USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 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 -97:sc= 1.18 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 16 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= 0 (180deg=-1.21) USER MOD Single : A 18 ASN : amide:sc= -0.0833 X(o=-0.083,f=-0.54) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD Single : A 35 CYS SG : rot 8:sc= 0.198 USER MOD Single : A 37 SER OG : rot 180:sc= -0.55 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.16 (180deg=-0.616) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 178:sc= -5.58! (180deg=-5.71!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.945 F(o=-0.33,f=0.95) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 58 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.19) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -133:sc= -1.93! (180deg=-3.31!) USER MOD Single : A 81 MET CE :methyl -148:sc= -0.229 (180deg=-1.39) USER MOD Single : A 84 CYS SG : rot -34:sc= 0.0234 USER MOD Single : A 85 MET CE :methyl -162:sc= 0 (180deg=-0.0397) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 5.889 -4.752 -5.717 1.00 23.31 N ATOM 62 CA TYR A 5 5.095 -4.820 -6.937 1.00 54.44 C ATOM 63 C TYR A 5 5.247 -3.542 -7.758 1.00 32.33 C ATOM 64 O TYR A 5 5.376 -3.587 -8.981 1.00 60.23 O ATOM 65 CB TYR A 5 3.621 -5.049 -6.599 1.00 74.22 C ATOM 66 CG TYR A 5 3.343 -6.406 -5.993 1.00 33.12 C ATOM 67 CD1 TYR A 5 3.969 -7.547 -6.478 1.00 24.34 C ATOM 68 CD2 TYR A 5 2.454 -6.547 -4.934 1.00 52.50 C ATOM 69 CE1 TYR A 5 3.718 -8.789 -5.927 1.00 53.00 C ATOM 70 CE2 TYR A 5 2.197 -7.784 -4.376 1.00 62.12 C ATOM 71 CZ TYR A 5 2.831 -8.902 -4.876 1.00 62.25 C ATOM 72 OH TYR A 5 2.579 -10.137 -4.324 1.00 71.23 O ATOM 0 HA TYR A 5 5.459 -5.658 -7.531 1.00 54.44 H new ATOM 0 HB2 TYR A 5 3.292 -4.276 -5.905 1.00 74.22 H new ATOM 0 HB3 TYR A 5 3.027 -4.937 -7.506 1.00 74.22 H new ATOM 0 HD1 TYR A 5 4.664 -7.462 -7.300 1.00 24.34 H new ATOM 0 HD2 TYR A 5 1.955 -5.674 -4.540 1.00 52.50 H new ATOM 0 HE1 TYR A 5 4.213 -9.666 -6.317 1.00 53.00 H new ATOM 0 HE2 TYR A 5 1.504 -7.875 -3.553 1.00 62.12 H new ATOM 0 HH TYR A 5 1.933 -10.043 -3.593 1.00 71.23 H new ATOM 82 N LYS A 6 5.231 -2.403 -7.074 1.00 41.14 N ATOM 83 CA LYS A 6 5.369 -1.111 -7.736 1.00 61.15 C ATOM 84 C LYS A 6 6.757 -0.960 -8.351 1.00 21.21 C ATOM 85 O LYS A 6 6.937 -0.238 -9.331 1.00 71.21 O ATOM 86 CB LYS A 6 5.113 0.024 -6.743 1.00 5.33 C ATOM 87 CG LYS A 6 6.328 0.385 -5.905 1.00 63.42 C ATOM 88 CD LYS A 6 7.134 1.503 -6.544 1.00 41.40 C ATOM 89 CE LYS A 6 7.728 2.431 -5.495 1.00 40.44 C ATOM 90 NZ LYS A 6 6.712 3.372 -4.948 1.00 33.25 N ATOM 0 H LYS A 6 5.124 -2.348 -6.061 1.00 41.14 H new ATOM 0 HA LYS A 6 4.630 -1.060 -8.535 1.00 61.15 H new ATOM 0 HB2 LYS A 6 4.784 0.907 -7.291 1.00 5.33 H new ATOM 0 HB3 LYS A 6 4.297 -0.262 -6.080 1.00 5.33 H new ATOM 0 HG2 LYS A 6 6.007 0.690 -4.909 1.00 63.42 H new ATOM 0 HG3 LYS A 6 6.960 -0.495 -5.780 1.00 63.42 H new ATOM 0 HD2 LYS A 6 7.934 1.076 -7.149 1.00 41.40 H new ATOM 0 HD3 LYS A 6 6.495 2.075 -7.217 1.00 41.40 H new ATOM 0 HE2 LYS A 6 8.149 1.839 -4.683 1.00 40.44 H new ATOM 0 HE3 LYS A 6 8.549 2.998 -5.935 1.00 40.44 H new ATOM 0 HZ1 LYS A 6 7.156 3.987 -4.237 1.00 33.25 H new ATOM 0 HZ2 LYS A 6 6.328 3.955 -5.719 1.00 33.25 H new ATOM 0 HZ3 LYS A 6 5.941 2.832 -4.506 1.00 33.25 H new ATOM 104 N ALA A 7 7.735 -1.647 -7.769 1.00 73.21 N ATOM 105 CA ALA A 7 9.105 -1.592 -8.262 1.00 3.11 C ATOM 106 C ALA A 7 9.227 -2.267 -9.624 1.00 54.30 C ATOM 107 O ALA A 7 9.624 -1.639 -10.605 1.00 4.01 O ATOM 108 CB ALA A 7 10.052 -2.241 -7.263 1.00 51.01 C ATOM 0 H ALA A 7 7.603 -2.248 -6.955 1.00 73.21 H new ATOM 0 HA ALA A 7 9.380 -0.544 -8.380 1.00 3.11 H new ATOM 0 HB1 ALA A 7 11.072 -2.193 -7.644 1.00 51.01 H new ATOM 0 HB2 ALA A 7 9.995 -1.713 -6.311 1.00 51.01 H new ATOM 0 HB3 ALA A 7 9.768 -3.283 -7.117 1.00 51.01 H new ATOM 114 N ALA A 8 8.882 -3.549 -9.677 1.00 31.13 N ATOM 115 CA ALA A 8 8.951 -4.308 -10.919 1.00 62.30 C ATOM 116 C ALA A 8 8.223 -3.584 -12.046 1.00 62.23 C ATOM 117 O ALA A 8 8.764 -3.413 -13.139 1.00 73.51 O ATOM 118 CB ALA A 8 8.369 -5.700 -10.720 1.00 51.13 C ATOM 0 H ALA A 8 8.552 -4.084 -8.874 1.00 31.13 H new ATOM 0 HA ALA A 8 10.000 -4.402 -11.201 1.00 62.30 H new ATOM 0 HB1 ALA A 8 8.427 -6.256 -11.656 1.00 51.13 H new ATOM 0 HB2 ALA A 8 8.935 -6.225 -9.951 1.00 51.13 H new ATOM 0 HB3 ALA A 8 7.327 -5.618 -10.411 1.00 51.13 H new ATOM 124 N VAL A 9 6.993 -3.161 -11.774 1.00 51.41 N ATOM 125 CA VAL A 9 6.191 -2.454 -12.766 1.00 34.24 C ATOM 126 C VAL A 9 6.839 -1.130 -13.155 1.00 73.40 C ATOM 127 O VAL A 9 6.762 -0.706 -14.308 1.00 32.35 O ATOM 128 CB VAL A 9 4.767 -2.183 -12.245 1.00 54.42 C ATOM 129 CG1 VAL A 9 4.807 -1.263 -11.034 1.00 31.30 C ATOM 130 CG2 VAL A 9 3.901 -1.589 -13.347 1.00 25.23 C ATOM 0 H VAL A 9 6.530 -3.295 -10.875 1.00 51.41 H new ATOM 0 HA VAL A 9 6.133 -3.098 -13.644 1.00 34.24 H new ATOM 0 HB VAL A 9 4.325 -3.131 -11.937 1.00 54.42 H new ATOM 0 HG11 VAL A 9 3.792 -1.083 -10.680 1.00 31.30 H new ATOM 0 HG12 VAL A 9 5.390 -1.731 -10.241 1.00 31.30 H new ATOM 0 HG13 VAL A 9 5.268 -0.315 -11.312 1.00 31.30 H new ATOM 0 HG21 VAL A 9 2.898 -1.404 -12.962 1.00 25.23 H new ATOM 0 HG22 VAL A 9 4.338 -0.650 -13.687 1.00 25.23 H new ATOM 0 HG23 VAL A 9 3.846 -2.287 -14.182 1.00 25.23 H new ATOM 140 N GLU A 10 7.478 -0.483 -12.186 1.00 15.33 N ATOM 141 CA GLU A 10 8.139 0.794 -12.428 1.00 61.10 C ATOM 142 C GLU A 10 9.337 0.618 -13.357 1.00 2.23 C ATOM 143 O GLU A 10 9.799 1.575 -13.978 1.00 75.12 O ATOM 144 CB GLU A 10 8.592 1.418 -11.106 1.00 53.24 C ATOM 145 CG GLU A 10 7.560 2.345 -10.486 1.00 74.10 C ATOM 146 CD GLU A 10 8.013 3.792 -10.465 1.00 32.23 C ATOM 147 OE1 GLU A 10 8.685 4.189 -9.490 1.00 54.43 O ATOM 148 OE2 GLU A 10 7.695 4.526 -11.424 1.00 2.44 