USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 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 -102:sc= 1.27 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= -0.299 (180deg=-3.05!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 16 GLN : amide:sc= -0.67 K(o=-0.67,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.93 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 38 THR OG1 : rot 176:sc= -0.809 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0772 (180deg=-0.381) USER MOD Single : A 45 MET CE :methyl -154:sc= -1.72! (180deg=-2.78!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.35) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 58 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.78) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 147:sc= -1.43 (180deg=-2.13) USER MOD Single : A 81 MET CE :methyl -116:sc= -1.31 (180deg=-1.51!) USER MOD Single : A 84 CYS SG : rot -34:sc= 0.0105 USER MOD Single : A 85 MET CE :methyl -153:sc= -0.222 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.579 -3.523 -5.607 1.00 31.05 N ATOM 62 CA TYR A 5 5.745 -3.810 -6.768 1.00 44.41 C ATOM 63 C TYR A 5 5.882 -2.713 -7.820 1.00 74.11 C ATOM 64 O TYR A 5 5.836 -2.979 -9.021 1.00 71.14 O ATOM 65 CB TYR A 5 4.281 -3.951 -6.349 1.00 1.30 C ATOM 66 CG TYR A 5 4.022 -5.133 -5.443 1.00 72.32 C ATOM 67 CD1 TYR A 5 4.584 -6.375 -5.712 1.00 20.32 C ATOM 68 CD2 TYR A 5 3.214 -5.009 -4.320 1.00 21.24 C ATOM 69 CE1 TYR A 5 4.349 -7.459 -4.888 1.00 4.14 C ATOM 70 CE2 TYR A 5 2.975 -6.087 -3.489 1.00 43.20 C ATOM 71 CZ TYR A 5 3.545 -7.309 -3.777 1.00 71.52 C ATOM 72 OH TYR A 5 3.308 -8.386 -2.953 1.00 42.21 O ATOM 0 HA TYR A 5 6.083 -4.751 -7.203 1.00 44.41 H new ATOM 0 HB2 TYR A 5 3.968 -3.039 -5.841 1.00 1.30 H new ATOM 0 HB3 TYR A 5 3.664 -4.046 -7.242 1.00 1.30 H new ATOM 0 HD1 TYR A 5 5.215 -6.495 -6.580 1.00 20.32 H new ATOM 0 HD2 TYR A 5 2.765 -4.054 -4.092 1.00 21.24 H new ATOM 0 HE1 TYR A 5 4.792 -8.418 -5.112 1.00 4.14 H new ATOM 0 HE2 TYR A 5 2.345 -5.973 -2.619 1.00 43.20 H new ATOM 0 HH TYR A 5 2.723 -8.112 -2.216 1.00 42.21 H new ATOM 82 N LYS A 6 6.050 -1.478 -7.360 1.00 32.24 N ATOM 83 CA LYS A 6 6.195 -0.339 -8.258 1.00 70.22 C ATOM 84 C LYS A 6 7.461 -0.468 -9.099 1.00 40.52 C ATOM 85 O LYS A 6 7.552 0.093 -10.191 1.00 75.11 O ATOM 86 CB LYS A 6 6.231 0.966 -7.459 1.00 72.43 C ATOM 87 CG LYS A 6 5.193 1.030 -6.353 1.00 34.25 C ATOM 88 CD LYS A 6 3.818 0.618 -6.853 1.00 0.53 C ATOM 89 CE LYS A 6 3.331 1.537 -7.963 1.00 11.23 C ATOM 90 NZ LYS A 6 1.887 1.870 -7.813 1.00 42.44 N ATOM 0 H LYS A 6 6.089 -1.240 -6.369 1.00 32.24 H new ATOM 0 HA LYS A 6 5.335 -0.324 -8.927 1.00 70.22 H new ATOM 0 HB2 LYS A 6 7.222 1.088 -7.023 1.00 72.43 H new ATOM 0 HB3 LYS A 6 6.077 1.803 -8.140 1.00 72.43 H new ATOM 0 HG2 LYS A 6 5.493 0.378 -5.533 1.00 34.25 H new ATOM 0 HG3 LYS A 6 5.147 2.043 -5.954 1.00 34.25 H new ATOM 0 HD2 LYS A 6 3.855 -0.408 -7.219 1.00 0.53 H new ATOM 0 HD3 LYS A 6 3.108 0.636 -6.026 1.00 0.53 H new ATOM 0 HE2 LYS A 6 3.918 2.455 -7.958 1.00 11.23 H new ATOM 0 HE3 LYS A 6 3.495 1.059 -8.929 1.00 11.23 H new ATOM 0 HZ1 LYS A 6 1.367 1.546 -8.653 1.00 42.44 H new ATOM 0 HZ2 LYS A 6 1.508 1.397 -6.968 1.00 42.44 H new ATOM 0 HZ3 LYS A 6 1.777 2.899 -7.713 1.00 42.44 H new ATOM 104 N ALA A 7 8.436 -1.210 -8.584 1.00 15.10 N ATOM 105 CA ALA A 7 9.694 -1.415 -9.290 1.00 4.45 C ATOM 106 C ALA A 7 9.481 -2.206 -10.575 1.00 72.32 C ATOM 107 O ALA A 7 9.727 -1.705 -11.672 1.00 33.21 O ATOM 108 CB ALA A 7 10.694 -2.126 -8.390 1.00 3.44 C ATOM 0 H ALA A 7 8.378 -1.679 -7.680 1.00 15.10 H new ATOM 0 HA ALA A 7 10.094 -0.437 -9.559 1.00 4.45 H new ATOM 0 HB1 ALA A 7 11.629 -2.273 -8.930 1.00 3.44 H new ATOM 0 HB2 ALA A 7 10.879 -1.521 -7.502 1.00 3.44 H new ATOM 0 HB3 ALA A 7 10.291 -3.094 -8.092 1.00 3.44 H new ATOM 114 N ALA A 8 9.022 -3.446 -10.432 1.00 43.53 N ATOM 115 CA ALA A 8 8.775 -4.306 -11.583 1.00 14.34 C ATOM 116 C ALA A 8 7.859 -3.622 -12.592 1.00 75.31 C ATOM 117 O ALA A 8 8.004 -3.805 -13.801 1.00 32.32 O ATOM 118 CB ALA A 8 8.173 -5.629 -11.132 1.00 40.24 C ATOM 0 H ALA A 8 8.814 -3.877 -9.531 1.00 43.53 H new ATOM 0 HA ALA A 8 9.729 -4.501 -12.072 1.00 14.34 H new ATOM 0 HB1 ALA A 8 7.993 -6.262 -12.001 1.00 40.24 H new ATOM 0 HB2 ALA A 8 8.864 -6.131 -10.454 1.00 40.24 H new ATOM 0 HB3 ALA A 8 7.230 -5.443 -10.617 1.00 40.24 H new ATOM 124 N VAL A 9 6.914 -2.834 -12.088 1.00 71.24 N ATOM 125 CA VAL A 9 5.974 -2.123 -12.947 1.00 1.25 C ATOM 126 C VAL A 9 6.691 -1.094 -13.813 1.00 4.32 C ATOM 127 O VAL A 9 6.478 -1.031 -15.023 1.00 42.41 O ATOM 128 CB VAL A 9 4.886 -1.412 -12.120 1.00 30.55 C ATOM 129 CG1 VAL A 9 3.942 -0.641 -13.029 1.00 42.22 C ATOM 130 CG2 VAL A 9 4.120 -2.417 -11.272 1.00 62.43 C ATOM 0 H VAL A 9 6.779 -2.672 -11.090 1.00 71.24 H new ATOM 0 HA VAL A 9 5.504 -2.869 -13.588 1.00 1.25 H new ATOM 0 HB VAL A 9 5.370 -0.700 -11.451 1.00 30.55 H new ATOM 0 HG11 VAL A 9 3.181 -0.146 -12.427 1.00 42.22 H new ATOM 0 HG12 VAL A 9 4.505 0.106 -13.588 1.00 42.22 H new ATOM 0 HG13 VAL A 9 3.463 -1.330 -13.724 1.00 42.22 H new ATOM 0 HG21 VAL A 9 3.355 -1.898 -10.694 1.00 62.43 H new ATOM 0 HG22 VAL A 9 3.647 -3.154 -11.920 1.00 62.43 H new ATOM 0 HG23 VAL A 9 4.809 -2.920 -10.593 1.00 62.43 H new ATOM 140 N GLU A 10 7.543 -0.289 -13.184 1.00 71.32 N ATOM 141 CA GLU A 10 8.292 0.738 -13.899 1.00 31.32 C ATOM 142 C GLU A 10 9.282 0.109 -14.875 1.00 74.23 C ATOM 143 O GLU A 10 9.738 0.758 -15.815 1.00 44.45 O ATOM 144 CB GLU A 10 9.036 1.638 -12.911 1.00 0.25 C ATOM 145 CG GLU A 10 8.167 2.729 -12.308 1.00 11.03 C ATOM 146 CD GLU A 10 8.976 3.909 -11.805 1.00 23.42 C ATOM 147 OE1 GLU A 10 9.580 4.614 -12.640 1.00 31.12 O ATOM 148 OE2 GLU A 10 9.005 4.126 -10.575 1.00 45.13 O ATOM 0 H GLU A 10 7.731 -0.328 -12.182 1.00 71.32 H new ATOM 0 HA GLU A 10 7.582 1.341 -14.466 1.00 31.32 H new ATOM 0 HB2 GLU A 10 9.442 1.023 -12.108 1.00 0.25 H new ATOM 0 HB3 GLU A 10 9.883 2.099 -13.419 1.00 0.25 H new ATOM 0 HG2 GLU A 10 7.454 3.075 -13.056 1.00 11.03 H new ATOM 0 HG3 GLU A 10 7.588 2.313 -11.484 1.00 11.03 H new ATOM 155 N GLN A 11 9.608 -1.159 -14.644 1.00 51.30 N ATOM 156 CA GLN A 11 10.544 -1.875 -15.502 1.00 42.22 C ATOM 157 C GLN A 11 9.820 -2.519 -16.680 1.00 11.31 C ATOM 158 O GLN A 11 10.442 -3.152 -17.534 1.00 40.20 O ATOM 159 CB GLN A 11 11.289 -2.943 -14.700 1.00 71.42 C ATOM 160 CG GLN A 11 11.926 -2.414 -13.425 1.00 53.25 C ATOM 161 CD GLN A 11 13.418 -2.673 -13.367 1.00 43.35 C ATOM 162 OE1 GLN A 11 14.224 -1.800 -13.691 1.00 4.13 O ATOM 163 NE2 GLN A 11 13.795 -3.877 -12.954 1.00 32.11 N ATOM 0 H GLN A 11 9.238 -1.711 -13.870 1.00 51.30 H new ATOM 0 HA GLN A 11 11.264 -1.155 -15.892 1.00 42.22 H new ATOM 0 HB2 GLN A 11 10.595 -3.743 -14.444 1.00 71.42 H new ATOM 0 HB3 GLN A 11 12.064 -3.382 -15.328 1.00 71.42 H new ATOM 0 HG2 GLN A 11 11.744 -1.342 -13.350 1.00 53.25 H new ATOM 0 HG3 GLN A 11 11.447 -2.879 -12.564 1.00 53.25 H new ATOM 0 HE21 GLN A 11 13.093 -4.570 -12.695 1.00 32.11 H new ATOM 0 HE22 GLN A 11 14.787 -4.109 -12.895 1.00 32.11 H new ATOM 172 N LEU A 12 8.502 -2.354 -16.719 1.00 44.24 N ATOM 173 CA LEU A 12 7.692 -2.919 -17.793 1.00 24.21 C ATOM 174 C LEU A 12 7.981 -2.222 -19.118 1.00 45.24 C ATOM 175 O LEU A 12 8.666 -1.199 -19.159 1.00 25.25 O ATOM 176 CB LEU A 12 6.206 -2.799 -17.454 1.00 74.10 C ATOM 177 CG LEU A 12 5.720 -3.624 -16.261 1.00 43.15 C ATOM 178 CD1 LEU A 12 4.241 -3.378 -16.009 1.00 72.32 C ATOM 179 CD2 LEU A 12 5.985 -5.104 -16.494 1.00 31.41 C ATOM 0 H LEU A 12 7.972 -1.834 -16.020 1.00 44.24 H new ATOM 0 HA LEU A 12 7.951 -3.973 -17.894 1.00 24.21 H new ATOM 0 HB2 LEU A 12 5.982 -1.750 -17.260 1.00 74.10 H new ATOM 0 HB3 LEU A 12 5.629 -3.091 -18.331 1.00 74.10 H new ATOM 0 HG LEU A 12 6.274 -3.311 -15.376 1.00 43.15 H new ATOM 0 HD11 LEU A 12 3.913 -3.973 -15.157 1.00 72.32 H new ATOM 0 HD12 LEU A 12 4.079 -2.321 -15.797 1.00 72.32 H new ATOM 0 HD13 LEU A 12 3.669 -3.663 -16.892 1.00 72.32 H new ATOM 0 HD21 LEU A 12 5.633 -5.676 -15.636 1.00 31.41 H new ATOM 0 HD22 LEU A 12 5.457 -5.432 -17.390 1.00 31.41 H new ATOM 0 HD23 LEU A 12 7.055 -5.266 -16.624 1.00 31.41 H new ATOM 191 N THR A 13 7.453 -2.781 -20.203 1.00 10.51 N ATOM 192 CA THR A 13 7.653 -2.212 -21.530 1.00 31.30 C ATOM 193 C THR A 13 6.771 -0.987 -21.742 1.00 72.42 C ATOM 194 O THR A 13 5.635 -0.941 -21.272 1.00 75.23 O ATOM 195 CB THR A 13 7.353 -3.244 -22.634 1.00 23.12 C ATOM 196 OG1 THR A 13 6.946 -4.485 -22.047 1.00 21.12 O ATOM 197 CG2 THR A 13 8.576 -3.469 -23.511 1.00 11.14 C ATOM 0 H THR A 13 6.884 -3.627 -20.188 1.00 10.51 H new ATOM 0 HA THR A 13 8.700 -1.917 -21.593 1.00 31.30 H new ATOM 0 HB THR A 13 6.546 -2.855 -23.255 1.00 23.12 H new ATOM 0 HG1 THR A 13 6.756 -5.135 -22.755 1.00 21.12 H new ATOM 0 HG21 THR A 13 8.340 -4.201 -24.283 1.00 11.14 H new ATOM 0 HG22 THR A 13 8.866 -2.528 -23.979 1.00 11.14 H new ATOM 0 HG23 THR A 13 9.399 -3.839 -22.900 1.00 11.14 H new ATOM 205 N GLU A 14 7.302 0.002 -22.453 1.00 