CG LYS A 21 -3.624 5.193 -18.674 1.00 52.35 C ATOM 329 CD LYS A 21 -2.504 6.113 -18.220 1.00 5.21 C ATOM 330 CE LYS A 21 -2.245 7.219 -19.231 1.00 55.35 C ATOM 331 NZ LYS A 21 -1.645 8.424 -18.595 1.00 1.11 N ATOM 0 H LYS A 21 -2.217 1.600 -19.691 1.00 5.32 H new ATOM 0 HA LYS A 21 -4.086 2.748 -17.800 1.00 62.25 H new ATOM 0 HB2 LYS A 21 -2.026 3.820 -19.042 1.00 32.04 H new ATOM 0 HB3 LYS A 21 -3.139 4.002 -20.383 1.00 32.04 H new ATOM 0 HG2 LYS A 21 -4.253 5.713 -19.396 1.00 52.35 H new ATOM 0 HG3 LYS A 21 -4.257 4.941 -17.823 1.00 52.35 H new ATOM 0 HD2 LYS A 21 -2.761 6.553 -17.256 1.00 5.21 H new ATOM 0 HD3 LYS A 21 -1.593 5.533 -18.073 1.00 5.21 H new ATOM 0 HE2 LYS A 21 -1.578 6.850 -20.010 1.00 55.35 H new ATOM 0 HE3 LYS A 21 -3.181 7.493 -19.717 1.00 55.35 H new ATOM 0 HZ1 LYS A 21 -1.484 9.154 -19.318 1.00 1.11 H new ATOM 0 HZ2 LYS A 21 -2.292 8.792 -17.869 1.00 1.11 H new ATOM 0 HZ3 LYS A 21 -0.739 8.169 -18.153 1.00 1.11 H new ATOM 345 N ALA A 22 -4.996 1.866 -20.825 1.00 50.55 N ATOM 346 CA ALA A 22 -6.149 1.648 -21.690 1.00 13.04 C ATOM 347 C ALA A 22 -7.085 0.597 -21.102 1.00 24.14 C ATOM 348 O ALA A 22 -8.276 0.845 -20.920 1.00 72.20 O ATOM 349 CB ALA A 22 -5.695 1.234 -23.081 1.00 71.34 C ATOM 0 H ALA A 22 -4.119 1.496 -21.191 1.00 50.55 H new ATOM 0 HA ALA A 22 -6.699 2.586 -21.764 1.00 13.04 H new ATOM 0 HB1 ALA A 22 -6.567 1.075 -23.716 1.00 71.34 H new ATOM 0 HB2 ALA A 22 -5.073 2.020 -23.509 1.00 71.34 H new ATOM 0 HB3 ALA A 22 -5.120 0.310 -23.016 1.00 71.34 H new ATOM 355 N ALA A 23 -6.537 -0.577 -20.807 1.00 23.43 N ATOM 356 CA ALA A 23 -7.322 -1.666 -20.238 1.00 12.41 C ATOM 357 C ALA A 23 -8.066 -1.210 -18.987 1.00 74.02 C ATOM 358 O ALA A 23 -9.175 -1.668 -18.711 1.00 31.42 O ATOM 359 CB ALA A 23 -6.426 -2.852 -19.918 1.00 23.50 C ATOM 0 H ALA A 23 -5.552 -0.799 -20.953 1.00 23.43 H new ATOM 0 HA ALA A 23 -8.061 -1.973 -20.978 1.00 12.41 H new ATOM 0 HB1 ALA A 23 -7.026 -3.657 -19.494 1.00 23.50 H new ATOM 0 HB2 ALA A 23 -5.944 -3.201 -20.831 1.00 23.50 H new ATOM 0 HB3 ALA A 23 -5.665 -2.549 -19.199 1.00 23.50 H new ATOM 365 N PHE A 24 -7.449 -0.306 -18.234 1.00 14.23 N ATOM 366 CA PHE A 24 -8.053 0.211 -17.011 1.00 31.52 C ATOM 367 C PHE A 24 -9.259 1.090 -17.329 1.00 21.13 C ATOM 368 O PHE A 24 -10.293 1.006 -16.667 1.00 14.44 O ATOM 369 CB PHE A 24 -7.024 1.008 -16.206 1.00 73.42 C ATOM 370 CG PHE A 24 -7.615 1.736 -15.033 1.00 23.45 C ATOM 371 CD1 PHE A 24 -7.812 1.086 -13.825 1.00 70.50 C ATOM 372 CD2 PHE A 24 -7.973 3.070 -15.137 1.00 41.01 C ATOM 373 CE1 PHE A 24 -8.355 1.753 -12.743 1.00 22.41 C ATOM 374 CE2 PHE A 24 -8.516 3.742 -14.058 1.00 44.34 C ATOM 375 CZ PHE A 24 -8.708 3.083 -12.860 1.00 60.43 C ATOM 0 H PHE A 24 -6.531 0.084 -18.449 1.00 14.23 H new ATOM 0 HA PHE A 24 -8.391 -0.637 -16.416 1.00 31.52 H new ATOM 0 HB2 PHE A 24 -6.249 0.330 -15.850 1.00 73.42 H new ATOM 0 HB3 PHE A 24 -6.539 1.729 -16.864 1.00 73.42 H new ATOM 0 HD1 PHE A 24 -7.538 0.046 -13.728 1.00 70.50 H new ATOM 0 HD2 PHE A 24 -7.826 3.591 -16.072 1.00 41.01 H new ATOM 0 HE1 PHE A 24 -8.503 1.235 -11.807 1.00 22.41 H new ATOM 0 HE2 PHE A 24 -8.790 4.782 -14.152 1.00 44.34 H new ATOM 0 HZ PHE A 24 -9.133 3.606 -12.016 1.00 60.43 H new ATOM 385 N ASP A 25 -9.117 1.933 -18.346 1.00 20.42 N ATOM 386 CA ASP A 25 -10.194 2.828 -18.753 1.00 62.30 C ATOM 387 C ASP A 25 -11.376 2.039 -19.307 1.00 31.31 C ATOM 388 O ASP A 25 -12.529 2.445 -19.159 1.00 73.53 O ATOM 389 CB ASP A 25 -9.691 3.821 -19.802 1.00 71.20 C ATOM 390 CG ASP A 25 -10.496 5.105 -19.816 1.00 10.42 C ATOM 391 OD1 ASP A 25 -10.263 5.962 -18.937 1.00 31.54 O ATOM 392 OD2 ASP A 25 -11.358 5.255 -20.706 1.00 54.13 O ATOM 0 H ASP A 25 -8.267 2.015 -18.904 1.00 20.42 H new ATOM 0 HA ASP A 25 -10.528 3.378 -17.873 1.00 62.30 H new ATOM 0 HB2 ASP A 25 -8.644 4.054 -19.605 1.00 71.20 H new ATOM 0 HB3 ASP A 25 -9.735 3.357 -20.787 1.00 71.20 H new ATOM 397 N ILE A 26 -11.081 0.911 -19.945 1.00 55.21 N ATOM 398 CA ILE A 26 -12.120 0.066 -20.521 1.00 31.13 C ATOM 399 C ILE A 26 -12.955 -0.598 -19.431 1.00 62.40 C ATOM 400 O ILE A 26 -14.144 -0.859 -19.617 1.00 24.22 O ATOM 401 CB ILE A 26 -11.520 -1.024 -21.428 1.00 72.13 C ATOM 402 CG1 ILE A 26 -10.808 -0.388 -22.624 1.00 54.21 C ATOM 403 CG2 ILE A 26 -12.607 -1.979 -21.899 1.00 31.03 C ATOM 404 CD1 ILE A 26 -10.175 -1.396 -23.557 1.00 22.34 C ATOM 0 H ILE A 26 -10.132 0.561 -20.076 1.00 55.21 H new ATOM 0 HA ILE A 26 -12.759 0.715 -21.120 1.00 31.13 H new ATOM 0 HB ILE A 26 -10.788 -1.592 -20.853 1.00 72.13 H new ATOM 0 HG12 ILE A 26 -11.523 0.214 -23.184 1.00 54.21 H new ATOM 0 HG13 ILE A 26 -10.037 0.291 -22.259 1.00 54.21 H new ATOM 0 HG21 ILE A 26 -12.167 -2.744 -22.539 1.00 31.03 H new ATOM 0 HG22 ILE A 26 -13.074 -2.453 -21.036 1.00 31.03 H new ATOM 0 HG23 ILE A 26 -13.360 -1.425 -22.460 1.00 31.03 H new ATOM 0 HD11 ILE A 26 -9.689 -0.874 -24.381 1.00 22.34 H new ATOM 0 HD12 ILE A 26 -9.435 -1.982 -23.012 1.00 22.34 H new ATOM 0 HD13 ILE A 26 -10.944 -2.060 -23.952 1.00 22.34 H new ATOM 416 N PHE A 27 -12.325 -0.868 -18.293 1.00 23.35 N ATOM 417 CA PHE A 27 -13.009 -1.502 -17.171 1.00 53.44 C ATOM 418 C PHE A 27 -13.846 -0.485 -16.401 1.00 15.11 C ATOM 419 O PHE A 27 -14.958 -0.783 -15.963 1.00 25.34 O ATOM 420 CB PHE A 27 -11.995 -2.160 -16.233 1.00 54.14 C ATOM 421 CG PHE A 27 -11.582 -3.536 -16.669 1.00 65.41 C ATOM 422 CD1 PHE A 27 -11.134 -3.763 -17.961 1.00 32.43 C ATOM 423 CD2 PHE A 27 -11.639 -4.603 -15.787 1.00 32.31 C ATOM 424 CE1 PHE A 27 -10.754 -5.029 -18.364 1.00 64.32 C ATOM 425 CE2 PHE A 27 -11.259 -5.871 -16.185 1.00 34.43 C ATOM 426 CZ PHE A 27 -10.815 -6.084 -17.475 1.00 30.32 C ATOM 0 H PHE A 27 -11.342 -0.658 -18.123 1.00 23.35 H new ATOM 0 HA PHE A 27 -13.674 -2.268 -17.569 1.00 53.44 H new ATOM 0 HB2 PHE A 27 -11.110 -1.528 -16.166 1.00 54.14 H new ATOM 0 HB3 PHE A 27 -12.422 -2.217 -15.232 1.00 54.14 H new ATOM 0 HD1 PHE A 27 -11.081 -2.942 -18.660 1.00 32.43 H new ATOM 0 HD2 PHE A 27 -11.984 -4.442 -14.776 1.00 32.31 H new ATOM 0 HE1 PHE A 27 -10.409 -5.193 -19.374 1.00 64.32 H new ATOM 0 HE2 PHE A 27 -11.309 -6.694 -15.488 1.00 34.43 H new ATOM 0 HZ PHE A 27 -10.516 -7.073 -17.788 1.00 30.32 H new ATOM 436 N VAL A 28 -13.304 0.718 -16.239 1.00 54.10 N ATOM 437 CA VAL A 28 -14.000 1.780 -15.522 1.00 73.01 C ATOM 438 C VAL A 28 -14.957 2.529 -16.443 1.00 32.12 C ATOM 439 O VAL A 28 -15.564 3.526 -16.048 1.00 21.52 O ATOM 440 CB VAL A 28 -13.008 2.784 -14.905 1.00 35.44 C ATOM 441 CG1 VAL A 28 -12.008 2.065 -14.012 1.00 42.32 C ATOM 442 CG2 VAL A 28 -12.295 3.568 -15.996 1.00 35.51 C ATOM 0 H VAL A 28 -12.385 0.981 -16.595 1.00 54.10 H new ATOM 0 HA VAL A 28 -14.568 1.303 -14.723 1.00 73.01 H new ATOM 0 HB VAL A 28 -13.567 3.490 -14.290 1.00 35.44 H new ATOM 0 HG11 VAL A 28 -11.315 2.790 -13.585 1.00 42.32 H new ATOM 0 HG12 VAL A 28 -12.539 1.554 -13.209 1.00 42.32 H new ATOM 0 HG13 VAL A 28 -11.452 1.336 -14.602 1.00 42.32 H new ATOM 0 HG21 VAL A 28 -11.598 4.272 -15.542 1.00 35.51 H new ATOM 0 HG22 VAL A 28 -11.747 2.880 -16.640 1.00 35.51 H new ATOM 0 HG23 VAL A 28 -13.028 4.114 -16.590 1.00 35.51 H new ATOM 452 N LEU A 29 -15.089 2.043 -17.672 1.00 64.20 N ATOM 453 CA LEU A 29 -15.973 2.666 -18.651 1.00 31.23 C ATOM 454 C LEU A 29 -17.378 2.838 -18.083 1.00 33.22 C ATOM 455 O LEU A 29 -18.115 3.737 -18.485 1.00 14.14 O ATOM 456 CB LEU A 29 -16.026 1.825 -19.927 1.00 50.15 C ATOM 457 CG LEU A 29 -15.179 2.327 -21.097 1.00 63.12 C ATOM 458 CD1 LEU A 29 -15.307 1.391 -22.289 1.00 43.22 C ATOM 459 CD2 LEU A 29 -15.585 3.742 -21.482 1.00 12.03 C ATOM 0 H LEU A 29 -14.595 1.219 -18.015 1.00 64.20 H new ATOM 0 HA LEU A 29 -15.574 3.652 -18.889 1.00 31.23 H new ATOM 0 HB2 LEU A 29 -15.709 0.811 -19.683 1.00 50.15 H new ATOM 0 HB3 LEU A 29 -17.064 1.764 -20.255 1.00 50.15 H new ATOM 0 HG LEU A 29 -14.135 2.343 -20.784 1.00 63.12 H new ATOM 0 HD11 LEU A 29 -14.697 1.764 -23.112 1.00 43.22 H new ATOM 0 HD12 LEU A 29 -14.966 0.395 -22.008 1.00 43.22 H new ATOM 0 HD13 LEU A 29 -16.350 1.342 -22.603 1.00 43.22 H new ATOM 0 HD21 LEU A 29 -14.971 4.082 -22.316 1.00 12.03 H new ATOM 0 HD22 LEU A 29 -16.635 3.752 -21.776 1.00 12.03 H new ATOM 0 HD23 LEU A 29 -15.440 4.407 -20.630 1.00 12.03 H new ATOM 471 N GLY A 30 -17.742 1.970 -17.144 1.00 31.34 N ATOM 472 CA GLY A 30 -19.057 2.044 -16.534 1.00 41.00 C ATOM 473 C GLY A 30 -19.073 2.915 -15.294 1.00 4.23 C ATOM 474 O GLY A 30 -20.118 3.436 -14.906 1.00 31.53 O ATOM 0 H GLY A 30 -17.150 1.217 -16.795 1.00 31.34 H new ATOM 0 HA2 GLY A 30 -19.769 2.437 -17.260 1.00 41.00 H new ATOM 0 HA3 GLY A 30 -19.390 1.039 -16.273 1.00 41.00 H new ATOM 478 N ALA A 31 -17.910 3.073 -14.669 1.00 13.41 N ATOM 479 CA ALA A 31 -17.795 3.888 -13.465 1.00 64.35 C ATOM 480 C ALA A 31 -17.882 5.373 -13.797 1.00 55.44 C ATOM 481 O ALA A 31 -17.761 5.767 -14.957 1.00 3.42 O ATOM 482 CB ALA A 31 -16.490 3.582 -12.745 1.00 2.20 C ATOM 0 H ALA A 31 -17.035 2.648 -14.976 1.00 13.41 H new ATOM 0 HA ALA A 31 -18.628 3.641 -12.807 1.00 64.35 H new ATOM 0 HB1 ALA A 31 -16.416 4.197 -11.848 1.00 2.20 H new ATOM 0 HB2 ALA A 31 -16.467 2.529 -12.466 1.00 2.20 H new ATOM 0 HB3 ALA A 31 -15.650 3.801 -13.405 1.00 2.20 H new ATOM 488 N GLU A 32 -18.095 6.193 -12.772 1.00 72.33 N ATOM 489 CA GLU A 32 -18.201 7.635 -12.957 1.00 41.23 C ATOM 490 C GLU A 32 -16.955 8.344 -12.434 1.00 23.41 C ATOM 491 O GLU A 32 -16.502 9.333 -13.010 1.00 63.43 O ATOM 492 CB GLU A 32 -19.444 8.173 -12.245 1.00 43.43 C ATOM 493 CG GLU A 32 -19.537 7.759 -10.786 1.00 44.13 C ATOM 494 CD GLU A 32 -20.701 8.413 -10.067 1.00 45.02 C ATOM 495 OE1 GLU A 32 -20.646 9.640 -9.843 1.00 12.12 O ATOM 496 OE2 GLU A 32 -21.666 7.697 -9.729 1.00 72.31 O ATOM 0 H GLU A 32 -18.197 5.883 -11.806 1.00 72.33 H new ATOM 0 HA GLU A 32 -18.289 7.833 -14.025 1.00 41.23 H new ATOM 0 HB2 GLU A 32 -19.445 9.261 -12.306 1.00 43.43 H new ATOM 0 HB3 GLU A 32 -20.333 7.824 -12.770 1.00 43.43 H new ATOM 0 HG2 GLU A 32 -19.640 6.676 -10.726 1.00 44.13 H new ATOM 0 HG3 GLU A 32 -18.608 8.020 -10.278 1.00 44.13 H new ATOM 503 N ASP A 33 -16.406 7.831 -11.338 1.00 73.52 N ATOM 504 CA ASP A 33 -15.212 8.413 -10.736 1.00 73.33 C ATOM 505 C ASP A 33 -13.951 7.891 -11.418 1.00 1.43 C ATOM 506 O ASP A 33 -12.955 8.604 -11.532 1.00 1.43 O ATOM 507 CB ASP A 33 -15.165 8.100 -9.240 1.00 32.41 C ATOM 508 CG ASP A 33 -15.962 9.092 -8.416 1.00 24.25 C ATOM 509 OD1 ASP A 33 -15.974 10.287 -8.776 1.00 55.12 O ATOM 510 OD2 ASP A 33 -16.571 8.673 -7.409 1.00 54.10 O ATOM 0 H ASP A 33 -16.769 7.013 -10.848 1.00 73.52 H new ATOM 0 HA ASP A 33 -15.256 9.494 -10.871 1.00 73.33 H new ATOM 0 HB2 ASP A 33 -15.553 7.096 -9.069 1.00 32.41 H new ATOM 0 HB3 ASP A 33 -14.128 8.103 -8.904 1.00 32.41 H new ATOM 515 N GLY A 34 -14.001 6.641 -11.868 1.00 51.43 N ATOM 516 CA GLY A 34 -12.856 6.045 -12.531 1.00 50.34 C ATOM 517 C GLY A 34 -12.222 4.940 -11.711 1.00 23.20 C ATOM 518 O GLY A 34 -11.007 4.927 -11.509 1.00 22.32 O ATOM 0 H GLY A 34 -14.814 6.031 -11.785 1.00 51.43 H new ATOM 0 HA2 GLY A 34 -13.167 5.645 -13.496 1.00 50.34 H new ATOM 0 HA3 GLY A 34 -12.113 6.817 -12.731 1.00 50.34 H new ATOM 522 N CYS A 35 -13.044 4.011 -11.236 1.00 54.40 N ATOM 523 CA CYS A 35 -12.557 2.898 -10.430 1.00 63.53 C ATOM 524 C CYS A 35 -13.353 1.629 -10.718 1.00 33.03 C ATOM 525 O CYS A 35 -14.341 1.658 -11.452 1.00 34.21 O ATOM 526 CB CYS A 35 -12.642 3.242 -8.943 1.00 24.54 C ATOM 527 SG CYS A 35 -11.409 4.444 -8.392 1.00 11.34 S ATOM 0 H CYS A 35 -14.051 4.007 -11.395 1.00 54.40 H new ATOM 0 HA CYS A 35 -11.515 2.719 -10.694 1.00 63.53 H new ATOM 0 HB2 CYS A 35 -13.636 3.633 -8.728 1.00 24.54 H new ATOM 0 HB3 CYS A 35 -12.527 2.327 -8.362 1.00 24.54 H new ATOM 0 HG CYS A 35 -10.862 5.010 -9.427 1.00 11.34 H new ATOM 533 N ILE A 36 -12.916 0.517 -10.136 1.00 1.53 N ATOM 534 CA ILE A 36 -13.588 -0.761 -10.330 1.00 30.30 C ATOM 535 C ILE A 36 -14.010 -1.368 -8.996 1.00 74.44 C ATOM 536 O ILE A 36 -13.175 -1.644 -8.136 1.00 23.32 O ATOM 537 CB ILE A 36 -12.687 -1.764 -11.075 1.00 43.50 C ATOM 538 CG1 ILE A 36 -12.275 -1.198 -12.436 1.00 23.41 C ATOM 539 CG2 ILE A 36 -13.402 -3.096 -11.243 1.00 50.31 C ATOM 540 CD1 ILE A 36 -10.778 -1.055 -12.603 1.00 11.25 C ATOM 0 H ILE A 36 -12.099 0.476 -9.526 1.00 1.53 H new ATOM 0 HA ILE A 36 -14.474 -0.563 -10.933 1.00 30.30 H new ATOM 0 HB ILE A 36 -11.787 -1.930 -10.484 1.00 43.50 H new ATOM 0 HG12 ILE A 36 -12.660 -1.848 -13.222 1.00 23.41 H new ATOM 0 HG13 ILE A 36 -12.742 -0.223 -12.571 1.00 23.41 H new ATOM 0 HG21 ILE A 36 -12.752 -3.794 -11.771 1.00 50.31 H new ATOM 0 HG22 ILE A 36 -13.650 -3.502 -10.262 1.00 50.31 H new ATOM 0 HG23 ILE A 36 -14.317 -2.948 -11.816 1.00 50.31 H new ATOM 0 HD11 ILE A 36 -10.559 -0.648 -13.590 1.00 11.25 H new ATOM 0 HD12 ILE A 36 -10.389 -0.382 -11.839 1.00 11.25 H new ATOM 0 HD13 ILE A 36 -10.305 -2.032 -12.500 1.00 11.25 H new ATOM 552 N SER A 37 -15.313 -1.576 -8.833 1.00 51.30 N ATOM 553 CA SER A 37 -15.848 -2.149 -7.603 1.00 44.13 C ATOM 554 C SER A 37 -15.881 -3.672 -7.684 1.00 31.14 C ATOM 555 O SER A 37 -16.125 -4.245 -8.746 1.00 53.01 O ATOM 556 CB SER A 37 -17.254 -1.610 -7.334 1.00 22.04 C ATOM 557 OG SER A 37 -17.927 -1.311 -8.545 1.00 25.45 O ATOM 0 H SER A 37 -16.018 -1.356 -9.537 1.00 51.30 H new ATOM 0 HA SER A 37 -15.193 -1.860 -6.781 1.00 44.13 H new ATOM 0 HB2 SER A 37 -17.826 -2.345 -6.768 1.00 22.04 H new ATOM 0 HB3 SER A 37 -17.191 -0.713 -6.718 1.00 22.04 H new ATOM 0 HG SER A 37 -18.824 -0.970 -8.345 1.00 25.45 H new ATOM 563 N THR A 38 -15.634 -4.324 -6.552 1.00 3.24 N ATOM 564 CA THR A 38 -15.634 -5.780 -6.492 1.00 41.02 C ATOM 565 C THR A 38 -16.909 -6.355 -7.099 1.00 2.21 C ATOM 566 O THR A 38 -16.910 -7.465 -7.631 1.00 31.34 O ATOM 567 CB THR A 38 -15.496 -6.283 -5.043 1.00 34.21 C ATOM 568 OG1 THR A 38 -15.831 -7.674 -4.973 1.00 51.33 O ATOM 569 CG2 THR A 38 -16.398 -5.492 -4.107 1.00 40.15 C ATOM 0 H THR A 38 -15.431 -3.866 -5.664 1.00 3.24 H new ATOM 0 HA THR A 38 -14.774 -6.120 -7.070 1.00 41.02 H new ATOM 0 HB THR A 38 -14.461 -6.142 -4.730 1.00 