O ATOM 0 H GLU A 10 7.552 -0.822 -11.227 1.00 15.33 H new ATOM 0 HA GLU A 10 7.422 1.460 -12.909 1.00 61.10 H new ATOM 0 HB2 GLU A 10 8.824 0.622 -10.399 1.00 53.24 H new ATOM 0 HB3 GLU A 10 9.514 1.975 -11.274 1.00 53.24 H new ATOM 0 HG2 GLU A 10 6.627 2.268 -11.044 1.00 74.10 H new ATOM 0 HG3 GLU A 10 7.350 2.019 -9.467 1.00 74.10 H new ATOM 155 N GLN A 11 9.835 -0.611 -13.444 1.00 43.12 N ATOM 156 CA GLN A 11 10.980 -0.912 -14.296 1.00 1.15 C ATOM 157 C GLN A 11 10.528 -1.293 -15.701 1.00 71.03 C ATOM 158 O GLN A 11 11.349 -1.592 -16.569 1.00 60.14 O ATOM 159 CB GLN A 11 11.810 -2.045 -13.689 1.00 74.10 C ATOM 160 CG GLN A 11 12.089 -1.868 -12.205 1.00 42.44 C ATOM 161 CD GLN A 11 13.536 -2.146 -11.847 1.00 14.23 C ATOM 162 OE1 GLN A 11 14.207 -1.314 -11.236 1.00 10.30 O ATOM 163 NE2 GLN A 11 14.024 -3.321 -12.225 1.00 61.22 N ATOM 0 H GLN A 11 9.464 -1.414 -12.936 1.00 43.12 H new ATOM 0 HA GLN A 11 11.596 -0.016 -14.364 1.00 1.15 H new ATOM 0 HB2 GLN A 11 11.287 -2.989 -13.842 1.00 74.10 H new ATOM 0 HB3 GLN A 11 12.758 -2.116 -14.222 1.00 74.10 H new ATOM 0 HG2 GLN A 11 11.835 -0.850 -11.910 1.00 42.44 H new ATOM 0 HG3 GLN A 11 11.443 -2.536 -11.635 1.00 42.44 H new ATOM 0 HE21 GLN A 11 13.432 -3.981 -12.730 1.00 61.22 H new ATOM 0 HE22 GLN A 11 14.991 -3.564 -12.011 1.00 61.22 H new ATOM 172 N LEU A 12 9.218 -1.281 -15.919 1.00 54.24 N ATOM 173 CA LEU A 12 8.655 -1.626 -17.221 1.00 3.44 C ATOM 174 C LEU A 12 8.997 -0.563 -18.260 1.00 61.23 C ATOM 175 O LEU A 12 9.536 0.494 -17.930 1.00 62.25 O ATOM 176 CB LEU A 12 7.137 -1.784 -17.116 1.00 44.15 C ATOM 177 CG LEU A 12 6.641 -2.976 -16.297 1.00 44.02 C ATOM 178 CD1 LEU A 12 5.147 -2.861 -16.038 1.00 4.34 C ATOM 179 CD2 LEU A 12 6.962 -4.282 -17.009 1.00 33.41 C ATOM 0 H LEU A 12 8.525 -1.036 -15.212 1.00 54.24 H new ATOM 0 HA LEU A 12 9.091 -2.573 -17.540 1.00 3.44 H new ATOM 0 HB2 LEU A 12 6.726 -0.873 -16.680 1.00 44.15 H new ATOM 0 HB3 LEU A 12 6.730 -1.867 -18.124 1.00 44.15 H new ATOM 0 HG LEU A 12 7.156 -2.973 -15.337 1.00 44.02 H new ATOM 0 HD11 LEU A 12 4.812 -3.718 -15.454 1.00 4.34 H new ATOM 0 HD12 LEU A 12 4.943 -1.944 -15.486 1.00 4.34 H new ATOM 0 HD13 LEU A 12 4.614 -2.839 -16.988 1.00 4.34 H new ATOM 0 HD21 LEU A 12 6.602 -5.120 -16.412 1.00 33.41 H new ATOM 0 HD22 LEU A 12 6.474 -4.295 -17.984 1.00 33.41 H new ATOM 0 HD23 LEU A 12 8.040 -4.368 -17.142 1.00 33.41 H new ATOM 191 N THR A 13 8.678 -0.850 -19.519 1.00 1.32 N ATOM 192 CA THR A 13 8.950 0.081 -20.607 1.00 20.10 C ATOM 193 C THR A 13 7.805 1.072 -20.782 1.00 21.01 C ATOM 194 O THR A 13 6.691 0.835 -20.316 1.00 41.02 O ATOM 195 CB THR A 13 9.179 -0.662 -21.937 1.00 51.40 C ATOM 196 OG1 THR A 13 8.226 -1.722 -22.077 1.00 3.53 O ATOM 197 CG2 THR A 13 10.589 -1.228 -22.005 1.00 21.12 C ATOM 0 H THR A 13 8.231 -1.720 -19.810 1.00 1.32 H new ATOM 0 HA THR A 13 9.858 0.623 -20.341 1.00 20.10 H new ATOM 0 HB THR A 13 9.051 0.050 -22.752 1.00 51.40 H new ATOM 0 HG1 THR A 13 8.377 -2.188 -22.926 1.00 3.53 H new ATOM 0 HG21 THR A 13 10.727 -1.748 -22.953 1.00 21.12 H new ATOM 0 HG22 THR A 13 11.311 -0.415 -21.928 1.00 21.12 H new ATOM 0 HG23 THR A 13 10.741 -1.927 -21.182 1.00 21.12 H new ATOM 205 N GLU A 14 8.087 2.182 -21.456 1.00 44.25 N ATOM 206 CA GLU A 14 7.079 3.209 -21.692 1.00 43.21 C ATOM 207 C GLU A 14 5.928 2.659 -22.529 1.00 14.23 C ATOM 208 O GLU A 14 4.770 3.019 -22.321 1.00 15.32 O ATOM 209 CB GLU A 14 7.704 4.416 -22.395 1.00 53.30 C ATOM 210 CG GLU A 14 8.922 4.974 -21.679 1.00 43.42 C ATOM 211 CD GLU A 14 10.114 5.143 -22.601 1.00 62.12 C ATOM 212 OE1 GLU A 14 10.407 4.204 -23.370 1.00 65.04 O ATOM 213 OE2 GLU A 14 10.754 6.215 -22.553 1.00 73.33 O ATOM 0 H GLU A 14 9.005 2.393 -21.848 1.00 44.25 H new ATOM 0 HA GLU A 14 6.685 3.524 -20.726 1.00 43.21 H new ATOM 0 HB2 GLU A 14 7.988 4.129 -23.408 1.00 53.30 H new ATOM 0 HB3 GLU A 14 6.954 5.202 -22.485 1.00 53.30 H new ATOM 0 HG2 GLU A 14 8.669 5.938 -21.238 1.00 43.42 H new ATOM 0 HG3 GLU A 14 9.193 4.309 -20.859 1.00 43.42 H new ATOM 220 N GLU A 15 6.256 1.785 -23.475 1.00 50.53 N ATOM 221 CA GLU A 15 5.249 1.187 -24.344 1.00 42.21 C ATOM 222 C GLU A 15 4.318 0.276 -23.550 1.00 73.33 C ATOM 223 O GLU A 15 3.096 0.374 -23.660 1.00 71.41 O ATOM 224 CB GLU A 15 5.920 0.395 -25.468 1.00 74.05 C ATOM 225 CG GLU A 15 6.643 1.268 -26.480 1.00 61.33 C ATOM 226 CD GLU A 15 5.690 2.053 -27.361 1.00 21.34 C ATOM 227 OE1 GLU A 15 4.613 1.517 -27.695 1.00 51.22 O ATOM 228 OE2 GLU A 15 6.022 3.204 -27.715 1.00 22.54 O ATOM 0 H GLU A 15 7.210 1.475 -23.659 1.00 50.53 H new ATOM 0 HA GLU A 15 4.657 1.992 -24.780 1.00 42.21 H new ATOM 0 HB2 GLU A 15 6.631 -0.307 -25.032 1.00 74.05 H new ATOM 0 HB3 GLU A 15 5.165 -0.197 -25.985 1.00 74.05 H new ATOM 0 HG2 GLU A 15 7.299 1.961 -25.953 1.00 61.33 H new ATOM 0 HG3 GLU A 15 7.278 0.642 -27.106 1.00 61.33 H new ATOM 235 N GLN A 16 4.905 -0.610 -22.752 1.00 10.00 N ATOM 236 CA GLN A 16 4.128 -1.540 -21.941 1.00 11.31 C ATOM 237 C GLN A 16 3.246 -0.790 -20.948 1.00 2.04 C ATOM 238 O GLN A 16 2.029 -0.976 -20.917 1.00 45.14 O ATOM 239 CB GLN A 16 5.057 -2.498 -21.194 1.00 4.31 C ATOM 240 CG GLN A 16 5.883 -3.384 -22.112 1.00 71.33 C ATOM 241 CD GLN A 16 5.251 -4.745 -22.332 1.00 44.25 C ATOM 242 OE1 GLN A 16 4.165 -5.027 -21.827 1.00 12.15 O ATOM 243 NE2 GLN A 16 5.931 -5.597 -23.091 1.00 34.30 N ATOM 0 H GLN A 16 5.916 -0.703 -22.650 1.00 10.00 H new ATOM 0 HA GLN A 16 3.486 -2.115 -22.608 1.00 11.31 H new ATOM 0 HB2 GLN A 16 5.729 -1.919 -20.560 1.00 4.31 H new ATOM 0 HB3 GLN A 16 4.461 -3.128 -20.534 1.00 4.31 H new ATOM 0 HG2 GLN A 16 6.010 -2.887 -23.074 1.00 71.33 H new ATOM 0 HG3 GLN A 16 6.878 -3.514 -21.687 1.00 71.33 H new ATOM 0 HE21 GLN A 16 6.828 -5.321 -23.490 1.00 34.30 H new ATOM 0 HE22 GLN A 16 5.556 -6.527 -23.275 1.00 34.30 H new ATOM 252 N LYS A 17 3.868 0.058 -20.135 