54.53 N ATOM 206 CA GLU A 14 6.561 1.228 -22.727 1.00 53.20 C ATOM 207 C GLU A 14 5.187 0.914 -23.314 1.00 4.32 C ATOM 208 O GLU A 14 4.183 1.503 -22.917 1.00 13.22 O ATOM 209 CB GLU A 14 7.347 2.121 -23.689 1.00 55.52 C ATOM 210 CG GLU A 14 8.724 2.505 -23.176 1.00 23.20 C ATOM 211 CD GLU A 14 9.597 3.121 -24.252 1.00 63.52 C ATOM 212 OE1 GLU A 14 9.547 2.639 -25.403 1.00 71.15 O ATOM 213 OE2 GLU A 14 10.330 4.083 -23.944 1.00 25.14 O ATOM 0 H GLU A 14 8.241 -0.021 -22.850 1.00 54.53 H new ATOM 0 HA GLU A 14 6.422 1.757 -21.784 1.00 53.20 H new ATOM 0 HB2 GLU A 14 7.455 1.606 -24.643 1.00 55.52 H new ATOM 0 HB3 GLU A 14 6.774 3.028 -23.880 1.00 55.52 H new ATOM 0 HG2 GLU A 14 8.617 3.211 -22.352 1.00 23.20 H new ATOM 0 HG3 GLU A 14 9.218 1.620 -22.775 1.00 23.20 H new ATOM 220 N GLU A 15 5.154 -0.017 -24.262 1.00 22.33 N ATOM 221 CA GLU A 15 3.905 -0.408 -24.904 1.00 70.21 C ATOM 222 C GLU A 15 2.962 -1.068 -23.903 1.00 35.43 C ATOM 223 O GLU A 15 1.759 -0.808 -23.904 1.00 12.35 O ATOM 224 CB GLU A 15 4.181 -1.363 -26.067 1.00 71.15 C ATOM 225 CG GLU A 15 4.513 -0.655 -27.370 1.00 70.23 C ATOM 226 CD GLU A 15 3.318 0.066 -27.964 1.00 21.44 C ATOM 227 OE1 GLU A 15 2.265 0.117 -27.294 1.00 73.25 O ATOM 228 OE2 GLU A 15 3.436 0.578 -29.096 1.00 52.01 O ATOM 0 H GLU A 15 5.977 -0.514 -24.602 1.00 22.33 H new ATOM 0 HA GLU A 15 3.426 0.493 -25.288 1.00 70.21 H new ATOM 0 HB2 GLU A 15 5.009 -2.019 -25.799 1.00 71.15 H new ATOM 0 HB3 GLU A 15 3.308 -1.997 -26.220 1.00 71.15 H new ATOM 0 HG2 GLU A 15 5.315 0.062 -27.195 1.00 70.23 H new ATOM 0 HG3 GLU A 15 4.888 -1.383 -28.089 1.00 70.23 H new ATOM 235 N GLN A 16 3.517 -1.924 -23.051 1.00 71.40 N ATOM 236 CA GLN A 16 2.725 -2.623 -22.046 1.00 21.05 C ATOM 237 C GLN A 16 2.071 -1.635 -21.085 1.00 75.33 C ATOM 238 O GLN A 16 0.889 -1.758 -20.762 1.00 11.33 O ATOM 239 CB GLN A 16 3.602 -3.605 -21.267 1.00 4.44 C ATOM 240 CG GLN A 16 4.074 -4.789 -22.095 1.00 14.00 C ATOM 241 CD GLN A 16 2.950 -5.748 -22.434 1.00 35.11 C ATOM 242 OE1 GLN A 16 2.011 -5.395 -23.148 1.00 51.14 O ATOM 243 NE2 GLN A 16 3.039 -6.970 -21.922 1.00 20.01 N ATOM 0 H GLN A 16 4.512 -2.150 -23.037 1.00 71.40 H new ATOM 0 HA GLN A 16 1.939 -3.177 -22.560 1.00 21.05 H new ATOM 0 HB2 GLN A 16 4.471 -3.074 -20.879 1.00 4.44 H new ATOM 0 HB3 GLN A 16 3.044 -3.974 -20.406 1.00 4.44 H new ATOM 0 HG2 GLN A 16 4.527 -4.425 -23.017 1.00 14.00 H new ATOM 0 HG3 GLN A 16 4.850 -5.324 -21.548 1.00 14.00 H new ATOM 0 HE21 GLN A 16 3.835 -7.220 -21.335 1.00 20.01 H new ATOM 0 HE22 GLN A 16 2.312 -7.658 -22.116 1.00 20.01 H new ATOM 252 N LYS A 17 2.846 -0.656 -20.632 1.00 71.21 N ATOM 253 CA LYS A 17 2.343 0.354 -19.709 1.00 55.22 C ATOM 254 C LYS A 17 1.241 1.185 -20.360 1.00 3.10 C ATOM 255 O LYS A 17 0.262 1.551 -19.712 1.00 2.54 O ATOM 256 CB LYS A 17 3.481 1.268 -19.250 1.00 23.42 C ATOM 257 CG LYS A 17 4.460 0.591 -18.306 1.00 1.44 C ATOM 258 CD LYS A 17 3.830 0.320 -16.950 1.00 20.22 C ATOM 259 CE LYS A 17 4.118 1.444 -15.966 1.00 73.23 C ATOM 260 NZ LYS A 17 2.938 2.333 -15.780 1.00 0.30 N ATOM 0 H LYS A 17 3.826 -0.540 -20.889 1.00 71.21 H new ATOM 0 HA LYS A 17 1.925 -0.158 -18.842 1.00 55.22 H new ATOM 0 HB2 LYS A 17 4.022 1.628 -20.125 1.00 23.42 H new ATOM 0 HB3 LYS A 17 3.057 2.142 -18.755 1.00 23.42 H new ATOM 0 HG2 LYS A 17 4.800 -0.347 -18.744 1.00 1.44 H new ATOM 0 HG3 LYS A 17 5.340 1.221 -18.180 1.00 1.44 H new ATOM 0 HD2 LYS A 17 2.752 0.203 -17.065 1.00 20.22 H new ATOM 0 HD3 LYS A 17 4.212 -0.620 -16.552 1.00 20.22 H new ATOM 0 HE2 LYS A 17 4.408 1.020 -15.005 1.00 73.23 H new ATOM 0 HE3 LYS A 17 4.963 2.032 -16.323 1.00 73.23 H new ATOM 0 HZ1 LYS A 17 3.174 3.086 -15.103 1.00 0.30 H new ATOM 0 HZ2 LYS A 17 2.676 2.758 -16.692 1.00 0.30 H new ATOM 0 HZ3 LYS A 17 2.139 1.777 -15.415 1.00 0.30 H new ATOM 274 N ASN A 18 1.408 1.478 -21.646 1.00 23.43 N ATOM 275 CA ASN A 18 0.427 2.265 -22.384 1.00 64.42 C ATOM 276 C ASN A 18 -0.923 1.556 -22.419 1.00 15.41 C ATOM 277 O ASN A 18 -1.959 2.161 -22.143 1.00 0.01 O ATOM 278 CB ASN A 18 0.918 2.521 -23.810 1.00 41.35 C ATOM 279 CG ASN A 18 1.434 3.935 -23.999 1.00 31.11 C ATOM 280 OD1 ASN A 18 0.790 4.902 -23.592 1.00 20.15 O ATOM 281 ND2 ASN A 18 2.601 4.061 -24.619 1.00 62.23 N ATOM 0 H ASN A 18 2.213 1.182 -22.198 1.00 23.43 H new ATOM 0 HA ASN A 18 0.303 3.219 -21.872 1.00 64.42 H new ATOM 0 HB2 ASN A 18 1.711 1.813 -24.051 1.00 41.35 H new ATOM 0 HB3 ASN A 18 0.103 2.338 -24.510 1.00 41.35 H new ATOM 0 HD21 ASN A 18 2.998 4.987 -24.775 1.00 62.23 H new ATOM 0 HD22 ASN A 18 3.100 3.231 -24.940 1.00 62.23 H new ATOM 288 N GLU A 19 -0.903 0.272 -22.759 1.00 74.54 N ATOM 289 CA GLU A 19 -2.127 -0.518 -22.830 1.00 70.43 C ATOM 290 C GLU A 19 -2.732 -0.710 -21.442 1.00 61.35 C ATOM 291 O GLU A 19 -3.951 -0.790 -21.290 1.00 10.41 O ATOM 292 CB GLU A 19 -1.845 -1.880 -23.468 1.00 71.25 C ATOM 293 CG GLU A 19 -1.543 -1.805 -24.956 1.00 2.44 C ATOM 294 CD GLU A 19 -1.711 -3.140 -25.654 1.00 22.12 C ATOM 295 OE1 GLU A 19 -1.752 -4.174 -24.955 1.00 74.33 O ATOM 296 OE2 GLU A 19 -1.801 -3.150 -26.899 1.00 62.55 O ATOM 0 H GLU A 19 -0.054 -0.244 -22.990 1.00 74.54 H new ATOM 0 HA GLU A 19 -2.843 0.024 -23.448 1.00 70.43 H new ATOM 0 HB2 GLU A 19 -1.001 -2.343 -22.957 1.00 71.25 H new ATOM 0 HB3 GLU A 19 -2.706 -2.530 -23.313 1.00 71.25 H new ATOM 0 HG2 GLU A 19 -2.202 -1.071 -25.420 1.00 2.44 H new ATOM 0 HG3 GLU A 19 -0.522 -1.451 -25.098 1.00 2.44 H new ATOM 303 N PHE A 20 -1.871 -0.785 -20.433 1.00 44.23 N ATOM 304 CA PHE A 20 -2.319 -0.969 -19.058 1.00 24.12 C ATOM 305 C PHE A 20 -3.099 0.249 -18.572 1.00 71.23 C ATOM 306 O PHE A 20 -4.038 0.126 -17.785 1.00 43.10 O ATOM 307 CB PHE A 20 -1.122 -1.222 -18.139 1.00 3.53 C ATOM 308 CG PHE A 20 -0.733 -2.669 -18.045 1.00 20.35 C ATOM 309 CD1 PHE A 20 -0.795 -3.491 -19.159 1.00 5.42 C ATOM 310 CD2 PHE A 20 -0.306 -3.209 -16.842 1.00 44.21 C ATOM 311 CE1 PHE A 20 -0.438 -4.823 -19.075 1.00 32.34 C ATOM 312 CE2 PHE A 20 0.053 -4.541 -16.752 1.00 15.21 C ATOM 313 CZ PHE A 20 -0.013 -5.349 -17.870 1.00 40.30 C ATOM 0 H PHE A 20 -0.859 -0.721 -20.542 1.00 44.23 H new ATOM 0 HA PHE A 20 -2.979 -1.836 -19.030 1.00 24.12 H new ATOM 0 HB2 PHE A 20 -0.269 -0.648 -18.500 1.00 3.53 H new ATOM 0 HB3 PHE A 20 -1.356 -0.851 -17.141 1.00 3.53 H new ATOM 0 HD1 PHE A 20 -1.126 -3.086 -20.104 1.00 5.42 H new ATOM 0 HD2 PHE A 20 -0.253 -2.582 -15.964 1.00 44.21 H new ATOM 0 HE1 PHE A 20 -0.491 -5.453 -19.951 1.00 32.34 H new ATOM 0 HE2 PHE A 20 0.385 -4.949 -15.809 1.00 15.21 H new ATOM 0 HZ PHE A 20 0.267 -6.390 -17.803 1.00 40.30 H new ATOM 323 N LYS A 21 -2.704 1.425 -19.047 1.00 42.11 N ATOM 324 CA LYS A 21 -3.365 2.667 -18.664 1.00 22.13 C ATOM 325 C LYS A 21 -4.636 2.881 -19.479 1.00 33.43 C ATOM 326 O LYS A 21 -5.634 3.387 -18.968 1.00 15.34 O ATOM 327 CB LYS A 21 -2.418 3.853 -18.856 1.00 4.40 C ATOM 328 CG LYS A 21 -2.828 5.092 -18.078 1.00 73.24 C ATOM 329 CD LYS A 21 -3.269 6.212 -19.006 1.00 21.03 C ATOM 330 CE LYS A 21 -2.181 7.263 -19.166 1.00 15.32 C ATOM 331 NZ LYS A 21 -1.353 7.024 -20.380 1.00 22.34 N ATOM 0 H LYS A 21 -1.928 1.544 -19.699 1.00 42.11 H new ATOM 0 HA LYS A 21 -3.638 2.594 -17.611 1.00 22.13 H new ATOM 0 HB2 LYS A 21 -1.414 3.558 -18.551 1.00 4.40 H new ATOM 0 HB3 LYS A 21 -2.369 4.100 -19.917 1.00 4.40 H new ATOM 0 HG2 LYS A 21 -3.641 4.842 -17.396 1.00 73.24 H new ATOM 0 HG3 LYS A 21 -1.992 5.432 -17.467 1.00 73.24 H new ATOM 0 HD2 LYS A 21 -3.524 5.799 -19.982 1.00 21.03 H new ATOM 0 HD3 LYS A 21 -4.172 6.678 -18.612 1.00 21.03 H new ATOM 0 HE2 LYS A 21 -2.637 8.251 -19.226 1.00 15.32 H new ATOM 0 HE3 LYS A 21 -1.541 7.260 -18.284 1.00 15.32 H new ATOM 0 HZ1 LYS A 21 -0.623 7.761 -20.453 1.00 22.34 H new ATOM 0 HZ2 LYS A 21 -0.897 6.092 -20.311 1.00 22.34 H new ATOM 0 HZ3 LYS A 21 -1.959 7.052 -21.225 1.00 22.34 H new ATOM 345 N ALA A 22 -4.593 2.490 -20.748 1.00 63.32 N ATOM 346 CA ALA A 22 -5.742 2.635 -21.632 1.00 54.43 C ATOM 347 C ALA A 22 -6.827 1.618 -21.295 1.00 10.14 C ATOM 348 O ALA A 22 -7.987 1.977 -21.096 1.00 33.32 O ATOM 349 CB ALA A 22 -5.313 2.490 -23.085 1.00 31.43 C ATOM 0 H ALA A 22 -3.774 2.070 -21.187 1.00 63.32 H new ATOM 0 HA ALA A 22 -6.157 3.632 -21.485 1.00 54.43 H new ATOM 0 HB1 ALA A 22 -6.182 2.601 -23.734 1.00 31.43 H new ATOM 0 HB2 ALA A 22 -4.580 3.259 -23.326 1.00 31.43 H new ATOM 0 HB3 ALA A 22 -4.870 1.506 -23.237 1.00 31.43 H new ATOM 355 N ALA A 23 -6.442 0.348 -21.232 1.00 65.22 N ATOM 356 CA ALA A 23 -7.381 -0.721 -20.917 1.00 72.14 C ATOM 357 C ALA A 23 -8.035 -0.495 -19.558 1.00 65.02 C ATOM 358 O ALA A 23 -9.108 -1.029 -19.278 1.00 0.33 O ATOM 359 CB ALA A 23 -6.677 -2.069 -20.949 1.00 22.41 C ATOM 0 H ALA A 23 -5.485 0.034 -21.395 1.00 65.22 H new ATOM 0 HA ALA A 23 -8.166 -0.716 -21.674 1.00 72.14 H new ATOM 0 HB1 ALA A 23 -7.391 -2.858 -20.712 1.00 22.41 H new ATOM 0 HB2 ALA A 23 -6.264 -2.240 -21.943 1.00 22.41 H new ATOM 0 HB3 ALA A 23 -5.871 -2.076 -20.215 1.00 22.41 H new ATOM 365 N PHE A 24 -7.380 0.299 -18.717 1.00 