34.21 H new ATOM 0 HG1 THR A 38 -16.346 -7.846 -4.157 1.00 51.33 H new ATOM 0 HG21 THR A 38 -16.283 -5.865 -3.089 1.00 40.15 H new ATOM 0 HG22 THR A 38 -16.122 -4.438 -4.140 1.00 40.15 H new ATOM 0 HG23 THR A 38 -17.436 -5.605 -4.420 1.00 40.15 H new ATOM 577 N LYS A 39 -17.994 -5.592 -7.017 1.00 24.02 N ATOM 578 CA LYS A 39 -19.276 -6.024 -7.560 1.00 11.14 C ATOM 579 C LYS A 39 -19.221 -6.110 -9.082 1.00 34.45 C ATOM 580 O LYS A 39 -19.538 -7.147 -9.665 1.00 13.44 O ATOM 581 CB LYS A 39 -20.385 -5.059 -7.133 1.00 22.45 C ATOM 582 CG LYS A 39 -21.762 -5.698 -7.086 1.00 71.21 C ATOM 583 CD LYS A 39 -22.835 -4.684 -6.727 1.00 32.23 C ATOM 584 CE LYS A 39 -24.222 -5.310 -6.745 1.00 5.33 C ATOM 585 NZ LYS A 39 -24.710 -5.537 -8.133 1.00 45.12 N ATOM 0 H LYS A 39 -18.011 -4.671 -6.579 1.00 24.02 H new ATOM 0 HA LYS A 39 -19.494 -7.016 -7.165 1.00 11.14 H new ATOM 0 HB2 LYS A 39 -20.146 -4.657 -6.148 1.00 22.45 H new ATOM 0 HB3 LYS A 39 -20.408 -4.216 -7.824 1.00 22.45 H new ATOM 0 HG2 LYS A 39 -21.991 -6.144 -8.054 1.00 71.21 H new ATOM 0 HG3 LYS A 39 -21.764 -6.506 -6.355 1.00 71.21 H new ATOM 0 HD2 LYS A 39 -22.633 -4.273 -5.738 1.00 32.23 H new ATOM 0 HD3 LYS A 39 -22.801 -3.852 -7.430 1.00 32.23 H new ATOM 0 HE2 LYS A 39 -24.199 -6.258 -6.208 1.00 5.33 H new ATOM 0 HE3 LYS A 39 -24.920 -4.661 -6.216 1.00 5.33 H new ATOM 0 HZ1 LYS A 39 -25.741 -5.401 -8.165 1.00 45.12 H new ATOM 0 HZ2 LYS A 39 -24.251 -4.862 -8.777 1.00 45.12 H new ATOM 0 HZ3 LYS A 39 -24.480 -6.507 -8.428 1.00 45.12 H new ATOM 599 N GLU A 40 -18.816 -5.016 -9.718 1.00 11.21 N ATOM 600 CA GLU A 40 -18.720 -4.970 -11.172 1.00 41.12 C ATOM 601 C GLU A 40 -17.535 -5.796 -11.665 1.00 74.13 C ATOM 602 O GLU A 40 -17.541 -6.301 -12.789 1.00 20.33 O ATOM 603 CB GLU A 40 -18.581 -3.523 -11.651 1.00 33.31 C ATOM 604 CG GLU A 40 -19.629 -2.588 -11.072 1.00 51.50 C ATOM 605 CD GLU A 40 -21.040 -2.975 -11.469 1.00 34.12 C ATOM 606 OE1 GLU A 40 -21.443 -2.665 -12.609 1.00 52.32 O ATOM 607 OE2 GLU A 40 -21.742 -3.590 -10.638 1.00 0.50 O ATOM 0 H GLU A 40 -18.549 -4.150 -9.250 1.00 11.21 H new ATOM 0 HA GLU A 40 -19.635 -5.395 -11.585 1.00 41.12 H new ATOM 0 HB2 GLU A 40 -17.590 -3.154 -11.385 1.00 33.31 H new ATOM 0 HB3 GLU A 40 -18.648 -3.501 -12.739 1.00 33.31 H new ATOM 0 HG2 GLU A 40 -19.549 -2.587 -9.985 1.00 51.50 H new ATOM 0 HG3 GLU A 40 -19.428 -1.571 -11.407 1.00 51.50 H new ATOM 614 N LEU A 41 -16.521 -5.929 -10.818 1.00 41.11 N ATOM 615 CA LEU A 41 -15.328 -6.693 -11.167 1.00 31.14 C ATOM 616 C LEU A 41 -15.674 -8.158 -11.417 1.00 44.51 C ATOM 617 O LEU A 41 -14.976 -8.853 -12.154 1.00 72.12 O ATOM 618 CB LEU A 41 -14.286 -6.586 -10.052 1.00 33.54 C ATOM 619 CG LEU A 41 -13.034 -7.447 -10.219 1.00 64.10 C ATOM 620 CD1 LEU A 41 -12.499 -7.342 -11.639 1.00 12.51 C ATOM 621 CD2 LEU A 41 -11.967 -7.038 -9.214 1.00 1.40 C ATOM 0 H LEU A 41 -16.501 -5.518 -9.885 1.00 41.11 H new ATOM 0 HA LEU A 41 -14.914 -6.275 -12.084 1.00 31.14 H new ATOM 0 HB2 LEU A 41 -13.978 -5.544 -9.969 1.00 33.54 H new ATOM 0 HB3 LEU A 41 -14.763 -6.853 -9.109 1.00 33.54 H new ATOM 0 HG LEU A 41 -13.304 -8.486 -10.030 1.00 64.10 H new ATOM 0 HD11 LEU A 41 -11.608 -7.962 -11.739 1.00 12.51 H new ATOM 0 HD12 LEU A 41 -13.260 -7.685 -12.341 1.00 12.51 H new ATOM 0 HD13 LEU A 41 -12.246 -6.304 -11.857 1.00 12.51 H new ATOM 0 HD21 LEU A 41 -11.083 -7.662 -9.348 1.00 1.40 H new ATOM 0 HD22 LEU A 41 -11.701 -5.993 -9.371 1.00 1.40 H new ATOM 0 HD23 LEU A 41 -12.352 -7.166 -8.202 1.00 1.40 H new ATOM 633 N GLY A 42 -16.757 -8.619 -10.799 1.00 41.13 N ATOM 634 CA GLY A 42 -17.177 -9.997 -10.970 1.00 35.43 C ATOM 635 C GLY A 42 -17.778 -10.255 -12.337 1.00 75.42 C ATOM 636 O GLY A 42 -17.655 -11.353 -12.881 1.00 43.25 O ATOM 0 H GLY A 42 -17.351 -8.063 -10.183 1.00 41.13 H new ATOM 0 HA2 GLY A 42 -16.321 -10.655 -10.823 1.00 35.43 H new ATOM 0 HA3 GLY A 42 -17.908 -10.249 -10.202 1.00 35.43 H new ATOM 640 N LYS A 43 -18.433 -9.242 -12.895 1.00 33.45 N ATOM 641 CA LYS A 43 -19.057 -9.364 -14.207 1.00 11.51 C ATOM 642 C LYS A 43 -18.005 -9.564 -15.293 1.00 31.11 C ATOM 643 O LYS A 43 -18.202 -10.342 -16.226 1.00 74.32 O ATOM 644 CB LYS A 43 -19.892 -8.118 -14.514 1.00 61.34 C ATOM 645 CG LYS A 43 -21.289 -8.160 -13.920 1.00 22.44 C ATOM 646 CD LYS A 43 -21.275 -7.818 -12.439 1.00 71.31 C ATOM 647 CE LYS A 43 -22.681 -7.590 -11.907 1.00 15.32 C ATOM 648 NZ LYS A 43 -22.674 -6.821 -10.632 1.00 3.53 N ATOM 0 H LYS A 43 -18.545 -8.327 -12.458 1.00 33.45 H new ATOM 0 HA LYS A 43 -19.709 -10.237 -14.193 1.00 11.51 H new ATOM 0 HB2 LYS A 43 -19.371 -7.239 -14.134 1.00 61.34 H new ATOM 0 HB3 LYS A 43 -19.969 -8.000 -15.595 1.00 61.34 H new ATOM 0 HG2 LYS A 43 -21.932 -7.458 -14.451 1.00 22.44 H new ATOM 0 HG3 LYS A 43 -21.716 -9.153 -14.061 1.00 22.44 H new ATOM 0 HD2 LYS A 43 -20.801 -8.626 -11.882 1.00 71.31 H new ATOM 0 HD3 LYS A 43 -20.674 -6.923 -12.277 1.00 71.31 H new ATOM 0 HE2 LYS A 43 -23.268 -7.053 -12.652 1.00 15.32 H new ATOM 0 HE3 LYS A 43 -23.170 -8.551 -11.749 1.00 15.32 H new ATOM 0 HZ1 LYS A 43 -23.350 -7.246 -9.966 1.00 3.53 H new ATOM 0 HZ2 LYS A 43 -21.720 -6.844 -10.218 1.00 3.53 H new ATOM 0 HZ3 LYS A 43 -22.947 -5.835 -10.820 1.00 3.53 H new ATOM 662 N VAL A 44 -16.886 -8.858 -15.164 1.00 70.33 N ATOM 663 CA VAL A 44 -15.802 -8.961 -16.133 1.00 64.14 C ATOM 664 C VAL A 44 -15.202 -10.363 -16.140 1.00 42.42 C ATOM 665 O VAL A 44 -14.669 -10.816 -17.153 1.00 15.20 O ATOM 666 CB VAL A 44 -14.687 -7.939 -15.839 1.00 73.14 C ATOM 667 CG1 VAL A 44 -13.553 -8.083 -16.842 1.00 42.43 C ATOM 668 CG2 VAL A 44 -15.246 -6.524 -15.852 1.00 62.24 C ATOM 0 H VAL A 44 -16.707 -8.209 -14.398 1.00 70.33 H new ATOM 0 HA VAL A 44 -16.231 -8.748 -17.112 1.00 64.14 H new ATOM 0 HB VAL A 44 -14.287 -8.138 -14.845 1.00 73.14 H new ATOM 0 HG11 VAL A 44 -12.775 -7.353 -16.619 1.00 42.43 H new ATOM 0 HG12 VAL A 44 -13.137 -9.088 -16.779 1.00 42.43 H new ATOM 0 HG13 VAL A 44 -13.934 -7.911 -17.849 1.00 42.43 H new ATOM 0 HG21 VAL A 44 -14.445 -5.815 -15.643 1.00 62.24 H new ATOM 0 HG22 VAL A 44 -15.673 -6.310 -16.832 1.00 62.24 H new ATOM 0 HG23 VAL A 44 -16.021 -6.432 -15.091 1.00 62.24 H new ATOM 678 N MET A 45 -15.292 -11.045 -15.003 1.00 52.41 N ATOM 679 CA MET A 45 -14.760 -12.396 -14.879 1.00 23.52 C ATOM 680 C MET A 45 -15.387 -13.325 -15.913 1.00 74.32 C ATOM 681 O MET A 45 -14.688 -14.083 -16.586 1.00 33.21 O ATOM 682 CB MET A 45 -15.010 -12.939 -13.470 1.00 53.24 C ATOM 683 CG MET A 45 -14.597 -11.979 -12.367 1.00 3.30 C ATOM 684 SD MET A 45 -12.881 -11.444 -12.518 1.00 74.13 S ATOM 685 CE MET A 45 -12.080 -12.992 -12.931 1.00 5.33 C ATOM 0 H MET A 45 -15.728 -10.684 -14.155 1.00 52.41 H new ATOM 0 HA MET A 45 -13.686 -12.354 -15.059 1.00 23.52 H new ATOM 0 HB2 MET A 45 -16.070 -13.170 -13.361 1.00 53.24 H new ATOM 0 HB3 MET A 45 -14.465 -13.875 -13.348 1.00 53.24 H new ATOM 0 HG2 MET A 45 -15.249 -11.106 -12.388 1.00 3.30 H new ATOM 0 HG3 MET A 45 -14.740 -12.460 -11.399 1.00 3.30 H new ATOM 0 HE1 MET A 45 -11.015 -12.920 -12.713 1.00 