1.00 53.12 N ATOM 253 CA LYS A 17 3.141 0.838 -19.140 1.00 74.45 C ATOM 254 C LYS A 17 1.989 1.603 -19.784 1.00 71.25 C ATOM 255 O LYS A 17 0.962 1.844 -19.152 1.00 54.13 O ATOM 256 CB LYS A 17 4.086 1.814 -18.437 1.00 52.43 C ATOM 257 CG LYS A 17 3.533 2.365 -17.134 1.00 75.32 C ATOM 258 CD LYS A 17 3.401 1.277 -16.081 1.00 11.40 C ATOM 259 CE LYS A 17 3.906 1.750 -14.726 1.00 64.43 C ATOM 260 NZ LYS A 17 3.159 2.942 -14.240 1.00 54.12 N ATOM 0 H LYS A 17 4.875 0.222 -20.146 1.00 53.12 H new ATOM 0 HA LYS A 17 2.729 0.148 -18.404 1.00 74.45 H new ATOM 0 HB2 LYS A 17 5.031 1.310 -18.236 1.00 52.43 H new ATOM 0 HB3 LYS A 17 4.303 2.644 -19.109 1.00 52.43 H new ATOM 0 HG2 LYS A 17 4.188 3.153 -16.764 1.00 75.32 H new ATOM 0 HG3 LYS A 17 2.558 2.819 -17.314 1.00 75.32 H new ATOM 0 HD2 LYS A 17 2.357 0.975 -15.997 1.00 11.40 H new ATOM 0 HD3 LYS A 17 3.963 0.397 -16.393 1.00 11.40 H new ATOM 0 HE2 LYS A 17 3.811 0.942 -14.001 1.00 64.43 H new ATOM 0 HE3 LYS A 17 4.967 1.991 -14.798 1.00 64.43 H new ATOM 0 HZ1 LYS A 17 3.790 3.769 -14.236 1.00 54.12 H new ATOM 0 HZ2 LYS A 17 2.351 3.126 -14.869 1.00 54.12 H new ATOM 0 HZ3 LYS A 17 2.813 2.765 -13.275 1.00 54.12 H new ATOM 274 N ASN A 18 2.167 1.980 -21.046 1.00 45.33 N ATOM 275 CA ASN A 18 1.142 2.717 -21.776 1.00 2.41 C ATOM 276 C ASN A 18 -0.086 1.845 -22.019 1.00 43.11 C ATOM 277 O ASN A 18 -1.214 2.336 -22.035 1.00 61.10 O ATOM 278 CB ASN A 18 1.698 3.219 -23.110 1.00 54.14 C ATOM 279 CG ASN A 18 1.904 4.721 -23.123 1.00 0.44 C ATOM 280 OD1 ASN A 18 1.081 5.476 -22.605 1.00 0.52 O ATOM 281 ND2 ASN A 18 3.007 5.162 -23.716 1.00 43.00 N ATOM 0 H ASN A 18 3.012 1.787 -21.584 1.00 45.33 H new ATOM 0 HA ASN A 18 0.843 3.572 -21.170 1.00 2.41 H new ATOM 0 HB2 ASN A 18 2.647 2.723 -23.314 1.00 54.14 H new ATOM 0 HB3 ASN A 18 1.014 2.942 -23.913 1.00 54.14 H new ATOM 0 HD21 ASN A 18 3.200 6.163 -23.755 1.00 43.00 H new ATOM 0 HD22 ASN A 18 3.662 4.500 -24.132 1.00 43.00 H new ATOM 288 N GLU A 19 0.144 0.549 -22.207 1.00 55.22 N ATOM 289 CA GLU A 19 -0.944 -0.391 -22.450 1.00 14.04 C ATOM 290 C GLU A 19 -1.809 -0.556 -21.203 1.00 1.10 C ATOM 291 O GLU A 19 -3.037 -0.502 -21.274 1.00 1.12 O ATOM 292 CB GLU A 19 -0.388 -1.749 -22.881 1.00 24.42 C ATOM 293 CG GLU A 19 0.564 -1.670 -24.063 1.00 0.24 C ATOM 294 CD GLU A 19 0.548 -2.927 -24.910 1.00 51.14 C ATOM 295 OE1 GLU A 19 -0.333 -3.040 -25.789 1.00 3.25 O ATOM 296 OE2 GLU A 19 1.417 -3.798 -24.695 1.00 53.13 O ATOM 0 H GLU A 19 1.072 0.127 -22.196 1.00 55.22 H new ATOM 0 HA GLU A 19 -1.564 0.010 -23.251 1.00 14.04 H new ATOM 0 HB2 GLU A 19 0.131 -2.204 -22.037 1.00 24.42 H new ATOM 0 HB3 GLU A 19 -1.218 -2.407 -23.137 1.00 24.42 H new ATOM 0 HG2 GLU A 19 0.296 -0.815 -24.684 1.00 0.24 H new ATOM 0 HG3 GLU A 19 1.576 -1.495 -23.698 1.00 0.24 H new ATOM 303 N PHE A 20 -1.159 -0.758 -20.062 1.00 3.23 N ATOM 304 CA PHE A 20 -1.867 -0.932 -18.799 1.00 22.31 C ATOM 305 C PHE A 20 -2.815 0.235 -18.542 1.00 35.35 C ATOM 306 O PHE A 20 -3.864 0.072 -17.918 1.00 32.25 O ATOM 307 CB PHE A 20 -0.871 -1.059 -17.644 1.00 44.34 C ATOM 308 CG PHE A 20 -0.064 -2.325 -17.684 1.00 71.25 C ATOM 309 CD1 PHE A 20 -0.558 -3.494 -17.128 1.00 25.14 C ATOM 310 CD2 PHE A 20 1.187 -2.347 -18.279 1.00 50.04 C ATOM 311 CE1 PHE A 20 0.183 -4.661 -17.162 1.00 50.45 C ATOM 312 CE2 PHE A 20 1.932 -3.511 -18.318 1.00 11.34 C ATOM 313 CZ PHE A 20 1.429 -4.669 -17.759 1.00 74.22 C ATOM 0 H PHE A 20 -0.143 -0.805 -19.986 1.00 3.23 H new ATOM 0 HA PHE A 20 -2.455 -1.847 -18.864 1.00 22.31 H new ATOM 0 HB2 PHE A 20 -0.194 -0.205 -17.664 1.00 44.34 H new ATOM 0 HB3 PHE A 20 -1.414 -1.014 -16.700 1.00 44.34 H new ATOM 0 HD1 PHE A 20 -1.533 -3.494 -16.663 1.00 25.14 H new ATOM 0 HD2 PHE A 20 1.585 -1.444 -18.718 1.00 50.04 H new ATOM 0 HE1 PHE A 20 -0.212 -5.565 -16.722 1.00 50.45 H new ATOM 0 HE2 PHE A 20 2.906 -3.514 -18.785 1.00 11.34 H new ATOM 0 HZ PHE A 20 2.009 -5.580 -17.788 1.00 74.22 H new ATOM 323 N LYS A 21 -2.439 1.413 -19.026 1.00 51.23 N ATOM 324 CA LYS A 21 -3.255 2.609 -18.851 1.00 4.13 C ATOM 325 C LYS A 21 -4.380 2.656 -19.879 1.00 34.32 C ATOM 326 O LYS A 21 -5.483 3.117 -19.585 1.00 70.50 O ATOM 327 CB LYS A 21 -2.388 3.865 -18.971 1.00 22.43 C ATOM 328 CG LYS A 21 -3.090 5.134 -18.521 1.00 31.14 C ATOM 329 CD LYS A 21 -3.760 5.844 -19.685 1.00 62.44 C ATOM 330 CE LYS A 21 -4.566 7.045 -19.217 1.00 34.03 C ATOM 331 NZ LYS A 21 -5.778 6.636 -18.453 1.00 43.10 N ATOM 0 H LYS A 21 -1.573 1.566 -19.543 1.00 51.23 H new ATOM 0 HA LYS A 21 -3.698 2.573 -17.856 1.00 4.13 H new ATOM 0 HB2 LYS A 21 -1.484 3.730 -18.378 1.00 22.43 H new ATOM 0 HB3 LYS A 21 -2.074 3.982 -20.008 1.00 22.43 H new ATOM 0 HG2 LYS A 21 -3.836 4.889 -17.765 1.00 31.14 H new ATOM 0 HG3 LYS A 21 -2.369 5.803 -18.052 1.00 31.14 H new ATOM 0 HD2 LYS A 21 -3.003 6.169 -20.399 1.00 62.44 H new ATOM 0 HD3 LYS A 21 -4.414 5.147 -20.209 1.00 62.44 H new ATOM 0 HE2 LYS A 21 -3.940 7.681 -18.591 1.00 34.03 H new ATOM 0 HE3 LYS A 21 -4.864 7.641 -20.080 1.00 34.03 H new ATOM 0 HZ1 LYS A 21 -6.403 7.458 -18.327 1.00 43.10 H new ATOM 0 HZ2 LYS A 21 -6.284 5.893 -18.976 1.00 43.10 H new ATOM 0 HZ3 LYS A 21 -5.494 6.271 -17.521 1.00 43.10 H new ATOM 345 N ALA A 22 -4.095 2.174 -21.084 1.00 52.42 N ATOM 346 CA ALA A 22 -5.085 2.158 -22.154 1.00 40.11 C ATOM 347 C ALA A 22 -6.163 1.113 -21.888 1.00 54.25 C ATOM 348 O ALA A 22 -7.346 1.439 -21.794 1.00 34.23 O ATOM 349 CB ALA A 22 -4.411 1.895 -23.493 1.00 0.23 C ATOM 0 H ALA A 22 -3.187 1.789 -21.344 1.00 52.42 H new ATOM 0 HA ALA A 22 -5.564 3.136 -22.187 1.00 40.11 H new ATOM 0 HB1 ALA A 22 -5.162 1.886 -24.283 1.00 0.23 H new ATOM 0 HB2 ALA A 22 -3.683 2.680 -23.694 1.00 0.23 H new ATOM 0 HB3 ALA A 22 -3.905 0.930 -23.462 1.00 0.23 H new ATOM 355 N ALA A 23 -5.747 -0.143 -21.770 1.00 20.30 N ATOM 356 CA ALA A 23 -6.678 -1.236 -21.514 1.00 