20.41 N ATOM 366 CA PHE A 24 -7.897 0.594 -17.386 1.00 22.13 C ATOM 367 C PHE A 24 -9.083 1.550 -17.463 1.00 12.43 C ATOM 368 O PHE A 24 -9.999 1.488 -16.642 1.00 42.11 O ATOM 369 CB PHE A 24 -6.796 1.198 -16.511 1.00 34.44 C ATOM 370 CG PHE A 24 -7.288 1.675 -15.174 1.00 23.32 C ATOM 371 CD1 PHE A 24 -7.420 0.792 -14.114 1.00 71.42 C ATOM 372 CD2 PHE A 24 -7.617 3.006 -14.977 1.00 4.05 C ATOM 373 CE1 PHE A 24 -7.873 1.228 -12.883 1.00 63.04 C ATOM 374 CE2 PHE A 24 -8.069 3.448 -13.748 1.00 14.33 C ATOM 375 CZ PHE A 24 -8.197 2.558 -12.700 1.00 5.15 C ATOM 0 H PHE A 24 -6.491 0.749 -18.934 1.00 20.41 H new ATOM 0 HA PHE A 24 -8.235 -0.341 -16.939 1.00 22.13 H new ATOM 0 HB2 PHE A 24 -6.015 0.453 -16.357 1.00 34.44 H new ATOM 0 HB3 PHE A 24 -6.339 2.034 -17.041 1.00 34.44 H new ATOM 0 HD1 PHE A 24 -7.166 -0.249 -14.251 1.00 71.42 H new ATOM 0 HD2 PHE A 24 -7.519 3.706 -15.793 1.00 4.05 H new ATOM 0 HE1 PHE A 24 -7.973 0.530 -12.065 1.00 63.04 H new ATOM 0 HE2 PHE A 24 -8.322 4.489 -13.607 1.00 14.33 H new ATOM 0 HZ PHE A 24 -8.550 2.901 -11.739 1.00 5.15 H new ATOM 385 N ASP A 25 -9.059 2.435 -18.454 1.00 21.24 N ATOM 386 CA ASP A 25 -10.132 3.405 -18.639 1.00 61.33 C ATOM 387 C ASP A 25 -11.435 2.708 -19.020 1.00 25.14 C ATOM 388 O ASP A 25 -12.510 3.084 -18.552 1.00 71.34 O ATOM 389 CB ASP A 25 -9.749 4.421 -19.717 1.00 31.33 C ATOM 390 CG ASP A 25 -10.854 5.424 -19.985 1.00 63.21 C ATOM 391 OD1 ASP A 25 -11.586 5.768 -19.034 1.00 72.43 O ATOM 392 OD2 ASP A 25 -10.986 5.864 -21.146 1.00 52.34 O ATOM 0 H ASP A 25 -8.308 2.500 -19.141 1.00 21.24 H new ATOM 0 HA ASP A 25 -10.283 3.928 -17.695 1.00 61.33 H new ATOM 0 HB2 ASP A 25 -8.848 4.951 -19.409 1.00 31.33 H new ATOM 0 HB3 ASP A 25 -9.509 3.894 -20.640 1.00 31.33 H new ATOM 397 N ILE A 26 -11.330 1.693 -19.870 1.00 61.43 N ATOM 398 CA ILE A 26 -12.500 0.944 -20.313 1.00 64.00 C ATOM 399 C ILE A 26 -13.131 0.176 -19.157 1.00 1.14 C ATOM 400 O ILE A 26 -14.332 -0.095 -19.159 1.00 41.51 O ATOM 401 CB ILE A 26 -12.142 -0.046 -21.437 1.00 70.03 C ATOM 402 CG1 ILE A 26 -11.596 0.705 -22.653 1.00 41.03 C ATOM 403 CG2 ILE A 26 -13.360 -0.873 -21.822 1.00 24.23 C ATOM 404 CD1 ILE A 26 -10.086 0.684 -22.748 1.00 53.44 C ATOM 0 H ILE A 26 -10.447 1.370 -20.266 1.00 61.43 H new ATOM 0 HA ILE A 26 -13.215 1.673 -20.695 1.00 64.00 H new ATOM 0 HB ILE A 26 -11.368 -0.722 -21.073 1.00 70.03 H new ATOM 0 HG12 ILE A 26 -12.015 0.267 -23.559 1.00 41.03 H new ATOM 0 HG13 ILE A 26 -11.935 1.740 -22.613 1.00 41.03 H new ATOM 0 HG21 ILE A 26 -13.091 -1.568 -22.617 1.00 24.23 H new ATOM 0 HG22 ILE A 26 -13.709 -1.432 -20.954 1.00 24.23 H new ATOM 0 HG23 ILE A 26 -14.153 -0.212 -22.171 1.00 24.23 H new ATOM 0 HD11 ILE A 26 -9.769 1.235 -23.633 1.00 53.44 H new ATOM 0 HD12 ILE A 26 -9.659 1.149 -21.859 1.00 53.44 H new ATOM 0 HD13 ILE A 26 -9.740 -0.347 -22.820 1.00 53.44 H new ATOM 416 N PHE A 27 -12.314 -0.171 -18.168 1.00 4.11 N ATOM 417 CA PHE A 27 -12.792 -0.907 -17.003 1.00 63.15 C ATOM 418 C PHE A 27 -13.496 0.025 -16.022 1.00 41.20 C ATOM 419 O PHE A 27 -14.528 -0.323 -15.449 1.00 31.33 O ATOM 420 CB PHE A 27 -11.627 -1.614 -16.307 1.00 11.11 C ATOM 421 CG PHE A 27 -11.275 -2.938 -16.923 1.00 4.33 C ATOM 422 CD1 PHE A 27 -11.019 -3.039 -18.281 1.00 12.22 C ATOM 423 CD2 PHE A 27 -11.198 -4.081 -16.144 1.00 10.24 C ATOM 424 CE1 PHE A 27 -10.695 -4.256 -18.850 1.00 54.10 C ATOM 425 CE2 PHE A 27 -10.874 -5.301 -16.707 1.00 52.31 C ATOM 426 CZ PHE A 27 -10.622 -5.388 -18.062 1.00 44.01 C ATOM 0 H PHE A 27 -11.317 0.046 -18.150 1.00 4.11 H new ATOM 0 HA PHE A 27 -13.509 -1.654 -17.345 1.00 63.15 H new ATOM 0 HB2 PHE A 27 -10.751 -0.966 -16.333 1.00 11.11 H new ATOM 0 HB3 PHE A 27 -11.880 -1.766 -15.258 1.00 11.11 H new ATOM 0 HD1 PHE A 27 -11.073 -2.157 -18.902 1.00 12.22 H new ATOM 0 HD2 PHE A 27 -11.394 -4.018 -15.084 1.00 10.24 H new ATOM 0 HE1 PHE A 27 -10.499 -4.322 -19.910 1.00 54.10 H new ATOM 0 HE2 PHE A 27 -10.818 -6.185 -16.088 1.00 52.31 H new ATOM 0 HZ PHE A 27 -10.368 -6.340 -18.505 1.00 44.01 H new ATOM 436 N VAL A 28 -12.929 1.213 -15.833 1.00 74.11 N ATOM 437 CA VAL A 28 -13.502 2.197 -14.922 1.00 21.42 C ATOM 438 C VAL A 28 -14.585 3.019 -15.611 1.00 30.02 C ATOM 439 O VAL A 28 -15.129 3.960 -15.031 1.00 3.00 O ATOM 440 CB VAL A 28 -12.422 3.148 -14.372 1.00 72.42 C ATOM 441 CG1 VAL A 28 -11.403 2.378 -13.546 1.00 12.25 C ATOM 442 CG2 VAL A 28 -11.743 3.896 -15.509 1.00 62.33 C ATOM 0 H VAL A 28 -12.074 1.517 -16.299 1.00 74.11 H new ATOM 0 HA VAL A 28 -13.943 1.643 -14.094 1.00 21.42 H new ATOM 0 HB VAL A 28 -12.903 3.879 -13.722 1.00 72.42 H new ATOM 0 HG11 VAL A 28 -10.648 3.066 -13.166 1.00 12.25 H new ATOM 0 HG12 VAL A 28 -11.905 1.892 -12.709 1.00 12.25 H new ATOM 0 HG13 VAL A 28 -10.925 1.623 -14.170 1.00 12.25 H new ATOM 0 HG21 VAL A 28 -10.983 4.563 -15.103 1.00 62.33 H new ATOM 0 HG22 VAL A 28 -11.274 3.182 -16.186 1.00 62.33 H new ATOM 0 HG23 VAL A 28 -12.484 4.480 -16.054 1.00 62.33 H new ATOM 452 N LEU A 29 -14.895 2.658 -16.851 1.00 42.11 N ATOM 453 CA LEU A 29 -15.915 3.362 -17.621 1.00 4.33 C ATOM 454 C LEU A 29 -17.249 3.367 -16.881 1.00 63.41 C ATOM 455 O LEU A 29 -18.092 4.234 -17.106 1.00 60.31 O ATOM 456 CB LEU A 29 -16.083 2.713 -18.996 1.00 2.34 C ATOM 457 CG LEU A 29 -15.358 3.398 -20.154 1.00 45.34 C ATOM 458 CD1 LEU A 29 -15.576 2.631 -21.449 1.00 53.12 C ATOM 459 CD2 LEU A 29 -15.826 4.839 -20.300 1.00 73.31 C ATOM 0 H LEU A 29 -14.455 1.882 -17.345 1.00 42.11 H new ATOM 0 HA LEU A 29 -15.589 4.394 -17.751 1.00 4.33 H new ATOM 0 HB2 LEU A 29 -15.734 1.682 -18.934 1.00 2.34 H new ATOM 0 HB3 LEU A 29 -17.147 2.676 -19.231 1.00 2.34 H new ATOM 0 HG LEU A 29 -14.290 3.405 -19.935 1.00 45.34 H new ATOM 0 HD11 LEU A 29 -15.052 3.134 -22.262 1.00 53.12 H new ATOM 0 HD12 LEU A 29 -15.190 1.617 -21.341 1.00 53.12 H new ATOM 0 HD13 LEU A 29 -16.642 2.592 -21.673 1.00 53.12 H new ATOM 0 HD21 LEU A 29 -15.299 5.311 -21.129 1.00 73.31 H new ATOM 0 HD22 LEU A 29 -16.898 4.855 -20.495 1.00 73.31 H new ATOM 0 HD23 LEU A 29 -15.617 5.385 -19.380 1.00 73.31 H new ATOM 471 N GLY A 30 -17.432 2.392 -15.995 1.00 62.04 N ATOM 472 CA GLY A 30 -18.664 2.303 -15.234 1.00 53.23 C ATOM 473 C GLY A 30 -18.616 3.117 -13.956 1.00 74.23 C ATOM 474 O GLY A 30 -19.647 3.580 -13.469 1.00 2.33 O ATOM 0 H GLY A 30 -16.749 1.663 -15.791 1.00 62.04 H new ATOM 0 HA2 GLY A 30 -19.494 2.649 -15.850 1.00 53.23 H new ATOM 0 HA3 GLY A 30 -18.862 1.259 -14.989 1.00 53.23 H new ATOM 478 N ALA A 31 -17.417 3.290 -13.411 1.00 64.43 N ATOM 479 CA ALA A 31 -17.239 4.053 -12.182 1.00 63.23 C ATOM 480 C ALA A 31 -17.395 5.548 -12.437 1.00 51.11 C ATOM 481 O ALA A 31 -17.479 5.986 -13.584 1.00 74.51 O ATOM 482 CB ALA A 31 -15.876 3.759 -11.571 1.00 54.33 C ATOM 0 H ALA A 31 -16.554 2.912 -13.801 1.00 64.43 H new ATOM 0 HA ALA A 31 -18.014 3.748 -11.479 1.00 63.23 H new ATOM 0 HB1 ALA A 31 -15.756 4.336 -10.654 1.00 54.33 H new ATOM 0 HB2 ALA A 31 -15.801 2.696 -11.344 1.00 54.33 H new ATOM 0 HB3 ALA A 31 -15.093 4.035 -12.278 1.00 54.33 H new ATOM 488 N GLU A 32 -17.434 6.326 -11.360 1.00 40.51 N ATOM 489 CA GLU A 32 -17.582 7.773 -11.469 1.00 10.12 C ATOM 490 C GLU A 32 -16.267 8.480 -11.154 1.00 22.25 C ATOM 491 O GLU A 32 -15.917 9.475 -11.789 1.00 23.34 O ATOM 492 CB GLU A 32 -18.679 8.268 -10.524 1.00 10.20 C ATOM 493 CG GLU A 32 -19.064 9.721 -10.747 1.00 74.10 C ATOM 494 CD GLU A 32 -19.969 9.906 -11.950 1.00 13.44 C ATOM 495 OE1 GLU A 32 -20.805 9.015 -12.207 1.00 50.11 O ATOM 496 OE2 GLU A 32 -19.841 10.944 -12.633 1.00 74.11 O ATOM 0 H GLU A 32 -17.365 5.979 -10.403 1.00 40.51 H new ATOM 0 HA GLU A 32 -17.863 8.007 -12.496 1.00 10.12 H new ATOM 0 HB2 GLU A 32 -19.563 7.643 -10.649 1.00 10.20 H new ATOM 0 HB3 GLU A 32 -18.343 8.144 -9.494 1.00 10.20 H new ATOM 0 HG2 GLU A 32 -19.566 10.101 -9.857 1.00 74.10 H new ATOM 0 HG3 GLU A 32 -18.161 10.316 -10.881 1.00 74.10 H new ATOM 503 N ASP A 33 -15.544 7.959 -10.169 1.00 24.15 N ATOM 504 CA ASP A 33 -14.267 8.539 -9.768 1.00 62.32 C ATOM 505 C ASP A 33 -13.124 7.961 -10.597 1.00 40.35 C ATOM 506 O ASP A 33 -12.114 8.625 -10.827 1.00 63.45 O ATOM 507 CB ASP A 33 -14.012 8.287 -8.281 1.00 51.32 C ATOM 508 CG ASP A 33 -15.171 8.733 -7.412 1.00 34.22 C ATOM 509 OD1 ASP A 33 -16.171 7.989 -7.330 1.00 52.31 O ATOM 510 OD2 ASP A 33 -15.079 9.825 -6.814 1.00 13.53 O ATOM 0 H ASP A 33 -15.820 7.136 -9.633 1.00 24.15 H new ATOM 0 HA ASP A 33 -14.313 9.614 -9.944 1.00 62.32 H new ATOM 0 HB2 ASP A 33 -13.830 7.224 -8.121 1.00 51.32 H new ATOM 0 HB3 ASP A 33 -13.108 8.815 -7.976 1.00 51.32 H new ATOM 515 N GLY A 34 -13.291 6.720 -11.043 1.00 72.22 N ATOM 516 CA GLY A 34 -12.265 6.074 -11.841 1.00 34.52 C ATOM 517 C GLY A 34 -11.637 4.892 -11.129 1.00 65.15 C ATOM 518 O GLY A 34 -10.422 4.854 -10.929 1.00 0.22 O ATOM 0 H GLY A 34 -14.118 6.150 -10.866 1.00 72.22 H new ATOM 0 HA2 GLY A 34 -12.699 5.738 -12.783 1.00 34.52 H new ATOM 0 HA3 GLY A 34 -11.490 6.800 -12.088 1.00 34.52 H new ATOM 522 N CYS A 35 -12.464 3.926 -10.746 1.00 23.11 N ATOM 523 CA CYS A 35 -11.982 2.738 -10.050 1.00 4.10 C ATOM 524 C CYS A 35 -12.785 1.507 -10.456 1.00 31.35 C ATOM 525 O CYS A 35 -13.761 1.608 -11.199 1.00 71.24 O ATOM 526 CB CYS A 35 -12.064 2.940 -8.536 1.00 61.12 C ATOM 527 SG CYS A 35 -13.752 3.020 -7.893 1.00 2.21 S ATOM 0 H CYS A 35 -13.471 3.942 -10.905 1.00 23.11 H new ATOM 0 HA CYS A 35 -10.941 2.579 -10.332 1.00 4.10 H new ATOM 0 HB2 CYS A 35 -11.537 2.124 -8.042 1.00 61.12 H new ATOM 0 HB3 CYS A 35 -11.543 3.861 -8.274 1.00 61.12 H new ATOM 0 HG CYS A 35 -13.718 3.190 -6.605 1.00 2.21 H new ATOM 533 N ILE A 36 -12.367 0.346 -9.963 1.00 71.42 N ATOM 534 CA ILE A 36 -13.048 -0.905 -10.275 1.00 64.10 C ATOM 535 C ILE A 36 -13.406 -1.668 -9.004 1.00 53.50 C ATOM 536 O ILE A 36 -12.530 -2.169 -8.301 1.00 24.34 O ATOM 537 CB ILE A 36 -12.183 -1.808 -11.175 1.00 3.43 C ATOM 538 CG1 ILE A 36 -11.854 -1.092 -12.487 1.00 2.05 C ATOM 539 CG2 ILE A 36 -12.896 -3.123 -11.447 1.00 70.42 C ATOM 540 CD1 ILE A 36 -10.372 -0.881 -12.705 1.00 21.03 C ATOM 0 H ILE A 36 -11.561 0.245 -9.346 1.00 71.42 H new ATOM 0 HA ILE A 36 -13.962 -0.642 -10.808 1.00 64.10 H new ATOM 0 HB ILE A 36 -11.249 -2.025 -10.657 1.00 3.43 H new ATOM 0 HG12 ILE A 36 -12.256 -1.671 -13.318 1.00 2.05 H new ATOM 0 HG13 ILE A 36 -12.356 -0.125 -12.499 1.00 2.05 H new ATOM 0 HG21 ILE A 36 -12.272 -3.750 -12.084 1.00 70.42 H new ATOM 0 HG22 ILE A 36 -13.084 -3.637 -10.504 1.00 70.42 H new ATOM 0 HG23 ILE A 36 -13.844 -2.926 -11.948 1.00 70.42 H new ATOM 0 HD11 ILE A 36 -10.213 -0.368 -13.654 1.00 21.03 H new ATOM 0 HD12 ILE A 36 -9.967 -0.276 -11.894 1.00 21.03 H new ATOM 0 HD13 ILE A 36 -9.866 -1.846 -12.725 1.00 21.03 H new ATOM 552 N SER A 37 -14.701 -1.752 -8.717 1.00 13.14 N ATOM 553 CA SER A 37 -15.177 -2.452 -7.529 1.00 2.41 C ATOM 554 C SER A 37 -15.413 -3.929 -7.827 1.00 72.11 C ATOM 555 O SER A 37 -15.808 -4.296 -8.934 1.00 71.43 O ATOM 556 CB SER A 37 -16.467 -1.810 -7.016 1.00 34.33 C ATOM 557 OG SER A 37 -17.593 -2.280 -7.738 1.00 5.00 O ATOM 0 H SER A 37 -15.439 -1.344 -9.290 1.00 13.14 H new ATOM 0 HA SER A 37 -14.410 -2.373 -6.759 1.00 2.41 H new ATOM 0 HB2 SER A 37 -16.592 -2.033 -5.956 1.00 34.33 H new ATOM 0 HB3 SER A 37 -16.399 -0.726 -7.108 1.00 34.33 H new ATOM 0 HG SER A 37 -18.405 -1.856 -7.390 1.00 5.00 H new ATOM 563 N THR A 38 -15.169 -4.774 -6.830 1.00 64.13 N ATOM 564 CA THR A 38 -15.353 -6.212 -6.984 1.00 51.42 C ATOM 565 C THR A 38 -16.733 -6.532 -7.548 1.00 43.42 C ATOM 566 O THR A 38 -16.917 -7.539 -8.231 1.00 74.13 O ATOM 567 CB THR A 38 -15.176 -6.948 -5.643 1.00 11.43 C ATOM 568 OG1 THR A 38 -15.668 -8.288 -5.751 1.00 24.13 O ATOM 569 CG2 THR A 38 -15.911 -6.221 -4.526 1.00 25.21 C ATOM 0 H THR A 38 -14.843 -4.487 -5.907 1.00 64.13 H new ATOM 0 HA THR A 38 -14.589 -6.555 -7.682 1.00 51.42 H new ATOM 0 HB THR A 38 -14.113 -6.970 -5.403 1.00 11.43 H new ATOM 0 HG1 THR A 38 -15.493 -8.769 -4.915 1.00 24.13 H new ATOM 0 HG21 THR A 38 -15.772 -6.759 -3.588 1.00 25.21 H new ATOM 0 HG22 THR A 38 -15.514 -5.211 -4.427 1.00 25.21 H new ATOM 0 HG23 THR A 38 -16.974 -6.172 -4.762 1.00 25.21 H new ATOM 577 N LYS A 39 -17.700 -5.668 -7.259 1.00 1.31 N ATOM 578 CA LYS A 39 -19.064 -5.856 -7.739 1.00 23.53 C ATOM 579 C LYS A 39 -19.130 -5.723 -9.257 1.00 1.22 C ATOM 580 O LYS A 39 -19.738 -6.550 -9.935 1.00 53.42 O ATOM 581 CB LYS A 39 -20.002 -4.839 -7.085 1.00 64.02 C ATOM 582 CG LYS A 39 -21.432 -5.331 -6.948 1.00 30.14 C ATOM 583 CD LYS A 39 -22.156 -5.323 -8.284 1.00 4.42 C ATOM 584 CE LYS A 39 -23.665 -5.308 -8.100 1.00 34.21 C ATOM 585 NZ LYS A 39 -24.172 -3.946 -7.774 1.00 65.14 N ATOM 0 H LYS A 39 -17.564 -4.830 -6.694 1.00 1.31 H new ATOM 0 HA LYS A 39 -19.383 -6.862 -7.466 1.00 23.53 H new ATOM 0 HB2 LYS A 39 -19.618 -4.586 -6.097 1.00 64.02 H new ATOM 0 HB3 LYS A 39 -19.997 -3.922 -7.674 1.00 64.02 H new ATOM 0 HG2 LYS A 39 -21.432 -6.341 -6.539 1.00 30.14 H new ATOM 0 HG3 LYS A 39 -21.968 -4.700 -6.239 1.00 30.14 H new ATOM 0 HD2 LYS A 39 -21.850 -4.449 -8.860 1.00 4.42 H new ATOM 0 HD3 LYS A 39 -21.867 -6.202 -8.861 1.00 4.42 H new ATOM 0 HE2 LYS A 39 -24.145 -5.666 -9.011 1.00 34.21 H new ATOM 0 HE3 LYS A 39 -23.940 -5.998 -7.303 1.00 34.21 H new ATOM 0 HZ1 LYS A 39 -25.205 -3.979 -7.656 1.00 65.14 H new ATOM 0 HZ2 LYS A 39 -23.733 -3.614 -6.891 1.00 65.14 H new ATOM 0 HZ3 LYS A 39 -23.932 -3.292 -8.546 1.00 65.14 H new ATOM 599 N GLU A 40 -18.499 -4.678 -9.782 1.00 42.55 N ATOM 600 CA GLU A 40 -18.486 -4.438 -11.221 1.00 15.33 C ATOM 601 C GLU A 40 -17.478 -5.348 -11.916 1.00 3.25 C ATOM 602 O GLU A 40 -17.666 -5.736 -13.069 1.00 51.13 O ATOM 603 CB GLU A 40 -18.154 -2.973 -11.513 1.00 53.11 C ATOM 604 CG GLU A 40 -18.837 -2.431 -12.758 1.00 1.34 C ATOM 605 CD GLU A 40 -18.508 -3.235 -14.000 1.00 51.35 C ATOM 606 OE1 GLU A 40 -17.311 -3.331 -14.345 1.00 14.41 O ATOM 607 OE2 GLU A 40 -19.447 -3.768 -14.629 1.00 5.54 O ATOM 0 H GLU A 40 -17.990 -3.984 -9.234 1.00 42.55 H new ATOM 0 HA GLU A 40 -19.479 -4.662 -11.610 1.00 15.33 H new ATOM 0 HB2 GLU A 40 -18.444 -2.366 -10.656 1.00 53.11 H new ATOM 0 HB3 GLU A 40 -17.075 -2.869 -11.626 1.00 53.11 H new ATOM 0 HG2 GLU A 40 -19.916 -2.431 -12.605 1.00 1.34 H new ATOM 0 HG3 GLU A 40 -18.537 -1.394 -12.911 1.00 1.34 H new ATOM 614 N LEU A 41 -16.406 -5.684 -11.206 1.00 35.24 N ATOM 615 CA LEU A 41 -15.366 -6.548 -11.753 1.00 34.30 C ATOM 616 C LEU A 41 -15.916 -7.939 -12.053 1.00 71.11 C ATOM 617 O LEU A 41 -15.633 -8.516 -13.102 1.00 74.50 O ATOM 618 CB LEU A 41 -14.194 -6.651 -10.775 1.00 53.24 C ATOM 619 CG LEU A 41 -13.076 -7.617 -11.168 1.00 2.15 C ATOM 620 CD1 LEU A 41 -12.745 -7.479 -12.646 1.00 33.24 C ATOM 621 CD2 LEU A 41 -11.838 -7.373 -10.317 1.00 44.43 C ATOM 0 H LEU A 41 -16.235 -5.371 -10.250 1.00 35.24 H new ATOM 0 HA LEU A 41 -15.015 -6.107 -12.686 1.00 34.30 H new ATOM 0 HB2 LEU A 41 -13.762 -5.658 -10.651 1.00 53.24 H new ATOM 0 HB3 LEU A 41 -14.583 -6.953 -9.803 1.00 53.24 H new ATOM 0 HG LEU A 41 -13.422 -8.635 -10.989 1.00 2.15 H new ATOM 0 HD11 LEU A 41 -11.947 -8.174 -12.907 1.00 33.24 H new ATOM 0 HD12 LEU A 41 -13.631 -7.704 -13.240 1.00 33.24 H new ATOM 0 HD13 LEU A 41 -12.419 -6.459 -12.852 1.00 33.24 H new ATOM 0 HD21 LEU A 41 -11.052 -8.069 -10.610 1.00 44.43 H new ATOM 0 HD22 LEU A 41 -11.491 -6.350 -10.465 1.00 44.43 H new ATOM 0 HD23 LEU A 41 -12.083 -7.524 -9.266 1.00 44.43 H new ATOM 633 N GLY A 42 -16.706 -8.471 -11.125 1.00 24.12 N ATOM 634 CA GLY A 42 -17.284 -9.789 -11.310 1.00 14.03 C ATOM 635 C GLY A 42 -18.064 -9.903 -12.604 1.00 73.25 C ATOM 636 O GLY A 42 -18.235 -10.998 -13.141 1.00 62.12 O ATOM 0 H GLY A 42 -16.956 -8.013 -10.249 1.00 24.12 H new ATOM 0 HA2 GLY A 42 -16.490 -10.535 -11.301 1.00 14.03 H new ATOM 0 HA3 GLY A 42 -17.943 -10.015 -10.471 1.00 14.03 H new ATOM 640 N LYS A 43 -18.541 -8.770 -13.108 1.00 13.11 N ATOM 641 CA LYS A 43 -19.308 -8.746 -14.348 1.00 13.13 C ATOM 642 C LYS A 43 -18.418 -9.065 -15.544 1.00 70.15 C ATOM 643 O LYS A 43 -18.740 -9.933 -16.356 1.00 43.03 O ATOM 644 CB LYS A 43 -19.966 -7.377 -14.538 1.00 63.24 C ATOM 645 CG LYS A 43 -21.037 -7.068 -13.507 1.00 4.24 C ATOM 646 CD LYS A 43 -22.221 -8.012 -13.632 1.00 3.34 C ATOM 647 CE LYS A 43 -22.909 -7.867 -14.980 1.00 52.21 C ATOM 648 NZ LYS A 43 -23.294 -6.455 -15.258 1.00 22.23 N ATOM 0 H LYS A 43 -18.410 -7.855 -12.676 1.00 13.11 H new ATOM 0 HA LYS A 43 -20.084 -9.509 -14.282 1.00 13.13 H new ATOM 0 HB2 LYS A 43 -19.198 -6.605 -14.494 1.00 63.24 H new ATOM 0 HB3 LYS A 43 -20.408 -7.331 -15.533 1.00 63.24 H new ATOM 0 HG2 LYS A 43 -20.613 -7.146 -12.506 1.00 4.24 H new ATOM 0 HG3 LYS A 43 -21.376 -6.039 -13.630 1.00 4.24 H new ATOM 0 HD2 LYS A 43 -21.883 -9.040 -13.504 1.00 3.34 H new ATOM 0 HD3 LYS A 43 -22.935 -7.809 -12.834 1.00 3.34 H new ATOM 0 HE2 LYS A 43 -22.245 -8.224 -15.767 1.00 52.21 H new ATOM 0 HE3 LYS A 43 -23.798 -8.497 -15.003 1.00 52.21 H new ATOM 0 HZ1 LYS A 43 -23.985 -6.430 -16.035 1.00 22.23 H new ATOM 0 HZ2 LYS A 43 -23.717 -6.036 -14.405 1.00 22.23 H new ATOM 0 HZ3 LYS A 43 -22.449 -5.912 -15.529 1.00 22.23 H new ATOM 662 N VAL A 44 -17.296 -8.359 -15.647 1.00 75.01 N ATOM 663 CA VAL A 44 -16.358 -8.569 -16.743 1.00 74.23 C ATOM 664 C VAL A 44 -15.966 -10.038 -16.857 1.00 72.01 C ATOM 665 O VAL A 44 -15.613 -10.515 -17.935 1.00 41.32 O ATOM 666 CB VAL A 44 -15.085 -7.722 -16.563 1.00 10.34 C ATOM 667 CG1 VAL A 44 -14.035 -8.496 -15.780 1.00 40.42 C ATOM 668 CG2 VAL A 44 -14.540 -7.285 -17.914 1.00 52.30 C ATOM 0 H VAL A 44 -17.015 -7.636 -14.984 1.00 75.01 H new ATOM 0 HA VAL A 44 -16.865 -8.259 -17.657 1.00 74.23 H new ATOM 0 HB VAL A 44 -15.342 -6.828 -15.995 1.00 10.34 H new ATOM 0 HG11 VAL A 44 -13.142 -7.882 -15.663 1.00 40.42 H new ATOM 0 HG12 VAL A 44 -14.430 -8.753 -14.797 1.00 40.42 H new ATOM 0 HG13 VAL A 44 -13.779 -9.409 -16.318 1.00 40.42 H new ATOM 0 HG21 VAL A 44 -13.640 -6.687 -17.767 1.00 52.30 H new ATOM 0 HG22 VAL A 44 -14.298 -8.165 -18.511 1.00 52.30 H new ATOM 0 HG23 VAL A 44 -15.290 -6.689 -18.434 