5.33 H new ATOM 0 HE2 MET A 45 -12.518 -13.797 -12.341 1.00 5.33 H new ATOM 0 HE3 MET A 45 -12.220 -13.202 -13.991 1.00 5.33 H new ATOM 695 N ARG A 46 -16.709 -13.261 -16.034 1.00 73.45 N ATOM 696 CA ARG A 46 -17.431 -14.098 -16.986 1.00 24.01 C ATOM 697 C ARG A 46 -16.903 -13.890 -18.402 1.00 42.44 C ATOM 698 O ARG A 46 -17.025 -14.768 -19.256 1.00 45.40 O ATOM 699 CB ARG A 46 -18.928 -13.788 -16.937 1.00 61.14 C ATOM 700 CG ARG A 46 -19.304 -12.490 -17.632 1.00 41.42 C ATOM 701 CD ARG A 46 -20.057 -12.749 -18.928 1.00 2.23 C ATOM 702 NE ARG A 46 -21.249 -13.564 -18.714 1.00 73.41 N ATOM 703 CZ ARG A 46 -21.931 -14.141 -19.697 1.00 61.35 C ATOM 704 NH1 ARG A 46 -21.540 -13.993 -20.956 1.00 23.14 N ATOM 705 NH2 ARG A 46 -23.006 -14.869 -19.423 1.00 52.32 N ATOM 0 H ARG A 46 -17.302 -12.639 -15.485 1.00 73.45 H new ATOM 0 HA ARG A 46 -17.274 -15.140 -16.708 1.00 24.01 H new ATOM 0 HB2 ARG A 46 -19.476 -14.609 -17.399 1.00 61.14 H new ATOM 0 HB3 ARG A 46 -19.246 -13.738 -15.896 1.00 61.14 H new ATOM 0 HG2 ARG A 46 -19.920 -11.885 -16.967 1.00 41.42 H new ATOM 0 HG3 ARG A 46 -18.403 -11.915 -17.843 1.00 41.42 H new ATOM 0 HD2 ARG A 46 -20.344 -11.798 -19.377 1.00 2.23 H new ATOM 0 HD3 ARG A 46 -19.398 -13.250 -19.637 1.00 2.23 H new ATOM 0 HE ARG A 46 -21.576 -13.698 -17.757 1.00 73.41 H new ATOM 0 HH11 ARG A 46 -20.714 -13.435 -21.171 1.00 23.14 H new ATOM 0 HH12 ARG A 46 -22.066 -14.437 -21.709 1.00 23.14 H new ATOM 0 HH21 ARG A 46 -23.310 -14.986 -18.456 1.00 52.32 H new ATOM 0 HH22 ARG A 46 -23.529 -15.311 -20.179 1.00 52.32 H new ATOM 719 N MET A 47 -16.317 -12.721 -18.644 1.00 71.31 N ATOM 720 CA MET A 47 -15.770 -12.398 -19.957 1.00 33.22 C ATOM 721 C MET A 47 -14.548 -13.258 -20.263 1.00 41.32 C ATOM 722 O MET A 47 -14.372 -13.727 -21.389 1.00 15.24 O ATOM 723 CB MET A 47 -15.397 -10.916 -20.027 1.00 23.24 C ATOM 724 CG MET A 47 -16.499 -9.988 -19.544 1.00 34.25 C ATOM 725 SD MET A 47 -16.134 -8.251 -19.860 1.00 64.20 S ATOM 726 CE MET A 47 -16.461 -8.151 -21.618 1.00 60.21 C ATOM 0 H MET A 47 -16.209 -11.983 -17.949 1.00 71.31 H new ATOM 0 HA MET A 47 -16.536 -12.608 -20.704 1.00 33.22 H new ATOM 0 HB2 MET A 47 -14.502 -10.746 -19.428 1.00 23.24 H new ATOM 0 HB3 MET A 47 -15.144 -10.662 -21.056 1.00 23.24 H new ATOM 0 HG2 MET A 47 -17.434 -10.254 -20.037 1.00 34.25 H new ATOM 0 HG3 MET A 47 -16.649 -10.135 -18.474 1.00 34.25 H new ATOM 0 HE1 MET A 47 -15.596 -7.724 -22.125 1.00 60.21 H new ATOM 0 HE2 MET A 47 -16.654 -9.150 -22.010 1.00 60.21 H new ATOM 0 HE3 MET A 47 -17.332 -7.519 -21.791 1.00 60.21 H new ATOM 736 N LEU A 48 -13.705 -13.460 -19.256 1.00 74.23 N ATOM 737 CA LEU A 48 -12.499 -14.264 -19.418 1.00 45.43 C ATOM 738 C LEU A 48 -12.837 -15.750 -19.468 1.00 65.10 C ATOM 739 O LEU A 48 -12.076 -16.552 -20.008 1.00 71.40 O ATOM 740 CB LEU A 48 -11.522 -13.989 -18.274 1.00 2.15 C ATOM 741 CG LEU A 48 -10.941 -12.576 -18.211 1.00 43.15 C ATOM 742 CD1 LEU A 48 -10.498 -12.120 -19.593 1.00 51.41 C ATOM 743 CD2 LEU A 48 -11.958 -11.606 -17.628 1.00 23.12 C ATOM 0 H LEU A 48 -13.835 -13.078 -18.319 1.00 74.23 H new ATOM 0 HA LEU A 48 -12.031 -13.986 -20.362 1.00 45.43 H new ATOM 0 HB2 LEU A 48 -12.031 -14.193 -17.332 1.00 2.15 H new ATOM 0 HB3 LEU A 48 -10.696 -14.696 -18.350 1.00 2.15 H new ATOM 0 HG LEU A 48 -10.068 -12.591 -17.558 1.00 43.15 H new ATOM 0 HD11 LEU A 48 -10.087 -11.112 -19.529 1.00 51.41 H new ATOM 0 HD12 LEU A 48 -9.735 -12.800 -19.973 1.00 51.41 H new ATOM 0 HD13 LEU A 48 -11.354 -12.121 -20.268 1.00 51.41 H new ATOM 0 HD21 LEU A 48 -11.527 -10.606 -17.591 1.00 23.12 H new ATOM 0 HD22 LEU A 48 -12.850 -11.594 -18.255 1.00 23.12 H new ATOM 0 HD23 LEU A 48 -12.227 -11.923 -16.620 1.00 23.12 H new ATOM 755 N GLY A 49 -13.985 -16.110 -18.902 1.00 64.20 N ATOM 756 CA GLY A 49 -14.404 -17.499 -18.895 1.00 35.34 C ATOM 757 C GLY A 49 -14.458 -18.081 -17.496 1.00 32.30 C ATOM 758 O GLY A 49 -14.440 -19.300 -17.323 1.00 44.44 O ATOM 0 H GLY A 49 -14.632 -15.465 -18.449 1.00 64.20 H new ATOM 0 HA2 GLY A 49 -15.388 -17.581 -19.358 1.00 35.34 H new ATOM 0 HA3 GLY A 49 -13.716 -18.086 -19.503 1.00 35.34 H new ATOM 762 N GLN A 50 -14.523 -17.209 -16.496 1.00 13.43 N ATOM 763 CA GLN A 50 -14.577 -17.644 -15.105 1.00 52.21 C ATOM 764 C GLN A 50 -15.673 -16.904 -14.345 1.00 40.21 C ATOM 765 O GLN A 50 -15.907 -15.718 -14.573 1.00 2.34 O ATOM 766 CB GLN A 50 -13.226 -17.417 -14.425 1.00 0.01 C ATOM 767 CG GLN A 50 -12.889 -15.950 -14.216 1.00 0.54 C ATOM 768 CD GLN A 50 -11.403 -15.671 -14.323 1.00 42.14 C ATOM 769 OE1 GLN A 50 -10.713 -15.518 -13.315 1.00 33.24 O ATOM 770 NE2 GLN A 50 -10.900 -15.603 -15.551 1.00 33.23 N ATOM 0 H GLN A 50 -14.540 -16.197 -16.622 1.00 13.43 H new ATOM 0 HA GLN A 50 -14.808 -18.709 -15.093 1.00 52.21 H new ATOM 0 HB2 GLN A 50 -13.225 -17.922 -13.459 1.00 0.01 H new ATOM 0 HB3 GLN A 50 -12.443 -17.879 -15.027 1.00 0.01 H new ATOM 0 HG2 GLN A 50 -13.421 -15.350 -14.954 1.00 0.54 H new ATOM 0 HG3 GLN A 50 -13.244 -15.636 -13.234 1.00 0.54 H new ATOM 0 HE21 GLN A 50 -11.508 -15.736 -16.359 1.00 33.23 H new ATOM 0 HE22 GLN A 50 -9.906 -15.418 -15.685 1.00 33.23 H new ATOM 779 N ASN A 51 -16.342 -17.613 -13.442 1.00 0.13 N ATOM 780 CA ASN A 51 -17.414 -17.023 -12.648 1.00 74.15 C ATOM 781 C ASN A 51 -17.322 -17.469 -11.192 1.00 51.42 C ATOM 782 O ASN A 51 -18.151 -18.233 -10.697 1.00 42.31 O ATOM 783 CB ASN A 51 -18.777 -17.411 -13.227 1.00 1.43 C ATOM 784 CG ASN A 51 -18.881 -18.896 -13.516 1.00 11.32 C ATOM 785 OD1 ASN A 51 -18.256 -19.403 -14.447 1.00 74.33 O ATOM 786 ND2 ASN A 51 -19.674 -19.600 -12.716 1.00 44.21 N ATOM 0 H ASN A 51 -16.161 -18.597 -13.242 1.00 0.13 H new ATOM 0 HA ASN A 51 -17.305 -15.939 -12.684 1.00 74.15 H new ATOM 0 HB2 ASN A 51 -19.561 -17.124 -12.526 1.00 1.43 H new ATOM 0 HB3 ASN A 51 -18.951 -16.852 -14.146 1.00 1.43 H new ATOM 0 HD21 ASN A 51 -19.784 -20.604 -12.861 1.00 44.21 H new ATOM 0 HD22 ASN A 51 -20.173 -19.137 -11.956 1.00 44.21 H new ATOM 793 N PRO A 52 -16.290 -16.980 -10.488 1.00 52.13 N ATOM 794 CA PRO A 52 -16.065 -17.313 -9.078 1.00 54.25 C ATOM 795 C PRO A 52 -17.113 -16.690 -8.162 1.00 23.14 C ATOM 796 O PRO A 52 -17.952 -15.904 -8.603 1.00 61.32 O ATOM 797 CB PRO A 52 -14.683 -16.721 -8.791 1.00 31.55 C ATOM 798 CG PRO A 52 -14.529 -15.619 -9.780 1.00 52.32 C ATOM 799 CD PRO A 52 -15.264 -16.064 -11.014 1.00 61.22 C ATOM 0 HA PRO A 52 -16.130 -18.386 -8.896 1.00 54.25 H new ATOM 0 HB2 PRO A 52 -14.617 -16.348 -7.769 1.00 31.55 H new ATOM 0 HB3 PRO A 52 -13.900 -17.470 -8.908 1.00 31.55 H new ATOM 0 HG2 PRO A 52 -14.943 -14.688 -9.394 1.00 52.32 H new ATOM 0 HG3 PRO A 52 -13.477 -15.434 -9.998 1.00 52.32 H new ATOM 0 HD2 PRO A 52 -15.710 -15.221 -11.542 1.00 61.22 H new ATOM 0 HD3 PRO A 52 -14.600 -16.566 -11.718 1.00 61.22 H new ATOM 807 N THR A 53 -17.058 -17.045 -6.882 1.00 35.44 N ATOM 808 CA THR A 53 -18.003 -16.522 -5.903 1.00 4.15 C ATOM 809 C THR A 53 -17.991 -14.998 -5.888 1.00 3.35 C ATOM 810 O THR A 53 -17.045 -14.356 -6.344 1.00 43.34 O ATOM 811 CB THR A 