4.51 C ATOM 357 C ALA A 23 -7.498 -0.974 -20.255 1.00 62.22 C ATOM 358 O ALA A 23 -8.647 -1.403 -20.151 1.00 53.11 O ATOM 359 CB ALA A 23 -5.925 -2.552 -21.392 1.00 72.30 C ATOM 0 H ALA A 23 -4.771 -0.430 -21.848 1.00 20.30 H new ATOM 0 HA ALA A 23 -7.366 -1.301 -22.357 1.00 4.51 H new ATOM 0 HB1 ALA A 23 -6.632 -3.359 -21.201 1.00 72.30 H new ATOM 0 HB2 ALA A 23 -5.388 -2.751 -22.320 1.00 72.30 H new ATOM 0 HB3 ALA A 23 -5.214 -2.490 -20.568 1.00 72.30 H new ATOM 365 N PHE A 24 -6.900 -0.269 -19.301 1.00 21.03 N ATOM 366 CA PHE A 24 -7.575 0.048 -18.048 1.00 21.14 C ATOM 367 C PHE A 24 -8.696 1.058 -18.274 1.00 4.41 C ATOM 368 O PHE A 24 -9.686 1.078 -17.543 1.00 21.53 O ATOM 369 CB PHE A 24 -6.574 0.599 -17.030 1.00 31.43 C ATOM 370 CG PHE A 24 -7.220 1.138 -15.786 1.00 1.34 C ATOM 371 CD1 PHE A 24 -7.780 0.281 -14.852 1.00 74.05 C ATOM 372 CD2 PHE A 24 -7.266 2.503 -15.549 1.00 70.30 C ATOM 373 CE1 PHE A 24 -8.376 0.775 -13.707 1.00 40.14 C ATOM 374 CE2 PHE A 24 -7.860 3.003 -14.405 1.00 61.44 C ATOM 375 CZ PHE A 24 -8.415 2.137 -13.483 1.00 3.41 C ATOM 0 H PHE A 24 -5.949 0.094 -19.371 1.00 21.03 H new ATOM 0 HA PHE A 24 -8.012 -0.871 -17.657 1.00 21.14 H new ATOM 0 HB2 PHE A 24 -5.876 -0.191 -16.754 1.00 31.43 H new ATOM 0 HB3 PHE A 24 -5.990 1.391 -17.499 1.00 31.43 H new ATOM 0 HD1 PHE A 24 -7.750 -0.785 -15.021 1.00 74.05 H new ATOM 0 HD2 PHE A 24 -6.833 3.184 -16.267 1.00 70.30 H new ATOM 0 HE1 PHE A 24 -8.811 0.096 -12.988 1.00 40.14 H new ATOM 0 HE2 PHE A 24 -7.890 4.069 -14.233 1.00 61.44 H new ATOM 0 HZ PHE A 24 -8.879 2.525 -12.588 1.00 3.41 H new ATOM 385 N ASP A 25 -8.531 1.897 -19.291 1.00 72.11 N ATOM 386 CA ASP A 25 -9.528 2.911 -19.615 1.00 72.42 C ATOM 387 C ASP A 25 -10.852 2.264 -20.011 1.00 31.24 C ATOM 388 O ASP A 25 -11.924 2.759 -19.662 1.00 73.02 O ATOM 389 CB ASP A 25 -9.026 3.807 -20.748 1.00 62.21 C ATOM 390 CG ASP A 25 -9.989 4.934 -21.065 1.00 60.23 C ATOM 391 OD1 ASP A 25 -11.025 4.666 -21.710 1.00 20.35 O ATOM 392 OD2 ASP A 25 -9.707 6.084 -20.669 1.00 33.33 O ATOM 0 H ASP A 25 -7.717 1.895 -19.905 1.00 72.11 H new ATOM 0 HA ASP A 25 -9.693 3.520 -18.726 1.00 72.42 H new ATOM 0 HB2 ASP A 25 -8.058 4.226 -20.474 1.00 62.21 H new ATOM 0 HB3 ASP A 25 -8.870 3.204 -21.642 1.00 62.21 H new ATOM 397 N ILE A 26 -10.769 1.156 -20.740 1.00 50.52 N ATOM 398 CA ILE A 26 -11.960 0.443 -21.183 1.00 33.43 C ATOM 399 C ILE A 26 -12.715 -0.154 -19.999 1.00 40.14 C ATOM 400 O ILE A 26 -13.946 -0.165 -19.976 1.00 61.22 O ATOM 401 CB ILE A 26 -11.607 -0.683 -22.172 1.00 61.42 C ATOM 402 CG1 ILE A 26 -10.931 -0.105 -23.417 1.00 2.32 C ATOM 403 CG2 ILE A 26 -12.856 -1.463 -22.555 1.00 61.13 C ATOM 404 CD1 ILE A 26 -9.420 -0.101 -23.337 1.00 53.31 C ATOM 0 H ILE A 26 -9.889 0.733 -21.036 1.00 50.52 H new ATOM 0 HA ILE A 26 -12.595 1.172 -21.687 1.00 33.43 H new ATOM 0 HB ILE A 26 -10.910 -1.366 -21.687 1.00 61.42 H new ATOM 0 HG12 ILE A 26 -11.239 -0.682 -24.289 1.00 2.32 H new ATOM 0 HG13 ILE A 26 -11.281 0.916 -23.570 1.00 2.32 H new ATOM 0 HG21 ILE A 26 -12.590 -2.255 -23.255 1.00 61.13 H new ATOM 0 HG22 ILE A 26 -13.299 -1.902 -21.661 1.00 61.13 H new ATOM 0 HG23 ILE A 26 -13.575 -0.791 -23.024 1.00 61.13 H new ATOM 0 HD11 ILE A 26 -9.008 0.322 -24.253 1.00 53.31 H new ATOM 0 HD12 ILE A 26 -9.102 0.500 -22.485 1.00 53.31 H new ATOM 0 HD13 ILE A 26 -9.059 -1.122 -23.215 1.00 53.31 H new ATOM 416 N PHE A 27 -11.969 -0.648 -19.017 1.00 43.30 N ATOM 417 CA PHE A 27 -12.567 -1.245 -17.829 1.00 22.50 C ATOM 418 C PHE A 27 -13.380 -0.214 -17.052 1.00 71.30 C ATOM 419 O PHE A 27 -14.553 -0.433 -16.748 1.00 22.12 O ATOM 420 CB PHE A 27 -11.481 -1.839 -16.929 1.00 10.32 C ATOM 421 CG PHE A 27 -11.154 -3.270 -17.247 1.00 41.54 C ATOM 422 CD1 PHE A 27 -10.415 -3.591 -18.375 1.00 2.35 C ATOM 423 CD2 PHE A 27 -11.586 -4.294 -16.420 1.00 1.50 C ATOM 424 CE1 PHE A 27 -10.112 -4.906 -18.670 1.00 63.45 C ATOM 425 CE2 PHE A 27 -11.285 -5.611 -16.711 1.00 15.15 C ATOM 426 CZ PHE A 27 -10.549 -5.918 -17.838 1.00 4.23 C ATOM 0 H PHE A 27 -10.949 -0.647 -19.020 1.00 43.30 H new ATOM 0 HA PHE A 27 -13.238 -2.041 -18.152 1.00 22.50 H new ATOM 0 HB2 PHE A 27 -10.576 -1.239 -17.021 1.00 10.32 H new ATOM 0 HB3 PHE A 27 -11.804 -1.771 -15.890 1.00 10.32 H new ATOM 0 HD1 PHE A 27 -10.072 -2.804 -19.031 1.00 2.35 H new ATOM 0 HD2 PHE A 27 -12.164 -4.061 -15.538 1.00 1.50 H new ATOM 0 HE1 PHE A 27 -9.534 -5.143 -19.551 1.00 63.45 H new ATOM 0 HE2 PHE A 27 -11.625 -6.400 -16.057 1.00 15.15 H new ATOM 0 HZ PHE A 27 -10.316 -6.947 -18.068 1.00 4.23 H new ATOM 436 N VAL A 28 -12.748 0.911 -16.733 1.00 72.14 N ATOM 437 CA VAL A 28 -13.412 1.977 -15.993 1.00 22.05 C ATOM 438 C VAL A 28 -14.191 2.894 -16.929 1.00 33.25 C ATOM 439 O VAL A 28 -14.749 3.906 -16.502 1.00 45.21 O ATOM 440 CB VAL A 28 -12.400 2.819 -15.193 1.00 21.45 C ATOM 441 CG1 VAL A 28 -11.547 1.926 -14.303 1.00 55.15 C ATOM 442 CG2 VAL A 28 -11.528 3.638 -16.132 1.00 71.22 C ATOM 0 H VAL A 28 -11.777 1.108 -16.976 1.00 72.14 H new ATOM 0 HA VAL A 28 -14.104 1.498 -15.300 1.00 22.05 H new ATOM 0 HB VAL A 28 -12.952 3.508 -14.554 1.00 21.45 H new ATOM 0 HG11 VAL A 28 -10.838 2.538 -13.746 1.00 55.15 H new ATOM 0 HG12 VAL A 28 -12.189 1.388 -13.605 1.00 55.15 H new ATOM 0 HG13 VAL A 28 -11.002 1.211 -14.920 1.00 55.15 H new ATOM 0 HG21 VAL A 28 -10.819 4.227 -15.550 1.00 71.22 H new ATOM 0 HG22 VAL A 28 -10.983 2.969 -16.799 1.00 71.22 H new ATOM 0 HG23 VAL A 28 -12.156 4.306 -16.722 1.00 71.22 H new ATOM 452 N LEU A 29 -14.227 2.533 -18.206 1.00 73.14 N ATOM 453 CA LEU A 29 -14.940 3.323 -19.205 1.00 22.32 C ATOM 454 C LEU A 29 -16.434 3.363 -18.902 1.00 13.11 C ATOM 455 O LEU A 29 -17.149 4.250 -19.368 1.00 23.41 O ATOM 456 CB LEU A 29 -14.706 2.745 -20.602 1.00 14.50 C ATOM 457 CG LEU A 29 -15.897 2.029 -21.240 1.00 31.45 C ATOM 458 CD1 LEU A 29 -16.789 3.021 -21.970 1.00 22.30 C ATOM 459 CD2 LEU A 29 -15.418 0.940 -22.189 1.00 32.23 C ATOM 0 H LEU A 29 -13.771 1.699 -18.575 1.00 73.14 H new ATOM 0 HA LEU A 29 -14.554 4.342 -19.171 1.00 22.32 H new ATOM 0 HB2 LEU A 29 -14.399 3.556 -21.262 1.00 14.50 H new ATOM 0 HB3 LEU A 29 -13.873 2.045 -20.549 1.00 14.50 H new ATOM 0 HG LEU A 29 -16.482 1.562 -20.448 1.00 31.45 H new ATOM 0 HD11 LEU A 29 -17.631 2.493 -22.417 1.00 22.30 H new ATOM 0 HD12 LEU A 29 -17.161 3.764 -21.264 1.00 22.30 H new ATOM 0 HD13 LEU A 29 -16.216 3.518 -22.752 1.00 22.30 H new ATOM 0 HD21 LEU A 29 -16.279 0.441 -22.634 1.00 32.23 H new ATOM 0 HD22 LEU A 29 -14.810 1.385 -22.976 1.00 32.23 H new ATOM 0 HD23 LEU A 29 -14.822 0.213 -21.637 1.00 32.23 H new ATOM 471 N GLY A 30 -16.900 2.397 -18.116 1.00 11.23 N ATOM 472 CA GLY A 30 -18.306 2.342 -17.762 1.00 55.21 C ATOM 473 C GLY A 30 -18.619 3.126 -16.503 1.00 23.44 C ATOM 474 O GLY A 30 -19.732 3.623 -16.333 1.00 25.34 O ATOM 0 H GLY A 30 -16.329 1.652 -17.718 1.00 11.23 H new ATOM 0 HA2 GLY A 30 -18.901 2.734 -18.587 1.00 55.21 H new ATOM 0 HA3 GLY A 30 -18.602 1.302 -17.622 1.00 55.21 H new ATOM 478 N ALA A 31 -17.634 3.235 -15.616 1.00 74.23 N ATOM 479 CA ALA A 31 -17.810 3.963 -14.366 1.00 44.40 C ATOM 480 C ALA A 31 -17.833 5.469 -14.607 1.00 2.03 C ATOM 481 O ALA A 31 -17.740 5.926 -15.745 1.00 63.35 O ATOM 482 CB ALA A 31 -16.705 3.601 -13.385 1.00 21.24 C ATOM 0 H ALA A 31 -16.707 2.828 -15.741 1.00 74.23 H new ATOM 0 HA ALA A 31 -18.770 3.675 -13.938 1.00 44.40 H new ATOM 0 HB1 ALA A 31 -16.849 4.152 -12.456 1.00 21.24 H new ATOM 0 HB2 ALA A 31 -16.736 2.531 -13.181 1.00 21.24 H new ATOM 0 HB3 ALA A 31 -15.738 3.861 -13.815 1.00 21.24 H new ATOM 488 N GLU A 32 -17.958 6.234 -13.527 1.00 54.50 N ATOM 489 CA GLU A 32 -17.996 7.689 -13.623 1.00 5.02 C ATOM 490 C GLU A 32 -16.695 8.301 -13.111 1.00 1.32 C ATOM 491 O GLU A 32 -16.075 9.124 -13.786 1.00 74.40 O ATOM 492 CB GLU A 32 -19.180 8.245 -12.830 1.00 34.51 C ATOM 493 CG GLU A 32 -20.532 7.807 -13.369 1.00 11.41 C ATOM 494 CD GLU A 32 -20.765 8.262 -14.797 1.00 34.43 C ATOM 495 OE1 GLU A 32 -20.686 9.481 -15.052 1.00 51.24 O ATOM 496 OE2 GLU A 32 -21.027 7.396 -15.659 1.00 13.45 O ATOM 0 H GLU A 32 -18.035 5.871 -12.577 1.00 54.50 H new ATOM 0 HA GLU A 32 -18.115 7.955 -14.673 1.00 5.02 H new ATOM 0 HB2 GLU A 32 -19.092 7.927 -11.791 1.00 34.51 H new ATOM 0 HB3 GLU A 32 -19.131 9.334 -12.836 1.00 34.51 H new ATOM 0 HG2 GLU A 32 -20.603 6.720 -13.321 1.00 11.41 H new ATOM 0 HG3 GLU A 32 -21.320 8.206 -12.731 1.00 11.41 H new ATOM 503 N ASP A 33 -16.288 7.895 -11.913 1.00 70.04 N ATOM 504 CA ASP A 33 -15.061 8.402 -11.310 1.00 12.42 C ATOM 505 C ASP A 33 -13.834 7.775 -11.964 1.00 11.11 C ATOM 506 O ASP A 33 -12.788 8.412 -12.083 1.00 20.51 O ATOM 507 CB ASP A 33 -15.053 8.121 -9.806 1.00 50.34 C ATOM 508 CG ASP A 33 -16.306 8.623 -9.117 1.00 13.33 C ATOM 509 OD1 ASP A 33 -16.694 9.785 -9.362 1.00 0.12 O ATOM 510 OD2 ASP A 33 -16.900 7.854 -8.333 1.00 10.14 O ATOM 0 H ASP A 33 -16.790 7.216 -11.341 1.00 70.04 H new ATOM 0 HA ASP A 33 -15.025 9.479 -11.471 1.00 12.42 H new ATOM 0 HB2 ASP A 33 -14.956 7.048 -9.640 1.00 50.34 H new ATOM 0 HB3 ASP A 33 -14.180 8.593 -9.356 1.00 50.34 H new ATOM 515 N GLY A 34 -13.970 6.521 -12.386 1.00 10.53 N ATOM 516 CA GLY A 34 -12.865 5.829 -13.021 1.00 65.41 C ATOM 517 C GLY A 34 -12.268 4.753 -12.135 1.00 33.10 C ATOM 518 O GLY A 34 -11.063 4.746 -11.882 1.00 30.54 O ATOM 0 H GLY A 34 -14.826 5.973 -12.299 1.00 10.53 H new ATOM 0 HA2 GLY A 34 -13.209 5.379 -13.952 1.00 65.41 H new ATOM 0 HA3 GLY A 34 -12.091 6.550 -13.283 1.00 65.41 H new ATOM 522 N CYS A 35 -13.113 3.844 -11.661 1.00 61.34 N ATOM 523 CA CYS A 35 -12.663 2.759 -10.796 1.00 3.42 C ATOM 524 C CYS A 35 -13.467 1.489 -11.052 1.00 53.31 C ATOM 525 O CYS A 35 -14.424 1.495 -11.828 1.00 23.33 O ATOM 526 CB CYS A 35 -12.785 3.167 -9.327 1.00 1.31 C ATOM 527 SG CYS A 35 -11.617 4.451 -8.818 1.00 35.33 S ATOM 0 H CYS A 35 -14.113 3.837 -11.861 1.00 61.34 H new ATOM 0 HA CYS A 35 -11.617 2.556 -11.024 1.00 3.42 H new ATOM 0 HB2 CYS A 35 -13.800 3.520 -9.142 1.00 1.31 H new ATOM 0 HB3 CYS A 35 -12.635 2.286 -8.703 1.00 1.31 H new ATOM 0 HG CYS A 35 -10.996 4.912 -9.863 1.00 35.33 H new ATOM 533 N ILE A 36 -13.072 0.403 -10.397 1.00 75.20 N ATOM 534 CA ILE A 36 -13.757 -0.875 -10.555 1.00 3.53 C ATOM 535 C ILE A 36 -14.031 -1.522 -9.202 1.00 14.24 C ATOM 536 O ILE A 36 -13.106 -1.894 -8.481 1.00 24.13 O ATOM 537 CB ILE A 36 -12.937 -1.849 -11.420 1.00 61.35 C ATOM 538 CG1 ILE A 36 -12.718 -1.264 -12.817 1.00 63.43 C ATOM 539 CG2 ILE A 36 -13.637 -3.197 -11.509 1.00 12.05 C ATOM 540 CD1 ILE A 36 -11.311 -1.457 -13.339 1.00 2.52 C ATOM 0 H ILE A 36 -12.282 0.382 -9.752 1.00 75.20 H new ATOM 0 HA ILE A 36 -14.703 -0.667 -11.054 1.00 3.53 H new ATOM 0 HB ILE A 36 -11.964 -1.997 -10.951 1.00 61.35 H new ATOM 0 HG12 ILE A 36 -13.421 -1.727 -13.510 1.00 63.43 H new ATOM 0 HG13 ILE A 36 -12.946 -0.198 -12.796 1.00 63.43 H new ATOM 0 HG21 ILE A 36 -13.045 -3.875 -12.124 1.00 12.05 H new ATOM 0 HG22 ILE A 36 -13.747 -3.617 -10.509 1.00 12.05 H new ATOM 0 HG23 ILE A 36 -14.622 -3.067 -11.958 1.00 12.05 H new ATOM 0 HD11 ILE A 36 -11.228 -1.018 -14.333 1.00 2.52 H new ATOM 0 HD12 ILE A 36 -10.604 -0.970 -12.667 1.00 2.52 H new ATOM 0 HD13 ILE A 36 -11.086 -2.522 -13.393 1.00 2.52 H new ATOM 552 N SER A 37 -15.310 -1.654 -8.864 1.00 31.33 N ATOM 553 CA SER A 37 -15.707 -2.255 -7.596 1.00 34.12 C ATOM 554 C SER A 37 -15.852 -3.768 -7.733 1.00 54.32 C ATOM 555 O SER A 37 -16.273 -4.272 -8.775 1.00 44.55 O ATOM 556 CB SER A 37 -17.024 -1.647 -7.110 1.00 35.23 C ATOM 557 OG SER A 37 -17.933 -1.474 -8.183 1.00 41.53 O ATOM 0 H SER A 37 -16.088 -1.353 -9.450 1.00 31.33 H new ATOM 0 HA SER A 37 -14.927 -2.047 -6.864 1.00 34.12 H new ATOM 0 HB2 SER A 37 -17.469 -2.293 -6.353 1.00 35.23 H new ATOM 0 HB3 SER A 37 -16.831 -0.685 -6.635 1.00 35.23 H new ATOM 0 HG SER A 37 -18.767 -1.086 -7.846 1.00 41.53 H new ATOM 563 N THR A 38 -15.501 -4.488 -6.673 1.00 30.43 N ATOM 564 CA THR A 38 -15.590 -5.943 -6.674 1.00 31.14 C ATOM 565 C THR A 38 -16.965 -6.409 -7.140 1.00 25.55 C ATOM 566 O THR A 38 -17.104 -7.491 -7.710 1.00 72.52 O ATOM 567 CB THR A 38 -15.310 -6.524 -5.275 1.00 14.13 C ATOM 568 OG1 THR A 38 -15.727 -7.893 -5.220 1.00 43.14 O ATOM 569 CG2 THR A 38 -16.036 -5.725 -4.202 1.00 63.22 C ATOM 0 H THR A 38 -15.152 -4.087 -5.802 1.00 30.43 H new ATOM 0 HA THR A 38 -14.832 -6.306 -7.368 1.00 31.14 H new ATOM 0 HB THR A 38 -14.238 -6.463 -5.089 1.00 14.13 H new ATOM 0 HG1 THR A 38 -15.544 -8.255 -4.328 1.00 43.14 H new ATOM 0 HG21 THR A 38 -15.823 -6.154 -3.223 1.00 63.22 H new ATOM 0 HG22 THR A 38 -15.696 -4.690 -4.227 1.00 63.22 H new ATOM 0 HG23 THR A 38 -17.110 -5.758 -4.387 1.00 63.22 H new ATOM 577 N LYS A 39 -17.978 -5.586 -6.894 1.00 32.44 N ATOM 578 CA LYS A 39 -19.343 -5.913 -7.290 1.00 1.14 C ATOM 579 C LYS A 39 -19.481 -5.922 -8.809 1.00 14.53 C ATOM 580 O LYS A 39 -20.059 -6.844 -9.383 1.00 12.15 O ATOM 581 CB LYS A 39 -20.326 -4.909 -6.683 1.00 60.10 C ATOM 582 CG LYS A 39 -20.000 -3.463 -7.013 1.00 5.12 C ATOM 583 CD LYS A 39 -20.338 -2.537 -5.856 1.00 65.22 C ATOM 584 CE LYS A 39 -21.838 -2.318 -5.738 1.00 40.31 C ATOM 585 NZ LYS A 39 -22.403 -1.681 -6.960 1.00 33.21 N ATOM 0 H LYS A 39 -17.880 -4.687 -6.422 1.00 32.44 H new ATOM 0 HA LYS A 39 -19.575 -6.910 -6.916 1.00 1.14 H new ATOM 0 HB2 LYS A 39 -21.331 -5.136 -7.039 1.00 60.10 H new ATOM 0 HB3 LYS A 39 -20.336 -5.032 -5.600 1.00 60.10 H new ATOM 0 HG2 LYS A 39 -18.941 -3.374 -7.254 1.00 5.12 H new ATOM 0 HG3 LYS A 39 -20.556 -3.157 -7.899 1.00 5.12 H new ATOM 0 HD2 LYS A 39 -19.957 -2.960 -4.927 1.00 65.22 H new ATOM 0 HD3 LYS A 39 -19.839 -1.578 -5.998 1.00 65.22 H new ATOM 0 HE2 LYS A 39 -22.332 -3.274 -5.565 1.00 40.31 H new ATOM 0 HE3 LYS A 39 -22.046 -1.690 -4.872 1.00 40.31 H new ATOM 0 HZ1 LYS A 39 -23.303 -1.215 -6.724 1.00 33.21 H new ATOM 0 HZ2 LYS A 39 -21.733 -0.975 -7.325 1.00 33.21 H new ATOM 0 HZ3 LYS A 39 -22.569 -2.408 -7.685 1.00 33.21 H new ATOM 599 N GLU A 40 -18.946 -4.889 -9.453 1.00 72.21 N ATOM 600 CA GLU A 40 -19.010 -4.780 -10.906 1.00 13.13 C ATOM 601 C GLU A 40 -17.961 -5.670 -11.565 1.00 44.22 C ATOM 602 O GLU A 40 -18.151 -6.150 -12.683 1.00 70.14 O ATOM 603 CB GLU A 40 -18.808 -3.327 -11.340 1.00 10.45 C ATOM 604 CG GLU A 40 -19.729 -2.346 -10.632 1.00 24.51 C ATOM 605 CD GLU A 40 -21.177 -2.497 -11.054 1.00 70.44 C ATOM 606 OE1 GLU A 40 -21.882 -3.343 -10.466 1.00 14.24 O ATOM 607 OE2 GLU A 40 -21.605 -1.769 -11.974 1.00 61.15 O ATOM 0 H GLU A 40 -18.464 -4.117 -8.992 1.00 72.21 H new ATOM 0 HA GLU A 40 -19.997 -5.113 -11.227 1.00 13.13 H new ATOM 0 HB2 GLU A 40 -17.773 -3.041 -11.152 1.00 10.45 H new ATOM 0 HB3 GLU A 40 -18.969 -3.252 -12.415 1.00 10.45 H new ATOM 0 HG2 GLU A 40 -19.651 -2.493 -9.555 1.00 24.51 H new ATOM 0 HG3 GLU A 40 -19.398 -1.328 -10.839 1.00 24.51 H new ATOM 614 N LEU A 41 -16.852 -5.885 -10.865 1.00 52.04 N ATOM 615 CA LEU A 41 -15.771 -6.717 -11.382 1.00 4.42 C ATOM 616 C LEU A 41 -16.240 -8.153 -11.590 1.00 40.12 C ATOM 617 O LEU A 41 -16.059 -8.726 -12.663 1.00 61.53 O ATOM 618 CB LEU A 41 -14.579 -6.691 -10.423 1.00 30.40 C ATOM 619 CG LEU A 41 -13.393 -7.579 -10.802 1.00 74.43 C ATOM 620 CD1 LEU A 41 -13.111 -7.485 -12.294 1.00 34.03 C ATOM 621 CD2 LEU A 41 -12.160 -7.194 -9.999 1.00 2.20 C ATOM 0 H LEU A 41 -16.678 -5.495 -9.939 1.00 52.04 H new ATOM 0 HA LEU A 41 -15.463 -6.312 -12.346 1.00 4.42 H new ATOM 0 HB2 LEU A 41 -14.226 -5.663 -10.342 1.00 30.40 H new ATOM 0 HB3 LEU A 41 -14.928 -6.987 -9.434 1.00 30.40 H new ATOM 0 HG LEU A 41 -13.647 -8.612 -10.566 1.00 74.43 H new ATOM 0 HD11 LEU A 41 -12.264 -8.123 -12.545 1.00 34.03 H new ATOM 0 HD12 LEU A 41 -13.989 -7.811 -12.851 1.00 34.03 H new ATOM 0 HD13 LEU A 41 -12.878 -6.453 -12.556 1.00 34.03 H new ATOM 0 HD21 LEU A 41 -11.326 -7.836 -10.282 1.00 2.20 H new ATOM 0 HD22 LEU A 41 -11.903 -6.155 -10.203 1.00 2.20 H new ATOM 0 HD23 LEU A 41 -12.366 -7.315 -8.935 1.00 2.20 H new ATOM 633 N GLY A 42 -16.846 -8.728 -10.556 1.00 14.01 N ATOM 634 CA GLY A 42 -17.335 -10.092 -10.647 1.00 4.43 C ATOM 635 C GLY A 42 -18.201 -10.317 -11.870 1.00 13.03 C ATOM 636 O GLY A 42 -18.300 -11.436 -12.373 1.00 31.44 O ATOM 0 H GLY A 42 -17.007 -8.274 -9.657 1.00 14.01 H new ATOM 0 HA2 GLY A 42 -16.488 -10.777 -10.674 1.00 4.43 H new ATOM 0 HA3 GLY A 42 -17.908 -10.330 -9.751 1.00 4.43 H new ATOM 640 N LYS A 43 -18.833 -9.251 -12.350 1.00 32.24 N ATOM 641 CA LYS A 43 -19.697 -9.336 -13.521 1.00 71.40 C ATOM 642 C LYS A 43 -18.878 -9.579 -14.785 1.00 21.23 C ATOM 643 O LYS A 43 -19.242 -10.403 -15.624 1.00 30.22 O ATOM 644 CB LYS A 43 -20.516 -8.052 -13.670 1.00 74.55 C ATOM 645 CG LYS A 43 -21.988 -8.228 -13.340 1.00 33.34 C ATOM 646 CD LYS A 43 -22.848 -7.203 -14.059 1.00 50.42 C ATOM 647 CE LYS A 43 -24.330 -7.461 -13.835 1.00 21.44 C ATOM 648 NZ LYS A 43 -24.763 -7.054 -12.469 1.00 74.23 N ATOM 0 H LYS A 43 -18.763 -8.317 -11.945 1.00 32.24 H new ATOM 0 HA LYS A 43 -20.375 -10.178 -13.381 1.00 71.40 H new ATOM 0 HB2 LYS A 43 -20.096 -7.285 -13.019 1.00 74.55 H new ATOM 0 HB3 LYS A 43 -20.423 -7.688 -14.693 1.00 74.55 H new ATOM 0 HG2 LYS A 43 -22.307 -9.232 -13.620 1.00 33.34 H new ATOM 0 HG3 LYS A 43 -22.134 -8.136 -12.264 1.00 33.34 H new ATOM 0 HD2 LYS A 43 -22.595 -6.203 -13.707 1.00 50.42 H new ATOM 0 HD3 LYS A 43 -22.631 -7.229 -15.127 1.00 50.42 H new ATOM 0 HE2 LYS A 43 -24.910 -6.914 -14.578 1.00 21.44 H new ATOM 0 HE3 LYS A 43 -24.541 -8.520 -13.982 1.00 21.44 H new ATOM 0 HZ1 LYS A 43 -25.779 -7.246 -12.355 1.00 74.23 H new ATOM 0 HZ2 LYS A 43 -24.227 -7.594 -11.760 1.00 74.23 H new ATOM 