1.00 52.30 H new ATOM 678 N MET A 45 -16.032 -10.751 -15.737 1.00 43.33 N ATOM 679 CA MET A 45 -15.685 -12.167 -15.712 1.00 1.11 C ATOM 680 C MET A 45 -16.514 -12.948 -16.726 1.00 74.01 C ATOM 681 O MET A 45 -15.985 -13.772 -17.472 1.00 21.11 O ATOM 682 CB MET A 45 -15.899 -12.741 -14.310 1.00 63.21 C ATOM 683 CG MET A 45 -15.291 -11.891 -13.206 1.00 30.40 C ATOM 684 SD MET A 45 -13.552 -11.514 -13.498 1.00 12.45 S ATOM 685 CE MET A 45 -12.958 -13.094 -14.094 1.00 62.34 C ATOM 0 H MET A 45 -16.322 -10.372 -14.836 1.00 43.33 H new ATOM 0 HA MET A 45 -14.633 -12.263 -15.980 1.00 1.11 H new ATOM 0 HB2 MET A 45 -16.969 -12.846 -14.129 1.00 63.21 H new ATOM 0 HB3 MET A 45 -15.468 -13.741 -14.266 1.00 63.21 H new ATOM 0 HG2 MET A 45 -15.851 -10.960 -13.119 1.00 30.40 H new ATOM 0 HG3 MET A 45 -15.391 -12.413 -12.254 1.00 30.40 H new ATOM 0 HE1 MET A 45 -11.892 -13.184 -13.886 1.00 62.34 H new ATOM 0 HE2 MET A 45 -13.495 -13.898 -13.591 1.00 62.34 H new ATOM 0 HE3 MET A 45 -13.125 -13.163 -15.169 1.00 62.34 H new ATOM 695 N ARG A 46 -17.817 -12.684 -16.748 1.00 3.13 N ATOM 696 CA ARG A 46 -18.719 -13.363 -17.670 1.00 22.44 C ATOM 697 C ARG A 46 -18.306 -13.114 -19.117 1.00 53.33 C ATOM 698 O ARG A 46 -18.311 -14.028 -19.941 1.00 20.23 O ATOM 699 CB ARG A 46 -20.157 -12.892 -17.449 1.00 54.04 C ATOM 700 CG ARG A 46 -20.583 -12.895 -15.990 1.00 43.21 C ATOM 701 CD ARG A 46 -22.097 -12.916 -15.851 1.00 42.12 C ATOM 702 NE ARG A 46 -22.708 -11.679 -16.331 1.00 62.20 N ATOM 703 CZ ARG A 46 -23.999 -11.562 -16.621 1.00 43.41 C ATOM 704 NH1 ARG A 46 -24.810 -12.600 -16.480 1.00 75.44 N ATOM 705 NH2 ARG A 46 -24.480 -10.403 -17.053 1.00 12.14 N ATOM 0 H ARG A 46 -18.271 -12.005 -16.138 1.00 3.13 H new ATOM 0 HA ARG A 46 -18.661 -14.434 -17.474 1.00 22.44 H new ATOM 0 HB2 ARG A 46 -20.265 -11.883 -17.848 1.00 54.04 H new ATOM 0 HB3 ARG A 46 -20.831 -13.533 -18.017 1.00 54.04 H new ATOM 0 HG2 ARG A 46 -20.159 -13.764 -15.488 1.00 43.21 H new ATOM 0 HG3 ARG A 46 -20.183 -12.012 -15.491 1.00 43.21 H new ATOM 0 HD2 ARG A 46 -22.501 -13.760 -16.410 1.00 42.12 H new ATOM 0 HD3 ARG A 46 -22.363 -13.070 -14.805 1.00 42.12 H new ATOM 0 HE ARG A 46 -22.111 -10.861 -16.450 1.00 62.20 H new ATOM 0 HH11 ARG A 46 -24.444 -13.492 -16.148 1.00 75.44 H new ATOM 0 HH12 ARG A 46 -25.801 -12.507 -16.703 1.00 75.44 H new ATOM 0 HH21 ARG A 46 -23.858 -9.602 -17.162 1.00 12.14 H new ATOM 0 HH22 ARG A 46 -25.471 -10.313 -17.276 1.00 12.14 H new ATOM 719 N MET A 47 -17.951 -11.869 -19.420 1.00 23.45 N ATOM 720 CA MET A 47 -17.535 -11.500 -20.768 1.00 1.14 C ATOM 721 C MET A 47 -16.220 -12.179 -21.136 1.00 62.12 C ATOM 722 O MET A 47 -15.957 -12.451 -22.309 1.00 1.24 O ATOM 723 CB MET A 47 -17.387 -9.981 -20.881 1.00 33.34 C ATOM 724 CG MET A 47 -18.630 -9.217 -20.456 1.00 14.44 C ATOM 725 SD MET A 47 -20.048 -9.551 -21.518 1.00 55.30 S ATOM 726 CE MET A 47 -20.776 -7.918 -21.634 1.00 73.25 C ATOM 0 H MET A 47 -17.943 -11.100 -18.751 1.00 23.45 H new ATOM 0 HA MET A 47 -18.304 -11.836 -21.464 1.00 1.14 H new ATOM 0 HB2 MET A 47 -16.545 -9.659 -20.268 1.00 33.34 H new ATOM 0 HB3 MET A 47 -17.147 -9.723 -21.912 1.00 33.34 H new ATOM 0 HG2 MET A 47 -18.880 -9.481 -19.429 1.00 14.44 H new ATOM 0 HG3 MET A 47 -18.416 -8.148 -20.467 1.00 14.44 H new ATOM 0 HE1 MET A 47 -21.667 -7.960 -22.261 1.00 73.25 H new ATOM 0 HE2 MET A 47 -21.050 -7.570 -20.638 1.00 73.25 H new ATOM 0 HE3 MET A 47 -20.055 -7.229 -22.074 1.00 73.25 H new ATOM 736 N LEU A 48 -15.397 -12.451 -20.129 1.00 41.34 N ATOM 737 CA LEU A 48 -14.108 -13.098 -20.348 1.00 32.41 C ATOM 738 C LEU A 48 -14.289 -14.583 -20.648 1.00 2.00 C ATOM 739 O LEU A 48 -13.445 -15.203 -21.293 1.00 70.53 O ATOM 740 CB LEU A 48 -13.211 -12.920 -19.122 1.00 0.31 C ATOM 741 CG LEU A 48 -12.192 -11.782 -19.196 1.00 63.32 C ATOM 742 CD1 LEU A 48 -12.867 -10.487 -19.619 1.00 71.10 C ATOM 743 CD2 LEU A 48 -11.489 -11.607 -17.858 1.00 33.44 C ATOM 0 H LEU A 48 -15.599 -12.234 -19.153 1.00 41.34 H new ATOM 0 HA LEU A 48 -13.634 -12.627 -21.209 1.00 32.41 H new ATOM 0 HB2 LEU A 48 -13.847 -12.756 -18.252 1.00 0.31 H new ATOM 0 HB3 LEU A 48 -12.673 -13.852 -18.952 1.00 0.31 H new ATOM 0 HG LEU A 48 -11.444 -12.039 -19.946 1.00 63.32 H new ATOM 0 HD11 LEU A 48 -12.126 -9.689 -19.666 1.00 71.10 H new ATOM 0 HD12 LEU A 48 -13.322 -10.618 -20.601 1.00 71.10 H new ATOM 0 HD13 LEU A 48 -13.637 -10.225 -18.894 1.00 71.10 H new ATOM 0 HD21 LEU A 48 -10.768 -10.793 -17.930 1.00 33.44 H new ATOM 0 HD22 LEU A 48 -12.225 -11.373 -17.088 1.00 33.44 H new ATOM 0 HD23 LEU A 48 -10.970 -12.529 -17.596 1.00 33.44 H new ATOM 755 N GLY A 49 -15.397 -15.146 -20.176 1.00 70.53 N ATOM 756 CA GLY A 49 -15.670 -16.553 -20.406 1.00 64.21 C ATOM 757 C GLY A 49 -15.631 -17.368 -19.128 1.00 52.52 C ATOM 758 O GLY A 49 -15.630 -18.597 -19.169 1.00 63.50 O ATOM 0 H GLY A 49 -16.110 -14.653 -19.639 1.00 70.53 H new ATOM 0 HA2 GLY A 49 -16.650 -16.658 -20.871 1.00 64.21 H new ATOM 0 HA3 GLY A 49 -14.939 -16.951 -21.110 1.00 64.21 H new ATOM 762 N GLN A 50 -15.599 -16.680 -17.991 1.00 64.11 N ATOM 763 CA GLN A 50 -15.558 -17.349 -16.696 1.00 5.41 C ATOM 764 C GLN A 50 -16.574 -16.739 -15.736 1.00 43.40 C ATOM 765 O GLN A 50 -16.956 -15.578 -15.877 1.00 2.20 O ATOM 766 CB GLN A 50 -14.153 -17.258 -16.096 1.00 33.11 C ATOM 767 CG GLN A 50 -13.084 -17.922 -16.948 1.00 44.42 C ATOM 768 CD GLN A 50 -11.698 -17.801 -16.344 1.00 53.14 C ATOM 769 OE1 GLN A 50 -10.738 -17.452 -17.031 1.00 65.00 O ATOM 770 NE2 GLN A 50 -11.588 -18.089 -15.053 1.00 20.40 N ATOM 0 H GLN A 50 -15.601 -15.661 -17.940 1.00 64.11 H new ATOM 0 HA GLN A 50 -15.813 -18.398 -16.848 1.00 5.41 H new ATOM 0 HB2 GLN A 50 -13.894 -16.209 -15.956 1.00 33.11 H new ATOM 0 HB3 GLN A 50 -14.158 -17.720 -15.109 1.00 33.11 H new ATOM 0 HG2 GLN A 50 -13.330 -18.976 -17.076 1.00 44.42 H new ATOM 0 HG3 GLN A 50 -13.084 -17.472 -17.941 1.00 44.42 H new ATOM 0 HE21 GLN A 50 -12.411 -18.374 -14.522 1.00 20.40 H new ATOM 0 HE22 GLN A 50 -10.681 -18.025 -14.592 1.00 20.40 H new ATOM 779 N ASN A 51 -17.008 -17.530 -14.760 1.00 43.22 N ATOM 780 CA ASN A 51 -17.981 -17.068 -13.777 1.00 43.51 C ATOM 781 C ASN A 51 -17.613 -17.553 -12.378 1.00 52.02 C ATOM 782 O ASN A 51 -18.317 -18.359 -11.769 1.00 10.41 O ATOM 783 CB ASN A 51 -19.382 -17.557 -14.147 1.00 54.31 C ATOM 784 CG ASN A 51 -20.430 -17.126 -13.139 1.00 0.32 C ATOM 785 OD1 ASN A 51 -20.695 -15.935 -12.973 1.00 54.04 O ATOM 786 ND2 ASN A 51 -21.031 -18.095 -12.459 1.00 22.31 N ATOM 0 H ASN A 51 -16.701 -18.494 -14.629 1.00 43.22 H new ATOM 0 HA ASN A 51 -17.972 -15.978 -13.778 1.00 43.51 H new ATOM 0 HB2 ASN A 51 -19.649 -17.173 -15.132 1.00 54.31 H new ATOM 0 HB3 ASN A 51 -19.377 -18.645 -14.219 1.00 54.31 H new ATOM 0 HD21 ASN A 51 -21.744 -17.866 -11.766 1.00 22.31 H new ATOM 0 HD22 ASN A 51 -20.780 -19.069 -12.629 1.00 22.31 H new ATOM 793 N PRO A 52 -16.484 -17.052 -11.855 1.00 53.55 N ATOM 794 CA PRO A 52 -15.998 -17.419 -10.522 1.00 50.22 C ATOM 795 C PRO A 52 -16.878 -16.859 -9.410 1.00 2.03 C ATOM 796 O PRO A 52 -17.955 -16.320 -9.667 1.00 20.22 O ATOM 797 CB PRO A 52 -14.603 -16.791 -10.468 1.00 51.20 C ATOM 798 CG PRO A 52 -14.662 -15.654 -11.430 1.00 23.35 C ATOM 799 CD PRO A 52 -15.596 -16.087 -12.525 1.00 51.14 C ATOM 0 HA PRO A 52 -16.001 -18.498 -10.370 1.00 50.22 H new ATOM 0 HB2 PRO A 52 -14.363 -16.447 -9.462 1.00 51.20 H new ATOM 0 HB3 PRO A 52 -13.834 -17.510 -10.751 1.00 51.20 H new ATOM 0 HG2 PRO A 52 -15.025 -14.749 -10.943 1.00 23.35 H new ATOM 0 HG3 PRO A 52 -13.673 -15.427 -11.828 1.00 23.35 H new ATOM 0 HD2 PRO A 52 -16.154 -15.244 -12.934 1.00 51.14 H new ATOM 0 HD3 PRO A 52 -15.058 -16.545 -13.354 1.00 51.14 H new ATOM 807 N THR A 53 -16.412 -16.989 -8.171 1.00 75.21 N ATOM 808 CA THR A 53 -17.157 -16.497 -7.019 1.00 73.11 C ATOM 809 C THR A 53 -16.790 -15.052 -6.704 1.00 12.43 C ATOM 810 O THR A 53 -15.640 -14.635 -6.838 1.00 43.50 O ATOM 811 CB THR A 53 -16.900 -17.364 -5.772 1.00 54.00 C ATOM 812 OG1 THR A 53 -17.845 -17.039 -4.746 1.00 52.13 O ATOM 813 CG2 THR A 53 -15.487 -17.156 -5.250 1.00 65.25 C ATOM 0 H THR A 53 -15.522 -17.431 -7.940 1.00 75.21 H new ATOM 0 HA THR A 53 -18.214 -16.552 -7.279 1.00 73.11 H new ATOM 0 HB THR A 53 -17.016 -18.410 -6.054 1.00 54.00 H new ATOM 0 HG1 THR A 53 -17.676 -17.596 -3.957 1.00 52.13 H new ATOM 0 HG21 THR A 53 -15.329 -17.779 -4.369 1.00 65.25 H new ATOM 0 HG22 THR A 53 -14.769 -17.432 -6.023 1.00 65.25 H new ATOM 0 HG23 THR A 53 -15.348 -16.108 -4.983 1.00 65.25 H new ATOM 821 N PRO A 54 -17.789 -14.267 -6.273 1.00 53.02 N ATOM 822 CA PRO A 54 -17.595 -12.856 -5.928 1.00 41.42 C ATOM 823 C PRO A 54 -16.775 -12.678 -4.655 1.00 13.43 C ATOM 824 O PRO A 54 -15.994 -11.735 -4.536 1.00 41.41 O ATOM 825 CB PRO A 54 -19.022 -12.341 -5.722 1.00 62.02 C ATOM 826 CG PRO A 54 -19.809 -13.549 -5.347 1.00 13.55 C ATOM 827 CD PRO A 54 -19.185 -14.697 -6.090 1.00 35.45 C ATOM 0 HA PRO A 54 -17.042 -12.320 -6.699 1.00 41.42 H new ATOM 0 HB2 PRO A 54 -19.061 -11.584 -4.939 