53 -17.689 -17.040 -4.486 1.00 63.44 C ATOM 812 OG1 THR A 53 -16.297 -17.359 -4.379 1.00 3.44 O ATOM 813 CG2 THR A 53 -18.522 -18.271 -4.164 1.00 31.43 C ATOM 0 H THR A 53 -16.369 -17.692 -6.499 1.00 35.44 H new ATOM 0 HA THR A 53 -18.992 -16.873 -6.199 1.00 4.15 H new ATOM 0 HB THR A 53 -17.938 -16.255 -3.772 1.00 63.44 H new ATOM 0 HG1 THR A 53 -16.105 -17.686 -3.475 1.00 3.44 H new ATOM 0 HG21 THR A 53 -18.283 -18.619 -3.159 1.00 31.43 H new ATOM 0 HG22 THR A 53 -19.581 -18.018 -4.219 1.00 31.43 H new ATOM 0 HG23 THR A 53 -18.299 -19.059 -4.883 1.00 31.43 H new ATOM 821 N PRO A 54 -19.065 -14.402 -5.350 1.00 14.03 N ATOM 822 CA PRO A 54 -19.202 -12.945 -5.261 1.00 64.13 C ATOM 823 C PRO A 54 -18.236 -12.333 -4.253 1.00 3.32 C ATOM 824 O PRO A 54 -17.548 -11.358 -4.553 1.00 3.45 O ATOM 825 CB PRO A 54 -20.649 -12.751 -4.801 1.00 63.44 C ATOM 826 CG PRO A 54 -20.991 -14.013 -4.086 1.00 50.34 C ATOM 827 CD PRO A 54 -20.230 -15.105 -4.786 1.00 11.10 C ATOM 0 HA PRO A 54 -18.973 -12.456 -6.208 1.00 64.13 H new ATOM 0 HB2 PRO A 54 -20.743 -11.886 -4.145 1.00 63.44 H new ATOM 0 HB3 PRO A 54 -21.315 -12.583 -5.648 1.00 63.44 H new ATOM 0 HG2 PRO A 54 -20.710 -13.954 -3.034 1.00 50.34 H new ATOM 0 HG3 PRO A 54 -22.064 -14.202 -4.119 1.00 50.34 H new ATOM 0 HD2 PRO A 54 -19.928 -15.892 -4.094 1.00 11.10 H new ATOM 0 HD3 PRO A 54 -20.830 -15.577 -5.564 1.00 11.10 H new ATOM 835 N GLU A 55 -18.190 -12.912 -3.057 1.00 43.01 N ATOM 836 CA GLU A 55 -17.308 -12.421 -2.005 1.00 24.42 C ATOM 837 C GLU A 55 -15.843 -12.584 -2.403 1.00 13.43 C ATOM 838 O GLU A 55 -14.983 -11.820 -1.966 1.00 11.02 O ATOM 839 CB GLU A 55 -17.577 -13.165 -0.695 1.00 22.01 C ATOM 840 CG GLU A 55 -19.035 -13.139 -0.269 1.00 11.32 C ATOM 841 CD GLU A 55 -19.343 -14.148 0.821 1.00 42.43 C ATOM 842 OE1 GLU A 55 -19.103 -15.353 0.599 1.00 2.30 O ATOM 843 OE2 GLU A 55 -19.824 -13.731 1.895 1.00 4.05 O ATOM 0 H GLU A 55 -18.753 -13.721 -2.793 1.00 43.01 H new ATOM 0 HA GLU A 55 -17.512 -11.360 -1.861 1.00 24.42 H new ATOM 0 HB2 GLU A 55 -17.257 -14.201 -0.803 1.00 22.01 H new ATOM 0 HB3 GLU A 55 -16.968 -12.725 0.095 1.00 22.01 H new ATOM 0 HG2 GLU A 55 -19.289 -12.139 0.084 1.00 11.32 H new ATOM 0 HG3 GLU A 55 -19.666 -13.341 -1.134 1.00 11.32 H new ATOM 850 N GLU A 56 -15.569 -13.584 -3.234 1.00 74.20 N ATOM 851 CA GLU A 56 -14.209 -13.847 -3.690 1.00 34.45 C ATOM 852 C GLU A 56 -13.627 -12.628 -4.398 1.00 53.30 C ATOM 853 O GLU A 56 -12.441 -12.326 -4.265 1.00 5.32 O ATOM 854 CB GLU A 56 -14.187 -15.055 -4.629 1.00 32.34 C ATOM 855 CG GLU A 56 -13.543 -16.289 -4.019 1.00 5.42 C ATOM 856 CD GLU A 56 -12.029 -16.198 -3.983 1.00 33.44 C ATOM 857 OE1 GLU A 56 -11.387 -16.621 -4.967 1.00 3.42 O ATOM 858 OE2 GLU A 56 -11.488 -15.706 -2.971 1.00 23.32 O ATOM 0 H GLU A 56 -16.270 -14.225 -3.605 1.00 74.20 H new ATOM 0 HA GLU A 56 -13.596 -14.064 -2.815 1.00 34.45 H new ATOM 0 HB2 GLU A 56 -15.209 -15.296 -4.921 1.00 32.34 H new ATOM 0 HB3 GLU A 56 -13.650 -14.787 -5.539 1.00 32.34 H new ATOM 0 HG2 GLU A 56 -13.919 -16.428 -3.005 1.00 5.42 H new ATOM 0 HG3 GLU A 56 -13.837 -17.169 -4.591 1.00 5.42 H new ATOM 865 N LEU A 57 -14.470 -11.931 -5.152 1.00 12.42 N ATOM 866 CA LEU A 57 -14.041 -10.743 -5.883 1.00 24.52 C ATOM 867 C LEU A 57 -13.313 -9.770 -4.961 1.00 62.21 C ATOM 868 O LEU A 57 -12.177 -9.379 -5.229 1.00 71.10 O ATOM 869 CB LEU A 57 -15.245 -10.052 -6.525 1.00 23.23 C ATOM 870 CG LEU A 57 -15.673 -10.584 -7.893 1.00 50.51 C ATOM 871 CD1 LEU A 57 -14.537 -10.453 -8.896 1.00 21.54 C ATOM 872 CD2 LEU A 57 -16.128 -12.032 -7.784 1.00 43.34 C ATOM 0 H LEU A 57 -15.455 -12.168 -5.273 1.00 12.42 H new ATOM 0 HA LEU A 57 -13.351 -11.058 -6.666 1.00 24.52 H new ATOM 0 HB2 LEU A 57 -16.092 -10.135 -5.844 1.00 23.23 H new ATOM 0 HB3 LEU A 57 -15.019 -8.990 -6.625 1.00 23.23 H new ATOM 0 HG LEU A 57 -16.513 -9.987 -8.247 1.00 50.51 H new ATOM 0 HD11 LEU A 57 -14.860 -10.837 -9.864 1.00 21.54 H new ATOM 0 HD12 LEU A 57 -14.259 -9.404 -8.996 1.00 21.54 H new ATOM 0 HD13 LEU A 57 -13.677 -11.025 -8.548 1.00 21.54 H new ATOM 0 HD21 LEU A 57 -16.429 -12.394 -8.767 1.00 43.34 H new ATOM 0 HD22 LEU A 57 -15.308 -12.644 -7.408 1.00 43.34 H new ATOM 0 HD23 LEU A 57 -16.973 -12.097 -7.099 1.00 43.34 H new ATOM 884 N GLN A 58 -13.974 -9.386 -3.874 1.00 51.53 N ATOM 885 CA GLN A 58 -13.389 -8.459 -2.912 1.00 63.23 C ATOM 886 C GLN A 58 -12.171 -9.077 -2.233 1.00 62.13 C ATOM 887 O GLN A 58 -11.289 -8.366 -1.754 1.00 1.42 O ATOM 888 CB GLN A 58 -14.426 -8.060 -1.861 1.00 44.31 C ATOM 889 CG GLN A 58 -13.832 -7.325 -0.670 1.00 13.30 C ATOM 890 CD GLN A 58 -13.219 -5.992 -1.053 1.00 24.41 C ATOM 891 OE1 GLN A 58 -12.210 -5.940 -1.758 1.00 32.04 O ATOM 892 NE2 GLN A 58 -13.825 -4.906 -0.590 1.00 14.13 N ATOM 0 H GLN A 58 -14.914 -9.702 -3.637 1.00 51.53 H new ATOM 0 HA GLN A 58 -13.068 -7.568 -3.452 1.00 63.23 H new ATOM 0 HB2 GLN A 58 -15.180 -7.427 -2.329 1.00 44.31 H new ATOM 0 HB3 GLN A 58 -14.936 -8.956 -1.507 1.00 44.31 H new ATOM 0 HG2 GLN A 58 -14.610 -7.162 0.076 1.00 13.30 H new ATOM 0 HG3 GLN A 58 -13.070 -7.951 -0.205 1.00 13.30 H new ATOM 0 HE21 GLN A 58 -14.659 -4.996 -0.009 1.00 14.13 H new ATOM 0 HE22 GLN A 58 -13.457 -3.982 -0.815 1.00 14.13 H new ATOM 901 N GLU A 59 -12.130 -10.405 -2.196 1.00 73.44 N ATOM 902 CA GLU A 59 -11.020 -11.118 -1.575 1.00 34.04 C ATOM 903 C GLU A 59 -9.700 -10.767 -2.254 1.00 23.13 C ATOM 904 O GLU A 59 -8.737 -10.374 -1.596 1.00 2.10 O ATOM 905 CB GLU A 59 -11.255 -12.629 -1.640 1.00 44.31 C ATOM 906 CG GLU A 59 -10.549 -13.402 -0.539 1.00 70.31 C ATOM 907 CD GLU A 59 -11.281 -13.329 0.787 1.00 75.43 C ATOM 908 OE1 GLU A 59 -12.436 -13.800 0.854 1.00 60.10 O ATOM 909 OE2 GLU A 59 -10.699 -12.801 1.757 1.00 31.42 O ATOM 0 H GLU A 59 -12.852 -11.009 -2.589 1.00 73.44 H new ATOM 0 HA GLU A 59 -10.964 -10.811 -0.531 1.00 34.04 H new ATOM 0 HB2 GLU A 59 -12.326 -12.825 -1.581 1.00 44.31 H new ATOM 0 HB3 GLU A 59 -10.916 -13.000 -2.607 1.00 44.31 H new ATOM 0 HG2 GLU A 59 -10.451 -14.445 -0.838 1.00 70.31 H new ATOM 0 HG3 GLU A 59 -9.540 -13.010 -0.415 1.00 70.31 H new ATOM 916 N MET A 60 -9.663 -10.913 -3.574 1.00 71.12 N ATOM 917 CA MET A 60 -8.461 -10.611 -4.343 1.00 32.10 C ATOM 918 C MET A 60 -8.177 -9.112 -4.342 1.00 33.44 C ATOM 919 O MET A 60 -7.033 -8.688 -4.503 1.00 64.31 O ATOM 920 CB MET A 60 -8.610 -11.113 -5.781 1.00 12.53 C ATOM 921 CG MET A 60 -8.493 -12.622 -5.913 1.00 35.31 C ATOM 922 SD MET A 60 -6.826 -13.222 -5.579 1.00 51.11 S ATOM 923 CE MET A 60 -7.017 -13.841 -3.909 1.00 42.50 C ATOM 0 H MET A 60 -10.451 -11.238 -4.134 1.00 71.12 H new ATOM 0 HA MET A 60 -7.621 -11.122 -3.873 1.00 32.10 H new ATOM 0 HB2 MET A 60 -9.578 -10.797 -6.169 1.00 12.53 H new ATOM 0 HB3 MET A 60 -7.848 -10.642 -6.402 1.00 12.53 H new ATOM 0 HG2 MET A 60 -9.191 -13.098 -5.224 1.00 35.31 H new ATOM 0 HG3 MET A 60 -8.787 -12.918 -6.920 1.00 35.31 H new ATOM 0 HE1 MET A 60 -6.133 -13.588 -3.324 1.00 42.50 H new ATOM 0 HE2 MET A 60 -7.897 -13.388 -3.452 1.00 42.50 H new ATOM 0 HE3 MET A 60 -7.138 -14.924 -3.934 1.00 42.50 H new ATOM 933 N ILE A 61 -9.225 -8.316 -4.159 1.00 33.40 N ATOM 934 CA ILE A 61 -9.087 -6.866 -4.136 1.00 51.50 C ATOM 935 C ILE A 61 -8.545 -6.386 -2.794 1.00 22.12 C ATOM 936 O ILE A 61 -7.968 -5.303 -2.697 1.00 2.10 O ATOM 937 CB ILE A 61 -10.432 -6.167 -4.412 1.00 62.55 C ATOM 938 CG1 ILE A 61 -10.912 -6.481 -5.831 1.00 31.31 C ATOM 939 CG2 ILE A 61 -10.300 -4.665 -4.212 1.00 63.14 C ATOM 940 CD1 ILE A 61 -12.258 -5.874 -6.161 1.00 64.45 C ATOM 0 H ILE A 61 -10.179 -8.651 -4.025 1.00 33.40 H new ATOM 0 HA ILE A 61 -8.382 -6.605 -4.925 1.00 51.50 H new ATOM 0 HB ILE A 61 -11.172 -6.543 -3.706 1.00 62.55 H new ATOM 0 HG12 ILE A 61 -10.173 -6.117 -6.545 1.00 31.31 H new ATOM 0 HG13 ILE A 61 -10.970 -7.562 -5.956 1.00 31.31 H new ATOM 0 HG21 ILE A 61 -11.259 -4.186 -4.411 1.00 63.14 H new ATOM 0 HG22 ILE A 61 -9.998 -4.460 -3.185 1.00 63.14 H new ATOM 0 HG23 ILE A 61 -9.549 -4.271 -4.897 1.00 63.14 H new ATOM 0 HD11 ILE A 61 -12.535 -6.137 -7.182 1.00 64.45 H new ATOM 0 HD12 ILE A 61 -13.009 -6.257 -5.470 1.00 64.45 H new ATOM 0 HD13 ILE A 61 -12.200 -4.789 -6.069 1.00 64.45 H new ATOM 952 N ASP A 62 -8.733 -7.201 -1.761 1.00 44.43 N ATOM 953 CA ASP A 62 -8.260 -6.861 -0.424 1.00 63.51 C ATOM 954 C ASP A 62 -6.737 -6.778 -0.391 1.00 62.02 C ATOM 955 O ASP A 62 -6.170 -5.807 0.108 1.00 11.15 O ATOM 956 CB ASP A 62 -8.748 -7.896 0.590 1.00 32.55 C ATOM 957 CG ASP A 62 -8.756 -7.359 2.008 1.00 53.31 C ATOM 958 OD1 ASP A 62 -9.503 -6.393 2.271 1.00 23.04 O ATOM 959 OD2 ASP A 62 -8.015 -7.903 2.854 1.00 55.14 O ATOM 0 H ASP A 62 -9.209 -8.101 -1.824 1.00 44.43 H new ATOM 0 HA ASP A 62 -8.665 -5.884 -0.159 1.00 63.51 H new ATOM 0 HB2 ASP A 62 -9.754 -8.218 0.321 1.00 32.55 H new ATOM 0 HB3 ASP A 62 -8.108 -8.777 0.542 1.00 32.55 H new ATOM 964 N GLU A 63 -6.081 -7.803 -0.926 1.00 72.42 N ATOM 965 CA GLU A 63 -4.624 -7.846 -0.956 1.00 0.23 C ATOM 966 C GLU A 63 -4.070 -6.827 -1.948 1.00 31.03 C ATOM 967 O GLU A 63 -2.916 -6.411 -1.848 1.00 65.44 O ATOM 968 CB GLU A 63 -4.140 -9.249 -1.326 1.00 22.44 C ATOM 969 CG GLU A 63 -3.122 -9.819 -0.351 1.00 52.43 C ATOM 970 CD GLU A 63 -1.822 -9.038 -0.344 1.00 31.34 C ATOM 971 OE1 GLU A 63 -1.325 -8.702 -1.438 1.00 64.14 O ATOM 972 OE2 GLU A 63 -1.302 -8.764 0.758 1.00 14.44 O ATOM 0 H GLU A 63 -6.536 -8.615 -1.344 1.00 72.42 H new ATOM 0 HA GLU A 63 -4.258 -7.595 0.040 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -4.998 -9.919 -1.375 1.00 22.44 H new ATOM 0 HB3 GLU A 63 -3.700 -9.221 -2.323 1.00 22.44 H new ATOM 0 HG2 GLU A 63 -3.547 -9.820 0.653 1.00 52.43 H new ATOM 0 HG3 GLU A 63 -2.917 -10.857 -0.611 1.00 52.43 H new ATOM 979 N VAL A 64 -4.902 -6.429 -2.905 1.00 70.10 N ATOM 980 CA VAL A 64 -4.497 -5.459 -3.915 1.00 51.12 C ATOM 981 C VAL A 64 -4.601 -4.035 -3.382 1.00 4.51 C ATOM 982 O VAL A 64 -3.664 -3.245 -3.505 1.00 20.02 O ATOM 983 CB VAL A 64 -5.356 -5.582 -5.188 1.00 64.51 C ATOM 984 CG1 VAL A 64 -5.029 -4.462 -6.164 1.00 23.24 C ATOM 985 CG2 VAL A 64 -5.152 -6.943 -5.838 1.00 3.23 C ATOM 0 H VAL A 64 -5.861 -6.763 -3.002 1.00 70.10 H new ATOM 0 HA VAL A 64 -3.458 -5.676 -4.164 1.00 51.12 H new ATOM 0 HB VAL A 64 -6.405 -5.492 -4.907 1.00 64.51 H new ATOM 0 HG11 VAL A 64 -5.646 -4.566 -7.057 1.00 23.24 H new ATOM 0 HG12 VAL A 64 -5.230 -3.499 -5.694 1.00 23.24 H new ATOM 0 HG13 VAL A 64 -3.976 -4.517 -6.442 1.00 23.24 H new ATOM 0 HG21 VAL A 64 -5.766 -7.013 -6.736 1.00 3.23 H new ATOM 0 HG22 VAL A 64 -4.102 -7.065 -6.106 1.00 3.23 H new ATOM 0 HG23 VAL A 64 -5.441 -7.727 -5.138 1.00 3.23 H new ATOM 995 N ASP A 65 -5.745 -3.713 -2.789 1.00 1.42 N ATOM 996 CA ASP A 65 -5.971 -2.383 -2.234 1.00 51.14 C ATOM 997 C ASP A 65 -5.007 -2.102 -1.086 1.00 40.31 C ATOM 998 O ASP A 65 -5.148 -2.654 0.004 1.00 31.32 O ATOM 999 CB ASP A 65 -7.415 -2.248 -1.749 1.00 32.42 C ATOM 1000 CG ASP A 65 -7.838 -0.802 -1.583 1.00 2.03 C ATOM 1001 OD1 ASP A 65 -6.953 0.055 -1.379 1.00 2.53 O ATOM 1002 OD2 ASP A 65 -9.054 -0.527 -1.658 1.00 25.24 O ATOM 0 H ASP A 65 -6.531 -4.354 -2.680 1.00 1.42 H new ATOM 0 HA ASP A 65 -5.791 -1.652 -3.022 1.00 51.14 H new ATOM 0 HB2 ASP A 65 -8.081 -2.739 -2.459 1.00 32.42 H new ATOM 0 HB3 ASP A 65 -7.525 -2.767 -0.797 1.00 32.42 H new ATOM 1007 N GLU A 66 -4.027 -1.240 -1.340 1.00 52.23 N ATOM 1008 CA GLU A 66 -3.039 -0.887 -0.328 1.00 21.54 C ATOM 1009 C GLU A 66 -3.669 -0.046 0.778 1.00 34.14 C ATOM 1010 O GLU A 66 -3.232 -0.085 1.929 1.00 60.15 O ATOM 1011 CB GLU A 66 -1.875 -0.125 -0.963 1.00 43.50 C ATOM 1012 CG GLU A 66 -2.272 1.225 -1.537 1.00 13.24 C ATOM 1013 CD GLU A 66 -2.295 2.321 -0.488 1.00 64.34 C ATOM 1014 OE1 GLU A 66 -1.831 2.070 0.643 1.00 25.42 O ATOM 1015 OE2 GLU A 66 -2.776 3.430 -0.801 1.00 34.12 O ATOM 0 H GLU A 66 -3.897 -0.774 -2.238 1.00 52.23 H new ATOM 0 HA GLU A 66 -2.662 -1.810 0.112 1.00 21.54 H new ATOM 0 HB2 GLU A 66 -1.097 0.023 -0.214 1.00 43.50 H new ATOM 0 HB3 GLU A 66 -1.442 -0.735 -1.756 1.00 43.50 H new ATOM 0 HG2 GLU A 66 -1.574 1.499 -2.328 1.00 13.24 H new ATOM 0 HG3 GLU A 66 -3.258 1.145 -1.995 1.00 13.24 H new ATOM 1022 N ASP A 67 -4.699 0.714 0.421 1.00 22.24 N ATOM 1023 CA ASP A 67 -5.391 1.565 1.383 1.00 62.44 C ATOM 1024 C ASP A 67 -6.631 0.867 1.932 1.00 21.41 C ATOM 1025 O ASP A 67 -7.270 1.356 2.863 1.00 70.25 O ATOM 1026 CB ASP A 67 -5.784 2.892 0.731 1.00 23.43 C ATOM 1027 CG ASP A 67 -6.371 2.705 -0.654 1.00 0.11 C ATOM 1028 OD1 ASP A 67 -7.598 2.492 -0.755 1.00 4.01 O ATOM 1029 OD2 ASP A 67 -5.604 2.773 -1.637 1.00 12.00 O ATOM 0 H ASP A 67 -5.073 0.758 -0.527 1.00 22.24 H new ATOM 0 HA ASP A 67 -4.711 1.763 2.211 1.00 62.44 H new ATOM 0 HB2 ASP A 67 -6.509 3.404 1.364 1.00 23.43 H new ATOM 0 HB3 ASP A 67 -4.907 3.536 0.667 1.00 23.43 H new ATOM 1034 N GLY A 68 -6.966 -0.280 1.349 1.00 70.25 N ATOM 1035 CA GLY A 68 -8.129 -1.026 1.792 1.00 31.22 C ATOM 1036 C GLY A 68 -9.388 -0.183 1.806 1.00 54.33 C ATOM 1037 O GLY A 68 -10.198 -0.279 2.728 1.00 74.04 O ATOM 0 H GLY A 68 -6.452 -0.706 0.578 1.00 70.25 H new ATOM 0 HA2 GLY A 68 -8.277 -1.884 1.137 1.00 31.22 H new ATOM 0 HA3 GLY A 68 -7.946 -1.417 2.793 1.00 31.22 H new ATOM 1041 N SER A 69 -9.553 0.648 0.781 1.00 14.02 N ATOM 1042 CA SER A 69 -10.721 1.516 0.682 1.00 44.44 C ATOM 1043 C SER A 69 -11.945 0.730 0.222 1.00 1.51 C ATOM 1044 O SER A 69 -13.080 1.177 0.383 1.00 3.20 O ATOM 1045 CB SER A 69 -10.445 2.667 -0.289 1.00 34.14 C ATOM 1046 OG SER A 69 -10.070 2.179 -1.565 1.00 73.10 O ATOM 0 H SER A 69 -8.893 0.738 0.008 1.00 14.02 H new ATOM 0 HA SER A 69 -10.925 1.925 1.672 1.00 44.44 H new ATOM 0 HB2 SER A 69 -11.335 3.290 -0.382 1.00 34.14 H new ATOM 0 HB3 SER A 69 -9.652 3.300 0.109 1.00 34.14 H new ATOM 0 HG SER A 69 -9.104 2.289 -1.686 1.00 73.10 H new ATOM 1052 N GLY A 70 -11.705 -0.445 -0.352 1.00 2.32 N ATOM 1053 CA GLY A 70 -12.796 -1.275 -0.827 1.00 32.14 C ATOM 1054 C GLY A 70 -12.941 -1.235 -2.335 1.00 32.51 C ATOM 1055 O GLY A 70 -13.921 -1.738 -2.886 1.00 61.42 O ATOM 0 H GLY A 70 -10.774 -0.837 -0.496 1.00 2.32 H new