1.00 62.02 H new ATOM 0 HB3 PRO A 54 -19.412 -11.880 -6.630 1.00 62.02 H new ATOM 0 HG2 PRO A 54 -19.777 -13.717 -4.271 1.00 13.55 H new ATOM 0 HG3 PRO A 54 -20.858 -13.432 -5.620 1.00 13.55 H new ATOM 0 HD2 PRO A 54 -19.248 -15.625 -5.522 1.00 35.45 H new ATOM 0 HD3 PRO A 54 -19.679 -14.874 -7.045 1.00 35.45 H new ATOM 835 N GLU A 55 -16.959 -13.590 -3.706 1.00 33.14 N ATOM 836 CA GLU A 55 -16.236 -13.532 -2.441 1.00 32.13 C ATOM 837 C GLU A 55 -14.728 -13.532 -2.675 1.00 74.45 C ATOM 838 O GLU A 55 -13.979 -12.866 -1.962 1.00 52.02 O ATOM 839 CB GLU A 55 -16.625 -14.714 -1.551 1.00 31.43 C ATOM 840 CG GLU A 55 -18.096 -14.731 -1.170 1.00 21.54 C ATOM 841 CD GLU A 55 -18.559 -16.094 -0.691 1.00 42.04 C ATOM 842 OE1 GLU A 55 -18.675 -17.010 -1.532 1.00 34.35 O ATOM 843 OE2 GLU A 55 -18.804 -16.243 0.524 1.00 33.41 O ATOM 0 H GLU A 55 -17.602 -14.377 -3.789 1.00 33.14 H new ATOM 0 HA GLU A 55 -16.508 -12.603 -1.939 1.00 32.13 H new ATOM 0 HB2 GLU A 55 -16.381 -15.642 -2.068 1.00 31.43 H new ATOM 0 HB3 GLU A 55 -16.023 -14.687 -0.642 1.00 31.43 H new ATOM 0 HG2 GLU A 55 -18.273 -13.995 -0.386 1.00 21.54 H new ATOM 0 HG3 GLU A 55 -18.694 -14.430 -2.030 1.00 21.54 H new ATOM 850 N GLU A 56 -14.292 -14.286 -3.680 1.00 40.31 N ATOM 851 CA GLU A 56 -12.874 -14.374 -4.008 1.00 2.11 C ATOM 852 C GLU A 56 -12.360 -13.048 -4.560 1.00 45.51 C ATOM 853 O GLU A 56 -11.274 -12.591 -4.199 1.00 40.22 O ATOM 854 CB GLU A 56 -12.631 -15.491 -5.025 1.00 52.21 C ATOM 855 CG GLU A 56 -11.160 -15.760 -5.294 1.00 32.42 C ATOM 856 CD GLU A 56 -10.445 -16.345 -4.091 1.00 50.21 C ATOM 857 OE1 GLU A 56 -11.097 -17.059 -3.302 1.00 32.42 O ATOM 858 OE2 GLU A 56 -9.232 -16.087 -3.940 1.00 33.21 O ATOM 0 H GLU A 56 -14.900 -14.844 -4.280 1.00 40.31 H new ATOM 0 HA GLU A 56 -12.329 -14.602 -3.092 1.00 2.11 H new ATOM 0 HB2 GLU A 56 -13.099 -16.407 -4.665 1.00 52.21 H new ATOM 0 HB3 GLU A 56 -13.121 -15.230 -5.963 1.00 52.21 H new ATOM 0 HG2 GLU A 56 -11.068 -16.446 -6.136 1.00 32.42 H new ATOM 0 HG3 GLU A 56 -10.672 -14.830 -5.586 1.00 32.42 H new ATOM 865 N LEU A 57 -13.146 -12.434 -5.438 1.00 20.24 N ATOM 866 CA LEU A 57 -12.771 -11.160 -6.041 1.00 72.22 C ATOM 867 C LEU A 57 -12.371 -10.148 -4.973 1.00 24.14 C ATOM 868 O LEU A 57 -11.273 -9.593 -5.011 1.00 22.41 O ATOM 869 CB LEU A 57 -13.929 -10.608 -6.874 1.00 51.14 C ATOM 870 CG LEU A 57 -14.523 -11.560 -7.913 1.00 22.31 C ATOM 871 CD1 LEU A 57 -15.785 -10.968 -8.520 1.00 34.42 C ATOM 872 CD2 LEU A 57 -13.502 -11.870 -8.998 1.00 2.01 C ATOM 0 H LEU A 57 -14.047 -12.798 -5.748 1.00 20.24 H new ATOM 0 HA LEU A 57 -11.913 -11.332 -6.691 1.00 72.22 H new ATOM 0 HB2 LEU A 57 -14.725 -10.301 -6.195 1.00 51.14 H new ATOM 0 HB3 LEU A 57 -13.585 -9.710 -7.388 1.00 51.14 H new ATOM 0 HG LEU A 57 -14.787 -12.492 -7.414 1.00 22.31 H new ATOM 0 HD11 LEU A 57 -16.193 -11.660 -9.257 1.00 34.42 H new ATOM 0 HD12 LEU A 57 -16.521 -10.798 -7.735 1.00 34.42 H new ATOM 0 HD13 LEU A 57 -15.546 -10.021 -9.004 1.00 34.42 H new ATOM 0 HD21 LEU A 57 -13.942 -12.549 -9.729 1.00 2.01 H new ATOM 0 HD22 LEU A 57 -13.206 -10.946 -9.494 1.00 2.01 H new ATOM 0 HD23 LEU A 57 -12.626 -12.338 -8.550 1.00 2.01 H new ATOM 884 N GLN A 58 -13.267 -9.915 -4.020 1.00 35.12 N ATOM 885 CA GLN A 58 -13.006 -8.971 -2.940 1.00 31.02 C ATOM 886 C GLN A 58 -11.847 -9.446 -2.070 1.00 32.42 C ATOM 887 O GLN A 58 -11.176 -8.644 -1.422 1.00 11.11 O ATOM 888 CB GLN A 58 -14.259 -8.784 -2.083 1.00 34.11 C ATOM 889 CG GLN A 58 -14.002 -8.041 -0.782 1.00 23.31 C ATOM 890 CD GLN A 58 -13.515 -6.623 -1.006 1.00 64.40 C ATOM 891 OE1 GLN A 58 -14.200 -5.810 -1.626 1.00 12.21 O ATOM 892 NE2 GLN A 58 -12.325 -6.319 -0.501 1.00 64.23 N ATOM 0 H GLN A 58 -14.180 -10.367 -3.974 1.00 35.12 H new ATOM 0 HA GLN A 58 -12.734 -8.014 -3.386 1.00 31.02 H new ATOM 0 HB2 GLN A 58 -15.006 -8.240 -2.661 1.00 34.11 H new ATOM 0 HB3 GLN A 58 -14.682 -9.762 -1.855 1.00 34.11 H new ATOM 0 HG2 GLN A 58 -14.920 -8.017 -0.194 1.00 23.31 H new ATOM 0 HG3 GLN A 58 -13.262 -8.587 -0.196 1.00 23.31 H new ATOM 0 HE21 GLN A 58 -11.791 -7.025 0.006 1.00 64.23 H new ATOM 0 HE22 GLN A 58 -11.945 -5.380 -0.620 1.00 64.23 H new ATOM 901 N GLU A 59 -11.619 -10.756 -2.060 1.00 40.04 N ATOM 902 CA GLU A 59 -10.541 -11.337 -1.268 1.00 75.23 C ATOM 903 C GLU A 59 -9.189 -10.774 -1.694 1.00 65.42 C ATOM 904 O GLU A 59 -8.427 -10.270 -0.869 1.00 60.24 O ATOM 905 CB GLU A 59 -10.540 -12.861 -1.409 1.00 44.23 C ATOM 906 CG GLU A 59 -9.895 -13.580 -0.236 1.00 41.13 C ATOM 907 CD GLU A 59 -10.852 -13.781 0.922 1.00 12.35 C ATOM 908 OE1 GLU A 59 -12.001 -13.300 0.832 1.00 53.30 O ATOM 909 OE2 GLU A 59 -10.453 -14.418 1.919 1.00 2.02 O ATOM 0 H GLU A 59 -12.166 -11.434 -2.591 1.00 40.04 H new ATOM 0 HA GLU A 59 -10.710 -11.076 -0.223 1.00 75.23 H new ATOM 0 HB2 GLU A 59 -11.568 -13.208 -1.517 1.00 44.23 H new ATOM 0 HB3 GLU A 59 -10.014 -13.132 -2.324 1.00 44.23 H new ATOM 0 HG2 GLU A 59 -9.524 -14.550 -0.568 1.00 41.13 H new ATOM 0 HG3 GLU A 59 -9.032 -13.009 0.106 1.00 41.13 H new ATOM 916 N MET A 60 -8.897 -10.865 -2.988 1.00 30.54 N ATOM 917 CA MET A 60 -7.636 -10.365 -3.524 1.00 35.04 C ATOM 918 C MET A 60 -7.587 -8.842 -3.463 1.00 43.43 C ATOM 919 O MET A 60 -6.536 -8.256 -3.199 1.00 14.12 O ATOM 920 CB MET A 60 -7.448 -10.836 -4.967 1.00 33.42 C ATOM 921 CG MET A 60 -7.621 -12.336 -5.144 1.00 21.34 C ATOM 922 SD MET A 60 -6.465 -13.291 -4.142 1.00 33.23 S ATOM 923 CE MET A 60 -5.772 -14.388 -5.377 1.00 13.32 C ATOM 0 H MET A 60 -9.516 -11.280 -3.684 1.00 30.54 H new ATOM 0 HA MET A 60 -6.826 -10.762 -2.912 1.00 35.04 H new ATOM 0 HB2 MET A 60 -8.163 -10.318 -5.606 1.00 33.42 H new ATOM 0 HB3 MET A 60 -6.452 -10.551 -5.307 1.00 33.42 H new ATOM 0 HG2 MET A 60 -8.641 -12.614 -4.879 1.00 21.34 H new ATOM 0 HG3 MET A 60 -7.483 -12.592 -6.194 1.00 21.34 H new ATOM 0 HE1 MET A 60 -5.037 -15.044 -4.910 1.00 13.32 H new ATOM 0 HE2 MET A 60 -6.567 -14.990 -5.817 1.00 13.32 H new ATOM 0 HE3 MET A 60 -5.289 -13.799 -6.157 1.00 13.32 H new ATOM 933 N ILE A 61 -8.727 -8.207 -3.710 1.00 55.34 N ATOM 934 CA ILE A 61 -8.813 -6.752 -3.683 1.00 43.21 C ATOM 935 C ILE A 61 -8.511 -6.209 -2.290 1.00 60.52 C ATOM 936 O ILE A 61 -8.095 -5.061 -2.137 1.00 15.23 O ATOM 937 CB ILE A 61 -10.205 -6.261 -4.122 1.00 60.13 C ATOM 938 CG1 ILE A 61 -10.432 -6.564 -5.605 1.00 10.41 C ATOM 939 CG2 ILE A 61 -10.351 -4.771 -3.852 1.00 31.23 C ATOM 940 CD1 ILE A 61 -11.780 -6.106 -6.115 1.00 75.03 C ATOM 0 H ILE A 61 -9.605 -8.677 -3.931 1.00 55.34 H new ATOM 0 HA ILE A 61 -8.068 -6.380 -4.386 1.00 43.21 H new ATOM 0 HB ILE A 61 -10.961 -6.791 -3.542 1.00 60.13 H new ATOM 0 HG12 ILE A 61 -9.648 -6.083 -6.190 1.00 10.41 H new ATOM 0 HG13 ILE A 61 -10.337 -7.638 -5.767 1.00 10.41 H new ATOM 0 HG21 ILE A 61 -11.340 -4.439 -4.168 1.00 31.23 H new ATOM 0 HG22 ILE A 61 -10.228 -4.581 -2.786 1.00 31.23 H new ATOM 0 HG23 ILE A 61 -9.590 -4.224 -4.409 1.00 31.23 H new ATOM 0 HD11 ILE A 61 -11.872 -6.353 -7.173 1.00 75.03 H new ATOM 0 HD12 ILE A 61 -12.570 -6.607 -5.555 1.00 75.03 H new ATOM 0 HD13 ILE A 61 -11.871 -5.028 -5.985 1.00 75.03 H new ATOM 952 N ASP A 62 -8.721 -7.044 -1.278 1.00 52.03 N ATOM 953 CA ASP A 62 -8.469 -6.650 0.103 1.00 41.31 C ATOM 954 C ASP A 62 -6.979 -6.423 0.340 1.00 71.11 C ATOM 955 O ASP A 62 -6.577 -5.391 0.876 1.00 64.12 O ATOM 956 CB ASP A 62 -8.994 -7.717 1.064 1.00 14.24 C ATOM 957 CG ASP A 62 -8.738 -7.364 2.516 1.00 33.45 C ATOM 958 OD1 ASP A 62 -9.564 -6.636 3.105 1.00 15.32 O ATOM 959 OD2 ASP A 62 -7.712 -7.818 3.065 1.00 51.15 O ATOM 0 H ASP A 62 -9.065 -7.998 -1.388 1.00 52.03 H new ATOM 0 HA ASP A 62 -8.995 -5.714 0.290 1.00 41.31 H new ATOM 0 HB2 ASP A 62 -10.065 -7.847 0.908 1.00 14.24 H new ATOM 0 HB3 ASP A 62 -8.520 -8.672 0.836 1.00 14.24 H new ATOM 964 N GLU A 63 -6.166 -7.395 -0.062 1.00 74.23 N ATOM 965 CA GLU A 63 -4.721 -7.301 0.109 1.00 73.54 C ATOM 966 C GLU A 63 -4.126 -6.274 -0.850 1.00 25.32 C ATOM 967 O GLU A 63 -3.055 -5.721 -0.598 1.00 23.50 O ATOM 968 CB GLU A 63 -4.069 -8.667 -0.119 1.00 42.45 C ATOM 969 CG GLU A 63 -2.564 -8.597 -0.316 1.00 42.44 C ATOM 970 CD GLU A 63 -1.844 -8.018 0.887 1.00 73.43 C ATOM 971 OE1 GLU A 63 -2.245 -8.336 2.026 1.00 15.11 O ATOM 972 OE2 GLU A 63 -0.881 -7.249 0.689 1.00 0.13 O ATOM 0 H GLU A 63 -6.483 -8.256 -0.508 1.00 74.23 H new ATOM 0 HA GLU A 63 -4.521 -6.977 1.130 1.00 73.54 H new ATOM 0 HB2 GLU A 63 -4.286 -9.311 0.733 1.00 42.45 H new ATOM 0 HB3 GLU A 63 -4.520 -9.134 -0.994 1.00 42.45 H new ATOM 0 HG2 GLU A 63 -2.181 -9.597 -0.517 1.00 42.44 H new ATOM 0 HG3 GLU A 63 -2.344 -7.989 -1.194 1.00 42.44 H new ATOM 979 N VAL A 64 -4.827 -6.024 -1.951 1.00 32.13 N ATOM 980 CA VAL A 64 -4.369 -5.063 -2.947 1.00 73.43 C ATOM 981 C VAL A 64 -4.707 -3.636 -2.531 1.00 23.34 C ATOM 982 O VAL A 64 -3.880 -2.732 -2.650 1.00 51.25 O ATOM 983 CB VAL A 64 -4.994 -5.345 -4.327 1.00 2.12 C ATOM 984 CG1 VAL A 64 -4.530 -4.313 -5.344 1.00 21.32 C ATOM 985 CG2 VAL A 64 -4.651 -6.753 -4.789 1.00 63.01 C ATOM 0 H VAL A 64 -5.714 -6.474 -2.176 1.00 32.13 H new ATOM 0 HA VAL A 64 -3.287 -5.171 -3.017 1.00 73.43 H new ATOM 0 HB VAL A 64 -6.078 -5.270 -4.238 1.00 2.12 H new ATOM 0 HG11 VAL A 64 -4.981 -4.528 -6.313 1.00 21.32 H new ATOM 0 HG12 VAL A 64 -4.831 -3.318 -5.016 1.00 21.32 H new ATOM 0 HG13 VAL A 64 -3.444 -4.352 -5.433 1.00 21.32 H new ATOM 0 HG21 VAL A 64 -5.100 -6.935 -5.765 1.00 63.01 H new ATOM 0 HG22 VAL A 64 -3.569 -6.858 -4.862 1.00 63.01 H new ATOM 0 HG23 VAL A 64 -5.038 -7.476 -4.071 1.00 63.01 H new ATOM 995 N ASP A 65 -5.926 -3.442 -2.040 1.00 42.32 N ATOM 996 CA ASP A 65 -6.373 -2.124 -1.603 1.00 70.25 C ATOM 997 C ASP A 65 -5.618 -1.680 -0.355 1.00 23.33 C ATOM 998 O ASP A 65 -5.924 -2.116 0.755 1.00 54.44 O ATOM 999 CB ASP A 65 -7.877 -2.138 -1.327 1.00 32.52 C ATOM 1000 CG ASP A 65 -8.497 -0.758 -1.423 1.00 62.24 C ATOM 1001 OD1 ASP A 65 -7.756 0.237 -1.276 1.00 31.34 O ATOM 1002 OD2 ASP A 65 -9.722 -0.673 -1.648 1.00 11.34 O ATOM 0 H ASP A 65 -6.622 -4.180 -1.935 1.00 42.32 H new ATOM 0 HA ASP A 65 -6.165 -1.413 -2.403 1.00 70.25 H new ATOM 0 HB2 ASP A 65 -8.367 -2.803 -2.037 1.00 32.52 H new ATOM 0 HB3 ASP A 65 -8.057 -2.545 -0.332 1.00 32.52 H new ATOM 1007 N GLU A 66 -4.629 -0.812 -0.544 1.00 63.55 N ATOM 1008 CA GLU A 66 -3.829 -0.312 0.567 1.00 3.12 C ATOM 1009 C GLU A 66 -4.695 0.463 1.556 1.00 54.14 C ATOM 1010 O GLU A 66 -4.401 0.512 2.750 1.00 33.21 O ATOM 1011 CB GLU A 66 -2.701 0.583 0.050 1.00 4.32 C ATOM 1012 CG GLU A 66 -1.764 -0.117 -0.920 1.00 53.23 C ATOM 1013 CD GLU A 66 -0.987 0.856 -1.786 1.00 11.14 C ATOM 1014 OE1 GLU A 66 -1.321 2.059 -1.772 1.00 15.45 O ATOM 1015 OE2 GLU A 66 -0.045 0.415 -2.477 1.00 33.14 O ATOM 0 H GLU A 66 -4.363 -0.441 -1.456 1.00 63.55 H new ATOM 0 HA GLU A 66 -3.396 -1.169 1.083 1.00 3.12 H new ATOM 0 HB2 GLU A 66 -3.136 1.453 -0.442 1.00 4.32 H new ATOM 0 HB3 GLU A 66 -2.123 0.951 0.898 1.00 4.32 H new ATOM 0 HG2 GLU A 66 -1.064 -0.737 -0.360 1.00 53.23 H new ATOM 0 HG3 GLU A 66 -2.341 -0.785 -1.559 1.00 53.23 H new ATOM 1022 N ASP A 67 -5.764 1.068 1.048 1.00 30.35 N ATOM 1023 CA ASP A 67 -6.675 1.840 1.886 1.00 44.45 C ATOM 1024 C ASP A 67 -7.890 1.007 2.280 1.00 24.41 C ATOM 1025 O ASP A 67 -8.702 1.426 3.104 1.00 62.34 O ATOM 1026 CB ASP A 67 -7.125 3.106 1.154 1.00 64.34 C ATOM 1027 CG ASP A 67 -7.471 2.842 -0.299 1.00 13.24 C ATOM 1028 OD1 ASP A 67 -6.541 2.601 -1.096 1.00 31.33 O ATOM 1029 OD2 ASP A 67 -8.673 2.878 -0.638 1.00 42.31 O ATOM 0 H ASP A 67 -6.021 1.039 0.061 1.00 30.35 H new ATOM 0 HA ASP A 67 -6.142 2.123 2.794 1.00 44.45 H new ATOM 0 HB2 ASP A 67 -7.994 3.526 1.661 1.00 64.34 H new ATOM 0 HB3 ASP A 67 -6.333 3.853 1.206 1.00 64.34 H new ATOM 1034 N GLY A 68 -8.008 -0.177 1.685 1.00 1.40 N ATOM 1035 CA GLY A 68 -9.127 -1.050 1.986 1.00 11.12 C ATOM 1036 C GLY A 68 -10.465 -0.365 1.793 1.00 14.43 C ATOM 1037 O GLY A 68 -11.394 -0.571 2.574 1.00 13.12 O ATOM 0 H GLY A 68 -7.348 -0.546 1.000 1.00 1.40 H new ATOM 0 HA2 GLY A 68 -9.078 -1.932 1.347 1.00 11.12 H new ATOM 0 HA3 GLY A 68 -9.046 -1.398 3.016 1.00 11.12 H new ATOM 1041 N SER A 69 -10.564 0.454 0.751 1.00 13.52 N ATOM 1042 CA SER A 69 -11.797 1.177 0.461 1.00 13.02 C ATOM 1043 C SER A 69 -12.827 0.256 -0.186 1.00 13.12 C ATOM 1044 O SER A 69 -14.031 0.496 -0.102 1.00 1.31 O ATOM 1045 CB SER A 69 -11.512 2.367 -0.457 1.00 71.11 C ATOM 1046 OG SER A 69 -10.884 1.947 -1.656 1.00 21.11 O ATOM 0 H SER A 69 -9.805 0.634 0.093 1.00 13.52 H new ATOM 0 HA SER A 69 -12.204 1.544 1.403 1.00 13.02 H new ATOM 0 HB2 SER A 69 -12.444 2.881 -0.692 1.00 71.11 H new ATOM 0 HB3 SER A 69 -10.874 3.084 0.059 1.00 71.11 H new ATOM 0 HG SER A 69 -9.924 2.136 -1.606 1.00 21.11 H new ATOM 1052 N GLY A 70 -12.344 -0.801 -0.832 1.00 40.54 N ATOM 1053 CA GLY A 70 -13.235 -1.742 -1.485 1.00 23.10 C ATOM 1054 C GLY A 70 -13.258 -1.570 -2.991 1.00 22.22 C ATOM 1055 O GLY A 70 -14.190 -2.016 -3.661 1.00 13.14 O ATOM 0 H GLY A 70 -11.352 -1.022 -0.915 1.00 40.54 H new ATOM 0 HA2 GLY A 70 -12.925 -2.759 -1.243 1.00 23.10 H new ATOM 0 HA3 GLY A 70 -14.244 -1.615 -1.092 1.00 23.10 H new ATOM 1059 N THR A 71 -12.229 -0.920 -3.527 1.00 33.13 N ATOM 1060 CA THR A 71 -12.136 -0.688 -4.962 1.00 53.54 C ATOM 1061 C THR A 71 -10.683 -0.568 -5.407 1.00 71.20 C ATOM 1062 O THR A 71 -9.821 -0.140 -4.639 1.00 34.31 O ATOM 1063 CB THR A 71 -12.894 0.589 -5.375 1.00 70.50 C ATOM 1064 OG1 THR A 71 -13.081 1.437 -4.237 1.00 30.02 O ATOM 1065 CG2 THR A 71 -14.245 0.243 -5.984 1.00 23.14 C ATOM 0 H THR A 71 -11.449 -0.545 -2.988 1.00 33.13 H new ATOM 0 HA THR A 71 -12.593 -1.548 -5.451 1.00 53.54 H new ATOM 0 HB THR A 71 -12.299 1.112 -6.124 1.00 70.50 H new ATOM 0 HG1 THR A 71 -13.562 2.247 -4.508 1.00 30.02 H new ATOM 0 HG21 THR A 71 -14.762 1.160 -6.268 1.00 23.14 H new ATOM 0 HG22 THR A 71 -14.098 -0.379 -6.867 1.00 23.14 H new ATOM 0 HG23 THR A 71 -14.845 -0.300 -5.254 1.00 23.14 H new ATOM 1073 N VAL A 72 -10.417 -0.948 -6.653 1.00 30.54 N ATOM 1074 CA VAL A 72 -9.067 -0.882 -7.200 1.00 75.34 C ATOM 1075 C VAL A 72 -8.909 0.318 -8.126 1.00 44.35 C ATOM 1076 O VAL A 72 -9.698 0.510 -9.052 1.00 2.43 O ATOM 1077 CB VAL A 72 -8.713 -2.165 -7.976 1.00 22.15 C ATOM 1078 CG1 VAL A 72 -7.584 -1.900 -8.960 1.00 52.51 C ATOM 1079 CG2 VAL A 72 -8.340 -3.283 -7.013 1.00 42.42 C ATOM 0 H VAL A 72 -11.118 -1.305 -7.302 1.00 30.54 H new ATOM 0 HA VAL A 72 -8.387 -0.778 -6.355 1.00 75.34 H new ATOM 0 HB VAL A 72 -9.589 -2.480 -8.542 1.00 22.15 H new ATOM 0 HG11 VAL A 72 -7.348 -2.818 -9.499 1.00 52.51 H new ATOM 0 HG12 VAL A 72 -7.892 -1.132 -9.669 1.00 52.51 H new ATOM 0 HG13 VAL A 72 -6.701 -1.560 -8.418 1.00 52.51 H new ATOM 0 HG21 VAL A 72 -8.093 -4.182 -7.577 1.00 42.42 H new ATOM 0 HG22 VAL A 72 -7.478 -2.979 -6.419 1.00 42.42 H new ATOM 0 HG23 VAL A 72 -9.182 -3.490 -6.352 1.00 42.42 H new ATOM 1089 N ASP A 73 -7.883 1.123 -7.872 1.00 0.24 N ATOM 1090 CA ASP A 73 -7.619 2.305 -8.684 1.00 3.44 C ATOM 1091 C ASP A 73 -6.544 2.018 -9.728 1.00 15.30 C ATOM 1092 O ASP A 73 -6.076 0.887 -9.857 1.00 51.12 O ATOM 1093 CB ASP A 73 -7.186 3.473 -7.796 1.00 44.41 C ATOM 1094 CG ASP A 73 -8.336 4.047 -6.992 1.00 24.23 C ATOM 1095 OD1 ASP A 73 -8.758 3.395 -6.014 1.00 52.11 O ATOM 1096 OD2 ASP A 73 -8.814 5.147 -7.340 1.00 63.23 O ATOM 0 H ASP A 73 -7.220 0.978 -7.110 1.00 0.24 H new ATOM 0 HA ASP A 73 -8.540 2.574 -9.201 1.00 3.44 H new ATOM 0 HB2 ASP A 73 -6.403 3.138 -7.116 1.00 44.41 H new ATOM 0 HB3 ASP A 73 -6.754 4.257 -8.418 1.00 44.41 H new ATOM 1101 N PHE A 74 -6.159 3.050 -10.472 1.00 72.20 N ATOM 1102 CA PHE A 74 -5.142 2.908 -11.507 1.00 3.11 C ATOM 1103 C PHE A 74 -3.836 2.382 -10.918 1.00 12.03 C ATOM 1104 O PHE A 74 -3.122 1.609 -11.556 1.00 25.00 O ATOM 1105 CB PHE A 74 -4.897 4.251 -12.199 1.00 75.31 C ATOM 1106 CG PHE A 74 -3.826 4.197 -13.250 1.00 3.21 C ATOM 1107 CD1 PHE A 74 -3.638 3.054 -14.010 1.00 33.45 C ATOM 1108 CD2 PHE A 74 -3.006 5.291 -13.479 1.00 21.55 C ATOM 1109 CE1 PHE A 74 -2.652 3.002 -14.976 1.00 72.45 C ATOM 1110 CE2 PHE A 74 -2.018 5.245 -14.445 1.00 33.45 C ATOM 1111 CZ PHE A 74 -1.842 4.099 -15.195 1.00 71.22 C ATOM 0 H PHE A 74 -6.536 3.993 -10.377 1.00 72.20 H new ATOM 0 HA PHE A 74 -5.505 2.189 -12.241 1.00 3.11 H new ATOM 0 HB2 PHE A 74 -5.827 4.590 -12.656 1.00 75.31 H new ATOM 0 HB3 PHE A 74 -4.622 4.992 -11.449 1.00 75.31 H new ATOM 0 HD1 PHE A 74 -4.270 2.194 -13.845 1.00 33.45 H new ATOM 0 HD2 PHE A 74 -3.141 6.190 -12.896 1.00 21.55 H new ATOM 0 HE1 PHE A 74 -2.515 2.104 -15.560 1.00 72.45 H new ATOM 0 HE2 PHE A 74 -1.385 6.104 -14.613 1.00 33.45 H new ATOM 0 HZ PHE A 74 -1.072 4.061 -15.952 1.00 71.22 H new ATOM 1121 N ASP A 75 -3.532 2.807 -9.697 1.00 3.34 N ATOM 1122 CA ASP A 75 -2.313 2.379 -9.020 1.00 1.53 C ATOM 1123 C ASP A 75 -2.408 0.915 -8.604 1.00 24.20 C ATOM 1124 O ASP A 75 -1.604 0.086 -9.030 1.00 40.11 O ATOM 1125 CB ASP A 75 -2.051 3.255 -7.793 1.00 72.21 C ATOM 1126 CG ASP A 75 -1.352 4.553 -8.146 1.00 62.45 C ATOM 1127 OD1 ASP A 75 -1.922 5.338 -8.932 1.00 44.30 O ATOM 1128 OD2 ASP A 75 -0.234 4.782 -7.638 1.00 52.32 O ATOM 0 H ASP A 75 -4.113 3.447 -9.156 1.00 3.34 H new ATOM 0 HA ASP A 75 -1.482 2.487 -9.718 1.00 1.53 H new ATOM 0 HB2 ASP A 75 -2.998 3.478 -7.301 1.00 72.21 H new ATOM 0 HB3 ASP A 75 -1.443 2.701 -7.078 1.00 72.21 H new ATOM 1133 N GLU A 76 -3.394 0.604 -7.769 1.00 13.52 N ATOM 1134 CA GLU A 76 -3.592 -0.760 -7.294 1.00 62.14 C ATOM 1135 C GLU A 76 -3.790 -1.720 -8.464 1.00 52.44 C ATOM 1136 O GLU A 76 -3.390 -2.882 -8.402 1.00 34.12 O ATOM 1137 CB GLU A 76 -4.798 -0.828 -6.355 1.00 42.41 C ATOM 1138 CG GLU A 76 -4.549 -0.191 -4.998 1.00 23.40 C ATOM 1139 CD GLU A 76 -5.818 0.341 -4.362 1.00 2.44 C ATOM 1140 OE1 GLU A 76 -6.908 -0.172 -4.690 1.00 25.33 O ATOM 1141 OE2 GLU A 76 -5.720 1.272 -3.535 1.00 14.42 O ATOM 0 H GLU A 76 -4.068 1.278 -7.407 1.00 13.52 H new ATOM 0 HA GLU A 76 -2.698 -1.060 -6.747 1.00 62.14 H new ATOM 0 HB2 GLU A 76 -5.646 -0.333 -6.829 1.00 42.41 H new ATOM 0 HB3 GLU A 76 -5.078 -1.872 -6.211 1.00 42.41 H new ATOM 