ATOM 0 HA2 GLY A 70 -12.631 -2.304 -0.508 1.00 32.14 H new ATOM 0 HA3 GLY A 70 -13.727 -0.944 -0.367 1.00 32.14 H new ATOM 1059 N THR A 71 -11.964 -0.634 -3.006 1.00 62.24 N ATOM 1060 CA THR A 71 -11.988 -0.528 -4.460 1.00 1.03 C ATOM 1061 C THR A 71 -10.576 -0.445 -5.028 1.00 60.34 C ATOM 1062 O THR A 71 -9.658 0.043 -4.369 1.00 50.35 O ATOM 1063 CB THR A 71 -12.787 0.706 -4.920 1.00 34.34 C ATOM 1064 OG1 THR A 71 -12.592 1.786 -4.001 1.00 15.34 O ATOM 1065 CG2 THR A 71 -14.270 0.382 -5.023 1.00 32.05 C ATOM 0 H THR A 71 -11.146 -0.213 -2.566 1.00 62.24 H new ATOM 0 HA THR A 71 -12.476 -1.428 -4.835 1.00 1.03 H new ATOM 0 HB THR A 71 -12.426 0.999 -5.906 1.00 34.34 H new ATOM 0 HG1 THR A 71 -13.102 2.567 -4.301 1.00 15.34 H new ATOM 0 HG21 THR A 71 -14.814 1.268 -5.349 1.00 32.05 H new ATOM 0 HG22 THR A 71 -14.418 -0.421 -5.745 1.00 32.05 H new ATOM 0 HG23 THR A 71 -14.642 0.066 -4.048 1.00 32.05 H new ATOM 1073 N VAL A 72 -10.409 -0.926 -6.257 1.00 4.54 N ATOM 1074 CA VAL A 72 -9.108 -0.904 -6.915 1.00 61.11 C ATOM 1075 C VAL A 72 -8.953 0.338 -7.785 1.00 42.12 C ATOM 1076 O VAL A 72 -9.788 0.613 -8.647 1.00 1.21 O ATOM 1077 CB VAL A 72 -8.899 -2.157 -7.786 1.00 73.04 C ATOM 1078 CG1 VAL A 72 -7.969 -1.850 -8.950 1.00 2.33 C ATOM 1079 CG2 VAL A 72 -8.357 -3.304 -6.948 1.00 23.33 C ATOM 0 H VAL A 72 -11.158 -1.335 -6.816 1.00 4.54 H new ATOM 0 HA VAL A 72 -8.355 -0.888 -6.127 1.00 61.11 H new ATOM 0 HB VAL A 72 -9.864 -2.459 -8.193 1.00 73.04 H new ATOM 0 HG11 VAL A 72 -7.833 -2.747 -9.554 1.00 2.33 H new ATOM 0 HG12 VAL A 72 -8.403 -1.061 -9.564 1.00 2.33 H new ATOM 0 HG13 VAL A 72 -7.003 -1.521 -8.567 1.00 2.33 H new ATOM 0 HG21 VAL A 72 -8.215 -4.181 -7.580 1.00 23.33 H new ATOM 0 HG22 VAL A 72 -7.402 -3.015 -6.510 1.00 23.33 H new ATOM 0 HG23 VAL A 72 -9.065 -3.540 -6.153 1.00 23.33 H new ATOM 1089 N ASP A 73 -7.879 1.085 -7.554 1.00 63.12 N ATOM 1090 CA ASP A 73 -7.612 2.298 -8.318 1.00 54.21 C ATOM 1091 C ASP A 73 -6.616 2.026 -9.441 1.00 20.24 C ATOM 1092 O ASP A 73 -6.032 0.945 -9.518 1.00 22.34 O ATOM 1093 CB ASP A 73 -7.077 3.398 -7.399 1.00 63.55 C ATOM 1094 CG ASP A 73 -7.385 4.788 -7.920 1.00 24.22 C ATOM 1095 OD1 ASP A 73 -8.123 4.897 -8.921 1.00 71.12 O ATOM 1096 OD2 ASP A 73 -6.888 5.767 -7.325 1.00 61.10 O ATOM 0 H ASP A 73 -7.179 0.872 -6.844 1.00 63.12 H new ATOM 0 HA ASP A 73 -8.550 2.631 -8.763 1.00 54.21 H new ATOM 0 HB2 ASP A 73 -7.511 3.281 -6.406 1.00 63.55 H new ATOM 0 HB3 ASP A 73 -5.998 3.284 -7.291 1.00 63.55 H new ATOM 1101 N PHE A 74 -6.427 3.013 -10.310 1.00 75.01 N ATOM 1102 CA PHE A 74 -5.503 2.879 -11.430 1.00 54.22 C ATOM 1103 C PHE A 74 -4.109 2.499 -10.942 1.00 45.02 C ATOM 1104 O PHE A 74 -3.352 1.832 -11.649 1.00 34.15 O ATOM 1105 CB PHE A 74 -5.440 4.185 -12.225 1.00 44.01 C ATOM 1106 CG PHE A 74 -4.409 4.172 -13.317 1.00 42.24 C ATOM 1107 CD1 PHE A 74 -4.237 3.051 -14.113 1.00 23.24 C ATOM 1108 CD2 PHE A 74 -3.611 5.282 -13.549 1.00 34.55 C ATOM 1109 CE1 PHE A 74 -3.289 3.036 -15.119 1.00 33.31 C ATOM 1110 CE2 PHE A 74 -2.663 5.273 -14.554 1.00 23.55 C ATOM 1111 CZ PHE A 74 -2.501 4.148 -15.339 1.00 25.12 C ATOM 0 H PHE A 74 -6.901 3.915 -10.260 1.00 75.01 H new ATOM 0 HA PHE A 74 -5.870 2.084 -12.079 1.00 54.22 H new ATOM 0 HB2 PHE A 74 -6.419 4.382 -12.662 1.00 44.01 H new ATOM 0 HB3 PHE A 74 -5.224 5.007 -11.542 1.00 44.01 H new ATOM 0 HD1 PHE A 74 -4.851 2.178 -13.945 1.00 23.24 H new ATOM 0 HD2 PHE A 74 -3.732 6.164 -12.937 1.00 34.55 H new ATOM 0 HE1 PHE A 74 -3.165 2.156 -15.732 1.00 33.31 H new ATOM 0 HE2 PHE A 74 -2.049 6.145 -14.726 1.00 23.55 H new ATOM 0 HZ PHE A 74 -1.759 4.138 -16.124 1.00 25.12 H new ATOM 1121 N ASP A 75 -3.775 2.929 -9.730 1.00 61.03 N ATOM 1122 CA ASP A 75 -2.472 2.634 -9.146 1.00 64.03 C ATOM 1123 C ASP A 75 -2.371 1.163 -8.756 1.00 74.42 C ATOM 1124 O ASP A 75 -1.516 0.435 -9.258 1.00 63.04 O ATOM 1125 CB ASP A 75 -2.226 3.517 -7.922 1.00 31.02 C ATOM 1126 CG ASP A 75 -0.757 3.608 -7.559 1.00 41.22 C ATOM 1127 OD1 ASP A 75 -0.037 2.603 -7.739 1.00 54.22 O ATOM 1128 OD2 ASP A 75 -0.326 4.685 -7.096 1.00 73.11 O ATOM 0 H ASP A 75 -4.389 3.483 -9.133 1.00 61.03 H new ATOM 0 HA ASP A 75 -1.710 2.845 -9.896 1.00 64.03 H new ATOM 0 HB2 ASP A 75 -2.612 4.518 -8.116 1.00 31.02 H new ATOM 0 HB3 ASP A 75 -2.783 3.120 -7.073 1.00 31.02 H new ATOM 1133 N GLU A 76 -3.251 0.733 -7.857 1.00 31.30 N ATOM 1134 CA GLU A 76 -3.259 -0.651 -7.398 1.00 74.55 C ATOM 1135 C GLU A 76 -3.556 -1.605 -8.552 1.00 74.03 C ATOM 1136 O GLU A 76 -3.100 -2.748 -8.560 1.00 24.12 O ATOM 1137 CB GLU A 76 -4.296 -0.838 -6.288 1.00 62.24 C ATOM 1138 CG GLU A 76 -4.101 0.101 -5.110 1.00 21.54 C ATOM 1139 CD GLU A 76 -5.412 0.632 -4.564 1.00 32.31 C ATOM 1140 OE1 GLU A 76 -6.427 -0.092 -4.651 1.00 43.51 O ATOM 1141 OE2 GLU A 76 -5.424 1.770 -4.050 1.00 72.33 O ATOM 0 H GLU A 76 -3.967 1.323 -7.433 1.00 31.30 H new ATOM 0 HA GLU A 76 -2.269 -0.882 -7.003 1.00 74.55 H new ATOM 0 HB2 GLU A 76 -5.292 -0.685 -6.703 1.00 62.24 H new ATOM 0 HB3 GLU A 76 -4.254 -1.867 -5.932 1.00 62.24 H new ATOM 0 HG2 GLU A 76 -3.567 -0.423 -4.317 1.00 21.54 H new ATOM 0 HG3 GLU A 76 -3.474 0.938 -5.417 1.00 21.54 H new ATOM 1148 N TRP A 77 -4.325 -1.127 -9.524 1.00 44.52 N ATOM 1149 CA TRP A 77 -4.684 -1.936 -10.683 1.00 64.20 C ATOM 1150 C TRP A 77 -3.465 -2.202 -11.560 1.00 51.10 C ATOM 1151 O TRP A 77 -3.327 -3.281 -12.137 1.00 63.23 O ATOM 1152 CB TRP A 77 -5.773 -1.239 -11.500 1.00 31.51 C ATOM 1153 CG TRP A 77 -6.448 -2.145 -12.485 1.00 31.53 C ATOM 1154 CD1 TRP A 77 -7.608 -2.841 -12.297 1.00 32.21 C ATOM 1155 CD2 TRP A 77 -6.002 -2.455 -13.810 1.00 14.23 C ATOM 1156 NE1 TRP A 77 -7.911 -3.564 -13.425 1.00 64.44 N ATOM 1157 CE2 TRP A 77 -6.942 -3.344 -14.368 1.00 44.11 C ATOM 1158 CE3 TRP A 77 -4.903 -2.066 -14.579 1.00 41.14 C ATOM 1159 CZ2 TRP A 77 -6.812 -3.849 -15.659 1.00 63.10 C ATOM 1160 CZ3 TRP A 77 -4.775 -2.569 -15.860 1.00 52.53 C ATOM 1161 CH2 TRP A 77 -5.725 -3.452 -16.390 1.00 54.41 C ATOM 0 H TRP A 77 -4.712 -0.183 -9.532 1.00 44.52 H new ATOM 0 HA TRP A 77 -5.065 -2.892 -10.323 1.00 64.20 H new ATOM 0 HB2 TRP A 77 -6.521 -0.831 -10.821 1.00 31.51 H new ATOM 0 HB3 TRP A 77 -5.333 -0.397 -12.034 1.00 31.51 H new ATOM 0 HD1 TRP A 77 -8.200 -2.825 -11.394 1.00 32.21 H new ATOM 0 HE1 TRP A 77 -8.725 -4.167 -13.542 1.00 64.44 H new ATOM 0 HE3 TRP A 77 -4.166 -1.384 -14.180 1.00 41.14 H new ATOM 0 HZ2 TRP A 77 -7.543 -4.530 -16.069 1.00 63.10 H new ATOM 0 HZ3 TRP A 77 -3.928 -2.276 -16.463 1.00 52.53 H new ATOM 0 HH2 TRP A 77 -5.597 -3.827 -17.395 1.00 54.41 H new ATOM 1172 N LEU A 78 -2.584 -1.213 -11.656 1.00 43.31 N ATOM 1173 CA LEU A 78 -1.375 -1.340 -12.463 1.00 73.34 C ATOM 1174 C LEU A 78 -0.353 -2.239 -11.775 1.00 72.52 C ATOM 1175 O LEU A 78 0.158 -3.186 -12.373 1.00 22.51 O ATOM 1176 CB LEU A 78 -0.765 0.038 -12.725 1.00 30.22 C ATOM 1177 CG LEU A 78 -0.553 0.411 -14.193 1.00 35.44 C ATOM 1178 CD1 LEU A 78 -0.378 1.914 -14.341 1.00 70.14 C ATOM 1179 CD2 LEU A 78 0.649 -0.328 -14.762 1.00 41.54 C ATOM 0 H LEU A 78 -2.684 -0.314 -11.185 1.00 43.31 H new ATOM 0 HA LEU A 78 -1.650 -1.795 -13.415 1.00 73.34 H new ATOM 0 HB2 LEU A 78 -1.408 0.790 -12.269 1.00 30.22 H new ATOM 0 HB3 LEU A 78 0.197 0.090 -12.215 1.00 30.22 H new ATOM 0 HG LEU A 78 -1.437 0.112 -14.756 1.00 35.44 H new ATOM 0 HD11 LEU A 78 -0.228 2.161 -15.392 1.00 70.14 H new ATOM 0 HD12 LEU A 78 -1.269 2.422 -13.972 1.00 70.14 H new ATOM 0 HD13 LEU A 78 0.489 2.238 -13.765 1.00 70.14 H new ATOM 0 HD21 LEU A 78 0.785 -0.051 -15.807 1.00 41.54 H new ATOM 0 HD22 LEU A 78 1.542 -0.061 -14.196 1.00 41.54 H new ATOM 0 HD23 LEU A 78 0.483 -1.403 -14.690 1.00 41.54 H new ATOM 1191 N VAL A 79 -0.061 -1.938 -10.514 1.00 14.21 N ATOM 1192 CA VAL A 79 0.897 -2.720 -9.743 1.00 31.53 C ATOM 1193 C VAL A 79 0.438 -4.168 -9.602 1.00 42.44 C ATOM 1194 O VAL A 79 1.255 -5.077 -9.457 1.00 13.31 O ATOM 1195 CB VAL A 79 1.110 -2.123 -8.339 1.00 52.54 C ATOM 1196 CG1 VAL A 79 1.525 -0.663 -8.438 1.00 51.52 C ATOM 1197 CG2 VAL A 79 -0.150 -2.271 -7.500 1.00 74.54 C ATOM 0 H VAL A 79 -0.475 -1.157 -10.004 1.00 14.21 H new ATOM 0 HA VAL A 79 1.840 -2.691 -10.289 1.00 31.53 H new ATOM 0 HB VAL A 79 1.913 -2.673 -7.847 1.00 52.54 H new ATOM 0 HG11 VAL A 79 1.671 -0.258 -7.437 1.00 51.52 H new ATOM 0 HG12 VAL A 79 2.456 -0.587 -9.000 1.00 51.52 H new ATOM 0 HG13 VAL A 79 0.746 -0.097 -8.948 1.00 51.52 H new ATOM 0 HG21 VAL A 79 0.019 -1.844 -6.512 1.00 74.54 H new ATOM 0 HG22 VAL A 79 -0.974 -1.748 -7.985 1.00 74.54 H new ATOM 0 HG23 VAL A 79 -0.399 -3.328 -7.401 1.00 74.54 H new ATOM 1207 N MET A 80 -0.874 -4.374 -9.647 1.00 40.44 N ATOM 1208 CA MET A 80 -1.442 -5.711 -9.527 1.00 63.51 C ATOM 1209 C MET A 80 -0.789 -6.670 -10.518 1.00 22.23 C ATOM 1210 O MET A 80 -0.419 -7.789 -10.161 1.00 54.33 O ATOM 1211 CB MET A 80 -2.953 -5.670 -9.760 1.00 32.20 C ATOM 1212 CG MET A 80 -3.584 -7.046 -9.904 1.00 44.23 C ATOM 1213 SD MET A 80 -5.383 -6.979 -9.997 1.00 50.12 S ATOM 1214 CE MET A 80 -5.611 -5.686 -11.216 1.00 33.14 C ATOM 0 H MET A 80 -1.564 -3.632 -9.766 1.00 40.44 H new ATOM 0 HA MET A 80 -1.247 -6.072 -8.517 1.00 63.51 H new ATOM 0 HB2 MET A 80 -3.426 -5.148 -8.929 1.00 32.20 H new ATOM 0 HB3 MET A 80 -3.158 -5.089 -10.660 1.00 32.20 H new ATOM 0 HG2 MET A 80 -3.195 -7.527 -10.801 1.00 44.23 H new ATOM 0 HG3 MET A 80 -3.291 -7.666 -9.057 1.00 44.23 H new ATOM 0 HE1 MET A 80 -6.485 -5.912 -11.827 1.00 33.14 H new ATOM 0 HE2 MET A 80 -5.758 -4.732 -10.711 1.00 33.14 H new ATOM 0 HE3 MET A 80 -4.728 -5.627 -11.853 1.00 33.14 H new ATOM 1224 N MET A 81 -0.650 -6.225 -11.762 1.00 53.41 N ATOM 1225 CA MET A 81 -0.041 -7.044 -12.803 1.00 41.13 C ATOM 1226 C MET A 81 1.441 -7.270 -12.520 1.00 12.40 C ATOM 1227 O MET A 81 1.961 -8.366 -12.725 1.00 4.42 O ATOM 1228 CB MET A 81 -0.215 -6.381 -14.171 1.00 54.01 C ATOM 1229 CG MET A 81 -0.315 -7.373 -15.319 1.00 14.33 C ATOM 1230 SD MET A 81 -1.949 -8.124 -15.447 1.00 34.10 S ATOM 1231 CE MET A 81 -2.955 -6.688 -15.814 1.00 44.24 C ATOM 0 H MET A 81 -0.951 -5.302 -12.074 1.00 53.41 H new ATOM 0 HA MET A 81 -0.543 -8.011 -12.809 1.00 41.13 H new ATOM 0 HB2 MET A 81 -1.114 -5.764 -14.155 1.00 54.01 H new ATOM 0 HB3 MET A 81 0.627 -5.713 -14.351 1.00 54.01 H new ATOM 0 HG2 MET A 81 -0.078 -6.866 -16.254 1.00 14.33 H new ATOM 0 HG3 MET A 81 0.431 -8.156 -15.183 1.00 14.33 H new ATOM 0 HE1 MET A 81 -3.972 -7.005 -16.044 1.00 44.24 H new ATOM 0 HE2 MET A 81 -2.969 -6.023 -14.950 1.00 44.24 H new ATOM 0 HE3 MET A 81 -2.537 -6.160 -16.671 1.00 44.24 H new ATOM 1241 N ALA A 82 2.114 -6.225 -12.048 1.00 63.43 N ATOM 1242 CA ALA A 82 3.535 -6.311 -11.736 1.00 4.05 C ATOM 1243 C ALA A 82 3.818 -7.463 -10.777 1.00 1.53 C ATOM 1244 O ALA A 82 4.854 -8.121 -10.871 1.00 71.20 O ATOM 1245 CB ALA A 82 4.026 -4.997 -11.145 1.00 32.31 C ATOM 0 H ALA A 82 1.698 -5.310 -11.874 1.00 63.43 H new ATOM 0 HA ALA A 82 4.074 -6.504 -12.663 1.00 4.05 H new ATOM 0 HB1 ALA A 82 5.089 -5.075 -10.917 1.00 32.31 H new ATOM 0 HB2 ALA A 82 3.868 -4.193 -11.864 1.00 32.31 H new ATOM 0 HB3 ALA A 82 3.474 -4.780 -10.231 1.00 32.31 H new ATOM 1251 N ARG A 83 2.891 -7.699 -9.854 1.00 63.41 N ATOM 1252 CA ARG A 83 3.042 -8.770 -8.877 1.00 24.44 C ATOM 1253 C ARG A 83 3.069 -10.133 -9.563 1.00 31.01 C ATOM 1254 O ARG A 83 3.618 -11.098 -9.029 1.00 13.43 O ATOM 1255 CB ARG A 83 1.903 -8.723 -7.856 1.00 64.35 C ATOM 1256 CG ARG A 83 1.903 -7.466 -7.002 1.00 75.12 C ATOM 1257 CD ARG A 83 0.713 -7.437 -6.055 1.00 62.01 C ATOM 1258 NE ARG A 83 0.670 -8.616 -5.194 1.00 3.20 N ATOM 1259 CZ ARG A 83 -0.393 -8.964 -4.478 1.00 23.43 C ATOM 1260 NH1 ARG A 83 -1.495 -8.229 -4.520 1.00 1.42 N ATOM 1261 NH2 ARG A 83 -0.355 -10.051 -3.718 1.00 22.52 N ATOM 0 H ARG A 83 2.028 -7.163 -9.763 1.00 63.41 H new ATOM 0 HA ARG A 83 3.990 -8.624 -8.360 1.00 24.44 H new ATOM 0 HB2 ARG A 83 0.951 -8.795 -8.382 1.00 64.35 H new ATOM 0 HB3 ARG A 83 1.974 -9.594 -7.205 1.00 64.35 H new ATOM 0 HG2 ARG A 83 2.828 -7.415 -6.428 1.00 75.12 H new ATOM 0 HG3 ARG A 83 1.879 -6.587 -7.646 1.00 75.12 H new ATOM 0 HD2 ARG A 83 0.762 -6.539 -5.438 1.00 62.01 H new ATOM 0 HD3 ARG A 83 -0.209 -7.376 -6.633 1.00 62.01 H new ATOM 0 HE ARG A 83 1.502 -9.204 -5.140 1.00 3.20 H new ATOM 0 HH11 ARG A 83 -1.529 -7.393 -5.104 1.00 1.42 H new ATOM 0 HH12 ARG A 83 -2.310 -8.499 -3.969 1.00 1.42 H new ATOM 0 HH21 ARG A 83 0.491 -10.620 -3.683 1.00 22.52 H new ATOM 0 HH22 ARG A 83 -1.172 -10.318 -3.168 1.00 22.52 H new ATOM 1275 N CYS A 84 2.473 -10.204 -10.748 1.00 34.43 N ATOM 1276 CA CYS A 84 2.426 -11.449 -11.507 1.00 24.24 C ATOM 1277 C CYS A 84 3.811 -11.819 -12.029 1.00 53.04 C ATOM 1278 O CYS A 84 4.045 -12.953 -12.445 1.00 23.30 O ATOM 1279 CB CYS A 84 1.444 -11.324 -12.672 1.00 44.13 C ATOM 1280 SG CYS A 84 0.879 -12.908 -13.335 1.00 63.42 S ATOM 0 H CYS A 84 2.016 -9.415 -11.204 1.00 34.43 H new ATOM 0 HA CYS A 84 2.086 -12.241 -10.840 1.00 24.24 H new ATOM 0 HB2 CYS A 84 0.578 -10.750 -12.343 1.00 44.13 H new ATOM 0 HB3 CYS A 84 1.917 -10.755 -13.473 1.00 44.13 H new ATOM 0 HG CYS A 84 0.051 -12.698 -14.315 1.00 63.42 H new ATOM 1286 N MET A 85 4.723 -10.853 -12.007 1.00 24.22 N ATOM 1287 CA MET A 85 6.085 -11.078 -12.479 1.00 53.31 C ATOM 1288 C MET A 85 6.874 -11.921 -11.483 1.00 11.25 C ATOM 1289 O MET A 85 7.600 -12.837 -11.867 1.00 64.41 O ATOM 1290 CB MET A 85 6.794 -9.742 -12.709 1.00 42.13 C ATOM 1291 CG MET A 85 6.261 -8.969 -13.905 1.00 3.12 C ATOM 1292 SD MET A 85 6.975 -9.523 -15.465 1.00 25.32 S ATOM 1293 CE MET A 85 5.566 -9.362 -16.558 1.00 62.45 C ATOM 0 H MET A 85 4.544 -9.908 -11.668 1.00 24.22 H new ATOM 0 HA MET A 85 6.031 -11.620 -13.423 1.00 53.31 H new ATOM 0 HB2 MET A 85 6.692 -9.127 -11.815 1.00 42.13 H new ATOM 0 HB3 MET A 85 7.859 -9.925 -12.850 1.00 42.13 H new ATOM 0 HG2 MET A 85 5.177 -9.076 -13.948 1.00 3.12 H new ATOM 0 HG3 MET A 85 6.472 -7.908 -13.770 1.00 3.12 H new ATOM 0 HE1 MET A 85 5.850 -9.669 -17.565 1.00 62.45 H new ATOM 0 HE2 MET A 85 4.754 -9.996 -16.201 1.00 62.45 H new ATOM 0 HE3 MET A 85 5.235 -8.324 -16.575 1.00 62.45 H new