0 HG2 GLU A 76 -4.095 -0.926 -4.334 1.00 23.40 H new ATOM 0 HG3 GLU A 76 -3.833 0.624 -5.109 1.00 23.40 H new ATOM 1148 N TRP A 77 -4.410 -1.224 -9.529 1.00 72.01 N ATOM 1149 CA TRP A 77 -4.663 -2.037 -10.713 1.00 44.05 C ATOM 1150 C TRP A 77 -3.360 -2.370 -11.433 1.00 32.23 C ATOM 1151 O TRP A 77 -3.192 -3.473 -11.955 1.00 33.11 O ATOM 1152 CB TRP A 77 -5.613 -1.308 -11.665 1.00 2.23 C ATOM 1153 CG TRP A 77 -5.999 -2.125 -12.861 1.00 2.34 C ATOM 1154 CD1 TRP A 77 -7.173 -2.796 -13.050 1.00 62.12 C ATOM 1155 CD2 TRP A 77 -5.208 -2.358 -14.031 1.00 5.42 C ATOM 1156 NE1 TRP A 77 -7.159 -3.432 -14.268 1.00 71.30 N ATOM 1157 CE2 TRP A 77 -5.965 -3.178 -14.889 1.00 70.33 C ATOM 1158 CE3 TRP A 77 -3.934 -1.951 -14.438 1.00 71.31 C ATOM 1159 CZ2 TRP A 77 -5.489 -3.599 -16.128 1.00 23.40 C ATOM 1160 CZ3 TRP A 77 -3.463 -2.370 -15.668 1.00 24.34 C ATOM 1161 CH2 TRP A 77 -4.239 -3.187 -16.501 1.00 45.42 C ATOM 0 H TRP A 77 -4.747 -0.264 -9.597 1.00 72.01 H new ATOM 0 HA TRP A 77 -5.128 -2.969 -10.390 1.00 44.05 H new ATOM 0 HB2 TRP A 77 -6.514 -1.025 -11.121 1.00 2.23 H new ATOM 0 HB3 TRP A 77 -5.141 -0.385 -12.002 1.00 2.23 H new ATOM 0 HD1 TRP A 77 -7.992 -2.823 -12.346 1.00 62.12 H new ATOM 0 HE1 TRP A 77 -7.915 -4.001 -14.648 1.00 71.30 H new ATOM 0 HE3 TRP A 77 -3.329 -1.321 -13.803 1.00 71.31 H new ATOM 0 HZ2 TRP A 77 -6.086 -4.228 -16.772 1.00 23.40 H new ATOM 0 HZ3 TRP A 77 -2.480 -2.062 -15.993 1.00 24.34 H new ATOM 0 HH2 TRP A 77 -3.842 -3.498 -17.456 1.00 45.42 H new ATOM 1172 N LEU A 78 -2.441 -1.412 -11.457 1.00 3.33 N ATOM 1173 CA LEU A 78 -1.152 -1.604 -12.112 1.00 62.13 C ATOM 1174 C LEU A 78 -0.277 -2.571 -11.321 1.00 33.40 C ATOM 1175 O LEU A 78 0.255 -3.536 -11.871 1.00 11.31 O ATOM 1176 CB LEU A 78 -0.433 -0.263 -12.272 1.00 34.10 C ATOM 1177 CG LEU A 78 -0.769 0.532 -13.534 1.00 61.03 C ATOM 1178 CD1 LEU A 78 -0.033 1.863 -13.538 1.00 60.23 C ATOM 1179 CD2 LEU A 78 -0.425 -0.273 -14.779 1.00 32.31 C ATOM 0 H LEU A 78 -2.564 -0.494 -11.030 1.00 3.33 H new ATOM 0 HA LEU A 78 -1.335 -2.031 -13.098 1.00 62.13 H new ATOM 0 HB2 LEU A 78 -0.663 0.356 -11.405 1.00 34.10 H new ATOM 0 HB3 LEU A 78 0.642 -0.445 -12.257 1.00 34.10 H new ATOM 0 HG LEU A 78 -1.840 0.732 -13.540 1.00 61.03 H new ATOM 0 HD11 LEU A 78 -0.284 2.415 -14.444 1.00 60.23 H new ATOM 0 HD12 LEU A 78 -0.328 2.445 -12.665 1.00 60.23 H new ATOM 0 HD13 LEU A 78 1.042 1.684 -13.508 1.00 60.23 H new ATOM 0 HD21 LEU A 78 -0.671 0.308 -15.668 1.00 32.31 H new ATOM 0 HD22 LEU A 78 0.640 -0.504 -14.780 1.00 32.31 H new ATOM 0 HD23 LEU A 78 -0.998 -1.200 -14.782 1.00 32.31 H new ATOM 1191 N VAL A 79 -0.135 -2.308 -10.026 1.00 22.12 N ATOM 1192 CA VAL A 79 0.672 -3.157 -9.157 1.00 42.15 C ATOM 1193 C VAL A 79 0.113 -4.574 -9.100 1.00 70.02 C ATOM 1194 O VAL A 79 0.850 -5.534 -8.880 1.00 20.44 O ATOM 1195 CB VAL A 79 0.747 -2.588 -7.728 1.00 54.01 C ATOM 1196 CG1 VAL A 79 1.320 -1.179 -7.743 1.00 71.21 C ATOM 1197 CG2 VAL A 79 -0.628 -2.606 -7.076 1.00 25.33 C ATOM 0 H VAL A 79 -0.568 -1.514 -9.555 1.00 22.12 H new ATOM 0 HA VAL A 79 1.675 -3.182 -9.582 1.00 42.15 H new ATOM 0 HB VAL A 79 1.413 -3.218 -7.139 1.00 54.01 H new ATOM 0 HG11 VAL A 79 1.365 -0.794 -6.724 1.00 71.21 H new ATOM 0 HG12 VAL A 79 2.323 -1.199 -8.168 1.00 71.21 H new ATOM 0 HG13 VAL A 79 0.683 -0.533 -8.347 1.00 71.21 H new ATOM 0 HG21 VAL A 79 -0.557 -2.201 -6.067 1.00 25.33 H new ATOM 0 HG22 VAL A 79 -1.317 -1.999 -7.663 1.00 25.33 H new ATOM 0 HG23 VAL A 79 -0.996 -3.631 -7.030 1.00 25.33 H new ATOM 1207 N MET A 80 -1.195 -4.697 -9.301 1.00 11.40 N ATOM 1208 CA MET A 80 -1.853 -5.998 -9.274 1.00 54.41 C ATOM 1209 C MET A 80 -1.168 -6.973 -10.225 1.00 62.51 C ATOM 1210 O MET A 80 -0.947 -8.135 -9.884 1.00 4.13 O ATOM 1211 CB MET A 80 -3.330 -5.854 -9.649 1.00 4.11 C ATOM 1212 CG MET A 80 -4.037 -7.184 -9.854 1.00 43.21 C ATOM 1213 SD MET A 80 -5.809 -6.993 -10.129 1.00 24.24 S ATOM 1214 CE MET A 80 -5.822 -5.709 -11.377 1.00 44.01 C ATOM 0 H MET A 80 -1.820 -3.912 -9.484 1.00 11.40 H new ATOM 0 HA MET A 80 -1.779 -6.394 -8.261 1.00 54.41 H new ATOM 0 HB2 MET A 80 -3.843 -5.296 -8.865 1.00 4.11 H new ATOM 0 HB3 MET A 80 -3.409 -5.265 -10.563 1.00 4.11 H new ATOM 0 HG2 MET A 80 -3.594 -7.699 -10.707 1.00 43.21 H new ATOM 0 HG3 MET A 80 -3.875 -7.816 -8.981 1.00 43.21 H new ATOM 0 HE1 MET A 80 -6.666 -5.864 -12.050 1.00 44.01 H new ATOM 0 HE2 MET A 80 -5.915 -4.735 -10.896 1.00 44.01 H new ATOM 0 HE3 MET A 80 -4.893 -5.745 -11.946 1.00 44.01 H new ATOM 1224 N MET A 81 -0.835 -6.494 -11.419 1.00 4.01 N ATOM 1225 CA MET A 81 -0.173 -7.325 -12.418 1.00 74.04 C ATOM 1226 C MET A 81 1.236 -7.697 -11.970 1.00 22.34 C ATOM 1227 O MET A 81 1.664 -8.841 -12.122 1.00 21.03 O ATOM 1228 CB MET A 81 -0.117 -6.596 -13.762 1.00 74.34 C ATOM 1229 CG MET A 81 -0.260 -7.520 -14.961 1.00 31.30 C ATOM 1230 SD MET A 81 -1.963 -8.047 -15.233 1.00 40.34 S ATOM 1231 CE MET A 81 -2.762 -6.471 -15.526 1.00 42.43 C ATOM 0 H MET A 81 -1.013 -5.535 -11.718 1.00 4.01 H new ATOM 0 HA MET A 81 -0.752 -8.241 -12.533 1.00 74.04 H new ATOM 0 HB2 MET A 81 -0.909 -5.848 -13.794 1.00 74.34 H new ATOM 0 HB3 MET A 81 0.830 -6.061 -13.837 1.00 74.34 H new ATOM 0 HG2 MET A 81 0.105 -7.011 -15.853 1.00 31.30 H new ATOM 0 HG3 MET A 81 0.369 -8.398 -14.815 1.00 31.30 H new ATOM 0 HE1 MET A 81 -3.489 -6.279 -14.736 1.00 42.43 H new ATOM 0 HE2 MET A 81 -2.013 -5.679 -15.531 1.00 42.43 H new ATOM 0 HE3 MET A 81 -3.271 -6.495 -16.490 1.00 42.43 H new ATOM 1241 N ALA A 82 1.953 -6.724 -11.417 1.00 33.25 N ATOM 1242 CA ALA A 82 3.313 -6.951 -10.944 1.00 50.14 C ATOM 1243 C ALA A 82 3.355 -8.066 -9.905 1.00 14.32 C ATOM 1244 O ALA A 82 4.378 -8.727 -9.731 1.00 23.12 O ATOM 1245 CB ALA A 82 3.892 -5.667 -10.368 1.00 64.42 C ATOM 0 H ALA A 82 1.614 -5.771 -11.286 1.00 33.25 H new ATOM 0 HA ALA A 82 3.920 -7.261 -11.795 1.00 50.14 H new ATOM 0 HB1 ALA A 82 4.908 -5.851 -10.018 1.00 64.42 H new ATOM 0 HB2 ALA A 82 3.907 -4.897 -11.139 1.00 64.42 H new ATOM 0 HB3 ALA A 82 3.276 -5.333 -9.533 1.00 64.42 H new ATOM 1251 N ARG A 83 2.236 -8.268 -9.216 1.00 23.21 N ATOM 1252 CA ARG A 83 2.146 -9.302 -8.192 1.00 23.11 C ATOM 1253 C ARG A 83 2.341 -10.688 -8.800 1.00 52.00 C ATOM 1254 O ARG A 83 2.747 -11.627 -8.114 1.00 14.55 O ATOM 1255 CB ARG A 83 0.793 -9.230 -7.482 1.00 22.20 C ATOM 1256 CG ARG A 83 0.746 -10.015 -6.181 1.00 55.21 C ATOM 1257 CD ARG A 83 -0.388 -9.540 -5.285 1.00 45.51 C ATOM 1258 NE ARG A 83 -1.540 -10.435 -5.338 1.00 23.40 N ATOM 1259 CZ ARG A 83 -2.507 -10.443 -4.427 1.00 61.34 C ATOM 1260 NH1 ARG A 83 -2.461 -9.607 -3.399 1.00 62.52 N ATOM 1261 NH2 ARG A 83 -3.523 -11.288 -4.545 1.00 32.34 N ATOM 0 H ARG A 83 1.380 -7.730 -9.348 1.00 23.21 H new ATOM 0 HA ARG A 83 2.940 -9.128 -7.465 1.00 23.11 H new ATOM 0 HB2 ARG A 83 0.555 -8.186 -7.276 1.00 22.20 H new ATOM 0 HB3 ARG A 83 0.020 -9.606 -8.152 1.00 22.20 H new ATOM 0 HG2 ARG A 83 0.619 -11.075 -6.399 1.00 55.21 H new ATOM 0 HG3 ARG A 83 1.695 -9.909 -5.656 1.00 55.21 H new ATOM 0 HD2 ARG A 83 -0.032 -9.468 -4.257 1.00 45.51 H new ATOM 0 HD3 ARG A 83 -0.693 -8.538 -5.587 1.00 45.51 H new ATOM 0 HE ARG A 83 -1.606 -11.090 -6.117 1.00 23.40 H new ATOM 0 HH11 ARG A 83 -1.682 -8.955 -3.306 1.00 62.52 H new ATOM 0 HH12 ARG A 83 -3.205 -9.615 -2.701 1.00 62.52 H new ATOM 0 HH21 ARG A 83 -3.562 -11.932 -5.335 1.00 32.34 H new ATOM 0 HH22 ARG A 83 -4.265 -11.294 -3.845 1.00 32.34 H new ATOM 1275 N CYS A 84 2.048 -10.808 -10.090 1.00 62.41 N ATOM 1276 CA CYS A 84 2.189 -12.080 -10.791 1.00 25.03 C ATOM 1277 C CYS A 84 3.660 -12.453 -10.950 1.00 12.15 C ATOM 1278 O CYS A 84 3.990 -13.600 -11.250 1.00 5.43 O ATOM 1279 CB CYS A 84 1.518 -12.007 -12.163 1.00 20.42 C ATOM 1280 SG CYS A 84 1.296 -13.614 -12.962 1.00 34.12 S ATOM 0 H CYS A 84 1.712 -10.041 -10.672 1.00 62.41 H new ATOM 0 HA CYS A 84 1.700 -12.851 -10.196 1.00 25.03 H new ATOM 0 HB2 CYS A 84 0.544 -11.530 -12.054 1.00 20.42 H new ATOM 0 HB3 CYS A 84 2.115 -11.369 -12.814 1.00 20.42 H new ATOM 0 HG CYS A 84 2.290 -14.393 -12.654 1.00 34.12 H new ATOM 1286 N MET A 85 4.538 -11.476 -10.748 1.00 12.24 N ATOM 1287 CA MET A 85 5.973 -11.702 -10.869 1.00 4.20 C ATOM 1288 C MET A 85 6.522 -12.393 -9.625 1.00 0.02 C ATOM 1289 O MET A 85 7.152 -13.447 -9.714 1.00 71.12 O ATOM 1290 CB MET A 85 6.703 -10.376 -11.094 1.00 12.14 C ATOM 1291 CG MET A 85 6.418 -9.747 -12.448 1.00 34.22 C ATOM 1292 SD MET A 85 7.547 -10.320 -13.731 1.00 41.22 S ATOM 1293 CE MET A 85 9.100 -9.655 -13.137 1.00 3.23 C ATOM 0 H MET A 85 4.281 -10.521 -10.500 1.00 12.24 H new ATOM 0 HA MET A 85 6.141 -12.352 -11.728 1.00 4.20 H new ATOM 0 HB2 MET A 85 6.416 -9.675 -10.310 1.00 12.14 H new ATOM 0 HB3 MET A 85 7.776 -10.541 -10.998 1.00 12.14 H new ATOM 0 HG2 MET A 85 5.394 -9.976 -12.742 1.00 34.22 H new ATOM 0 HG3 MET A 85 6.491 -8.663 -12.363 1.00 34.22 H new ATOM 0 HE1 MET A 85 9.771 -9.490 -13.980 1.00 3.23 H new ATOM 0 HE2 MET A 85 8.919 -8.709 -12.626 1.00 3.23 H new ATOM 0 HE3 MET A 85 9.556 -10.361 -12.443 1.00 3.23 H new