0 HZ3 LYS A 43 -24.586 -6.038 -12.337 1.00 74.23 H new ATOM 662 N VAL A 44 -17.769 -8.858 -14.913 1.00 50.45 N ATOM 663 CA VAL A 44 -16.897 -8.997 -16.074 1.00 2.35 C ATOM 664 C VAL A 44 -16.331 -10.409 -16.169 1.00 45.11 C ATOM 665 O VAL A 44 -16.002 -10.884 -17.256 1.00 23.35 O ATOM 666 CB VAL A 44 -15.732 -7.990 -16.024 1.00 22.43 C ATOM 667 CG1 VAL A 44 -14.514 -8.615 -15.360 1.00 32.41 C ATOM 668 CG2 VAL A 44 -15.393 -7.499 -17.423 1.00 1.43 C ATOM 0 H VAL A 44 -17.453 -8.172 -14.228 1.00 50.45 H new ATOM 0 HA VAL A 44 -17.506 -8.793 -16.955 1.00 2.35 H new ATOM 0 HB VAL A 44 -16.041 -7.132 -15.427 1.00 22.43 H new ATOM 0 HG11 VAL A 44 -13.701 -7.889 -15.334 1.00 32.41 H new ATOM 0 HG12 VAL A 44 -14.767 -8.913 -14.343 1.00 32.41 H new ATOM 0 HG13 VAL A 44 -14.200 -9.491 -15.927 1.00 32.41 H new ATOM 0 HG21 VAL A 44 -14.568 -6.789 -17.369 1.00 1.43 H new ATOM 0 HG22 VAL A 44 -15.103 -8.346 -18.045 1.00 1.43 H new ATOM 0 HG23 VAL A 44 -16.265 -7.011 -17.858 1.00 1.43 H new ATOM 678 N MET A 45 -16.220 -11.075 -15.024 1.00 41.13 N ATOM 679 CA MET A 45 -15.695 -12.435 -14.979 1.00 44.54 C ATOM 680 C MET A 45 -16.491 -13.356 -15.898 1.00 41.42 C ATOM 681 O MET A 45 -15.927 -14.230 -16.556 1.00 21.42 O ATOM 682 CB MET A 45 -15.729 -12.970 -13.547 1.00 21.23 C ATOM 683 CG MET A 45 -14.825 -12.208 -12.591 1.00 53.02 C ATOM 684 SD MET A 45 -13.275 -13.069 -12.265 1.00 61.14 S ATOM 685 CE MET A 45 -12.717 -13.404 -13.934 1.00 45.20 C ATOM 0 H MET A 45 -16.486 -10.695 -14.116 1.00 41.13 H new ATOM 0 HA MET A 45 -14.662 -12.411 -15.325 1.00 44.54 H new ATOM 0 HB2 MET A 45 -16.753 -12.928 -13.177 1.00 21.23 H new ATOM 0 HB3 MET A 45 -15.435 -14.020 -13.553 1.00 21.23 H new ATOM 0 HG2 MET A 45 -14.609 -11.224 -13.008 1.00 53.02 H new ATOM 0 HG3 MET A 45 -15.351 -12.047 -11.650 1.00 53.02 H new ATOM 0 HE1 MET A 45 -11.749 -13.903 -13.901 1.00 45.20 H new ATOM 0 HE2 MET A 45 -13.439 -14.047 -14.437 1.00 45.20 H new ATOM 0 HE3 MET A 45 -12.623 -12.466 -14.481 1.00 45.20 H new ATOM 695 N ARG A 46 -17.804 -13.153 -15.938 1.00 62.33 N ATOM 696 CA ARG A 46 -18.677 -13.967 -16.776 1.00 0.13 C ATOM 697 C ARG A 46 -18.279 -13.857 -18.245 1.00 1.54 C ATOM 698 O ARG A 46 -18.269 -14.850 -18.971 1.00 44.32 O ATOM 699 CB ARG A 46 -20.134 -13.538 -16.598 1.00 15.24 C ATOM 700 CG ARG A 46 -20.625 -13.628 -15.162 1.00 20.52 C ATOM 701 CD ARG A 46 -22.144 -13.609 -15.090 1.00 2.53 C ATOM 702 NE ARG A 46 -22.625 -13.510 -13.714 1.00 52.45 N ATOM 703 CZ ARG A 46 -23.909 -13.570 -13.379 1.00 52.32 C ATOM 704 NH1 ARG A 46 -24.835 -13.728 -14.315 1.00 33.04 N ATOM 705 NH2 ARG A 46 -24.269 -13.472 -12.106 1.00 1.03 N ATOM 0 H ARG A 46 -18.286 -12.433 -15.401 1.00 62.33 H new ATOM 0 HA ARG A 46 -18.570 -15.007 -16.466 1.00 0.13 H new ATOM 0 HB2 ARG A 46 -20.247 -12.512 -16.948 1.00 15.24 H new ATOM 0 HB3 ARG A 46 -20.767 -14.162 -17.229 1.00 15.24 H new ATOM 0 HG2 ARG A 46 -20.249 -14.543 -14.705 1.00 20.52 H new ATOM 0 HG3 ARG A 46 -20.222 -12.795 -14.586 1.00 20.52 H new ATOM 0 HD2 ARG A 46 -22.524 -12.767 -15.668 1.00 2.53 H new ATOM 0 HD3 ARG A 46 -22.540 -14.515 -15.548 1.00 2.53 H new ATOM 0 HE ARG A 46 -21.938 -13.388 -12.970 1.00 52.45 H new ATOM 0 HH11 ARG A 46 -24.562 -13.804 -15.295 1.00 33.04 H new ATOM 0 HH12 ARG A 46 -25.820 -13.774 -14.055 1.00 33.04 H new ATOM 0 HH21 ARG A 46 -23.560 -13.350 -11.383 1.00 1.03 H new ATOM 0 HH22 ARG A 46 -25.255 -13.518 -11.850 1.00 1.03 H new ATOM 719 N MET A 47 -17.952 -12.642 -18.674 1.00 55.02 N ATOM 720 CA MET A 47 -17.553 -12.402 -20.056 1.00 72.42 C ATOM 721 C MET A 47 -16.229 -13.094 -20.367 1.00 55.42 C ATOM 722 O MET A 47 -15.984 -13.506 -21.502 1.00 13.12 O ATOM 723 CB MET A 47 -17.432 -10.901 -20.321 1.00 53.55 C ATOM 724 CG MET A 47 -18.689 -10.119 -19.973 1.00 42.15 C ATOM 725 SD MET A 47 -18.660 -8.435 -20.618 1.00 20.03 S ATOM 726 CE MET A 47 -19.261 -8.700 -22.284 1.00 43.21 C ATOM 0 H MET A 47 -17.956 -11.809 -18.085 1.00 55.02 H new ATOM 0 HA MET A 47 -18.322 -12.817 -20.708 1.00 72.42 H new ATOM 0 HB2 MET A 47 -16.596 -10.505 -19.744 1.00 53.55 H new ATOM 0 HB3 MET A 47 -17.196 -10.744 -21.374 1.00 53.55 H new ATOM 0 HG2 MET A 47 -19.559 -10.641 -20.371 1.00 42.15 H new ATOM 0 HG3 MET A 47 -18.804 -10.087 -18.890 1.00 42.15 H new ATOM 0 HE1 MET A 47 -19.300 -7.748 -22.813 1.00 43.21 H new ATOM 0 HE2 MET A 47 -18.590 -9.379 -22.809 1.00 43.21 H new ATOM 0 HE3 MET A 47 -20.260 -9.135 -22.246 1.00 43.21 H new ATOM 736 N LEU A 48 -15.379 -13.217 -19.354 1.00 13.00 N ATOM 737 CA LEU A 48 -14.080 -13.858 -19.520 1.00 24.45 C ATOM 738 C LEU A 48 -14.234 -15.367 -19.680 1.00 64.50 C ATOM 739 O LEU A 48 -13.363 -16.035 -20.237 1.00 51.20 O ATOM 740 CB LEU A 48 -13.181 -13.551 -18.321 1.00 5.32 C ATOM 741 CG LEU A 48 -12.946 -12.070 -18.021 1.00 2.15 C ATOM 742 CD1 LEU A 48 -11.925 -11.907 -16.905 1.00 51.30 C ATOM 743 CD2 LEU A 48 -12.490 -11.337 -19.274 1.00 74.11 C ATOM 0 H LEU A 48 -15.566 -12.881 -18.409 1.00 13.00 H new ATOM 0 HA LEU A 48 -13.619 -13.460 -20.424 1.00 24.45 H new ATOM 0 HB2 LEU A 48 -13.617 -14.016 -17.437 1.00 5.32 H new ATOM 0 HB3 LEU A 48 -12.214 -14.026 -18.486 1.00 5.32 H new ATOM 0 HG LEU A 48 -13.888 -11.632 -17.691 1.00 2.15 H new ATOM 0 HD11 LEU A 48 -11.771 -10.847 -16.705 1.00 51.30 H new ATOM 0 HD12 LEU A 48 -12.291 -12.397 -16.003 1.00 51.30 H new ATOM 0 HD13 LEU A 48 -10.981 -12.361 -17.206 1.00 51.30 H new ATOM 0 HD21 LEU A 48 -12.328 -10.285 -19.041 1.00 74.11 H new ATOM 0 HD22 LEU A 48 -11.560 -11.776 -19.634 1.00 74.11 H new ATOM 0 HD23 LEU A 48 -13.255 -11.424 -20.045 1.00 74.11 H new ATOM 755 N GLY A 49 -15.349 -15.899 -19.189 1.00 53.03 N ATOM 756 CA GLY A 49 -15.598 -17.325 -19.290 1.00 32.11 C ATOM 757 C GLY A 49 -15.613 -18.008 -17.937 1.00 23.12 C ATOM 758 O GLY A 49 -15.607 -19.236 -17.855 1.00 3.02 O ATOM 0 H GLY A 49 -16.084 -15.368 -18.723 1.00 53.03 H new ATOM 0 HA2 GLY A 49 -16.554 -17.489 -19.787 1.00 32.11 H new ATOM 0 HA3 GLY A 49 -14.831 -17.781 -19.915 1.00 32.11 H new ATOM 762 N GLN A 50 -15.630 -17.211 -16.873 1.00 52.14 N ATOM 763 CA GLN A 50 -15.643 -17.747 -15.518 1.00 1.05 C ATOM 764 C GLN A 50 -16.692 -17.043 -14.664 1.00 12.24 C ATOM 765 O GLN A 50 -17.094 -15.918 -14.959 1.00 73.53 O ATOM 766 CB GLN A 50 -14.263 -17.599 -14.875 1.00 64.31 C ATOM 767 CG GLN A 50 -13.227 -18.564 -15.430 1.00 30.13 C ATOM 768 CD GLN A 50 -11.925 -18.532 -14.654 1.00 31.32 C ATOM 769 OE1 GLN A 50 -11.426 -19.568 -14.214 1.00 21.35 O ATOM 770 NE2 GLN A 50 -11.367 -17.340 -14.482 1.00 40.30 N ATOM 0 H GLN A 50 -15.635 -16.192 -16.924 1.00 52.14 H new ATOM 0 HA GLN A 50 -15.898 -18.805 -15.576 1.00 1.05 H new ATOM 0 HB2 GLN A 50 -13.911 -16.578 -15.021 1.00 64.31 H new ATOM 0 HB3 GLN A 50 -14.354 -17.755 -13.800 1.00 64.31 H new ATOM 0 HG2 GLN A 50 -13.632 -19.576 -15.411 1.00 30.13 H new ATOM 0 HG3 GLN A 50 -13.030 -18.319 -16.474 1.00 30.13 H new ATOM 0 HE21 GLN A 50 -11.815 -16.507 -14.864 1.00 40.30 H new ATOM 0 HE22 GLN A 50 -10.490 -17.257 -13.968 1.00 40.30 H new ATOM 779 N ASN A 51 -17.132 -17.713 -13.603 1.00 42.22 N ATOM 780 CA ASN A 51 -18.136 -17.151 -12.707 1.00 24.24 C ATOM 781 C ASN A 51 -17.819 -17.493 -11.254 1.00 34.03 C ATOM 782 O ASN A 51 -18.547 -18.234 -10.592 1.00 4.01 O ATOM 783 CB ASN A 51 -19.526 -17.673 -13.074 1.00 14.42 C ATOM 784 CG ASN A 51 -19.537 -19.169 -13.319 1.00 64.04 C ATOM 785 OD1 ASN A 51 -19.809 -19.563 -14.558 1.00 44.22 O flip ATOM 786 ND2 ASN A 51 -19.303 -19.961 -12.406 1.00 24.30 N flip ATOM 0 H ASN A 51 -16.809 -18.645 -13.343 1.00 42.22 H new ATOM 0 HA ASN A 51 -18.122 -16.067 -12.819 1.00 24.24 H new ATOM 0 HB2 ASN A 51 -20.224 -17.434 -12.272 1.00 14.42 H new ATOM 0 HB3 ASN A 51 -19.880 -17.159 -13.968 1.00 14.42 H new ATOM 0 HD21 ASN A 51 -19.099 -19.613 -11.469 1.00 24.30 H new ATOM 0 HD22 ASN A 51 -19.313 -20.965 -12.587 1.00 24.30 H new ATOM 793 N PRO A 52 -16.709 -16.940 -10.744 1.00 65.51 N ATOM 794 CA PRO A 52 -16.271 -17.171 -9.364 1.00 61.32 C ATOM 795 C PRO A 52 -17.188 -16.503 -8.346 1.00 32.23 C ATOM 796 O PRO A 52 -18.282 -16.048 -8.683 1.00 62.42 O ATOM 797 CB PRO A 52 -14.877 -16.540 -9.324 1.00 11.42 C ATOM 798 CG PRO A 52 -14.899 -15.506 -10.396 1.00 45.22 C ATOM 799 CD PRO A 52 -15.794 -16.047 -11.476 1.00 34.33 C ATOM 0 HA PRO A 52 -16.282 -18.230 -9.104 1.00 61.32 H new ATOM 0 HB2 PRO A 52 -14.671 -16.096 -8.350 1.00 11.42 H new ATOM 0 HB3 PRO A 52 -14.101 -17.283 -9.506 1.00 11.42 H new ATOM 0 HG2 PRO A 52 -15.277 -14.557 -10.015 1.00 45.22 H new ATOM 0 HG3 PRO A 52 -13.896 -15.319 -10.778 1.00 45.22 H new ATOM 0 HD2 PRO A 52 -16.334 -15.250 -11.988 1.00 34.33 H new ATOM 0 HD3 PRO A 52 -15.227 -16.586 -12.235 1.00 34.33 H new ATOM 807 N THR A 53 -16.736 -16.446 -7.097 1.00 33.33 N ATOM 808 CA THR A 53 -17.517 -15.834 -6.029 1.00 23.43 C ATOM 809 C THR A 53 -17.041 -14.415 -5.744 1.00 44.40 C ATOM 810 O THR A 53 -15.896 -14.051 -6.017 1.00 34.20 O ATOM 811 CB THR A 53 -17.437 -16.660 -4.731 1.00 32.32 C ATOM 812 OG1 THR A 53 -18.755 -16.916 -4.231 1.00 44.51 O ATOM 813 CG2 THR A 53 -16.621 -15.931 -3.674 1.00 51.24 C ATOM 0 H THR A 53 -15.833 -16.816 -6.800 1.00 33.33 H new ATOM 0 HA THR A 53 -18.552 -15.806 -6.370 1.00 23.43 H new ATOM 0 HB THR A 53 -16.945 -17.606 -4.958 1.00 32.32 H new ATOM 0 HG1 THR A 53 -18.696 -17.443 -3.407 1.00 44.51 H new ATOM 0 HG21 THR A 53 -16.579 -16.534 -2.767 1.00 51.24 H new ATOM 0 HG22 THR A 53 -15.610 -15.764 -4.046 1.00 51.24 H new ATOM 0 HG23 THR A 53 -17.089 -14.972 -3.451 1.00 51.24 H new ATOM 821 N PRO A 54 -17.937 -13.591 -5.182 1.00 11.45 N ATOM 822 CA PRO A 54 -17.630 -12.197 -4.846 1.00 52.12 C ATOM 823 C PRO A 54 -16.650 -12.083 -3.684 1.00 1.31 C ATOM 824 O PRO A 54 -15.664 -11.351 -3.762 1.00 63.12 O ATOM 825 CB PRO A 54 -18.992 -11.618 -4.456 1.00 13.22 C ATOM 826 CG PRO A 54 -19.787 -12.793 -3.999 1.00 44.51 C ATOM 827 CD PRO A 54 -19.319 -13.956 -4.829 1.00 33.21 C ATOM 0 HA PRO A 54 -17.151 -11.674 -5.674 1.00 52.12 H new ATOM 0 HB2 PRO A 54 -18.894 -10.874 -3.665 1.00 13.22 H new ATOM 0 HB3 PRO A 54 -19.468 -11.123 -5.302 1.00 13.22 H new ATOM 0 HG2 PRO A 54 -19.629 -12.982 -2.937 1.00 44.51 H new ATOM 0 HG3 PRO A 54 -20.854 -12.620 -4.136 1.00 44.51 H new ATOM 0 HD2 PRO A 54 -19.357 -14.890 -4.269 1.00 33.21 H new ATOM 0 HD3 PRO A 54 -19.938 -14.091 -5.716 1.00 33.21 H new ATOM 835 N GLU A 55 -16.928 -12.811 -2.607 1.00 52.01 N ATOM 836 CA GLU A 55 -16.070 -12.790 -1.429 1.00 3.24 C ATOM 837 C GLU A 55 -14.607 -12.989 -1.817 1.00 75.00 C ATOM 838 O GLU A 55 -13.702 -12.530 -1.121 1.00 73.03 O ATOM 839 CB GLU A 55 -16.498 -13.875 -0.439 1.00 12.25 C ATOM 840 CG GLU A 55 -17.932 -13.729 0.041 1.00 15.23 C ATOM 841 CD GLU A 55 -18.216 -14.544 1.288 1.00 14.11 C ATOM 842 OE1 GLU A 55 -17.274 -14.770 2.076 1.00 42.41 O ATOM 843 OE2 GLU A 55 -19.380 -14.956 1.476 1.00 61.20 O ATOM 0 H GLU A 55 -17.741 -13.422 -2.526 1.00 52.01 H new ATOM 0 HA GLU A 55 -16.173 -11.814 -0.954 1.00 3.24 H new ATOM 0 HB2 GLU A 55 -16.379 -14.851 -0.909 1.00 12.25 H new ATOM 0 HB3 GLU A 55 -15.831 -13.852 0.423 1.00 12.25 H new ATOM 0 HG2 GLU A 55 -18.138 -12.678 0.244 1.00 15.23 H new ATOM 0 HG3 GLU A 55 -18.611 -14.039 -0.754 1.00 15.23 H new ATOM 850 N GLU A 56 -14.386 -13.677 -2.933 1.00 31.44 N ATOM 851 CA GLU A 56 -13.034 -13.939 -3.413 1.00 12.44 C ATOM 852 C GLU A 56 -12.391 -12.663 -3.948 1.00 50.34 C ATOM 853 O GLU A 56 -11.270 -12.314 -3.574 1.00 72.44 O ATOM 854 CB GLU A 56 -13.055 -15.010 -4.505 1.00 10.20 C ATOM 855 CG GLU A 56 -12.745 -16.407 -3.994 1.00 2.43 C ATOM 856 CD GLU A 56 -13.762 -16.897 -2.981 1.00 41.45 C ATOM 857 OE1 GLU A 56 -13.867 -16.281 -1.900 1.00 74.40 O ATOM 858 OE2 GLU A 56 -14.453 -17.896 -3.272 1.00 2.24 O ATOM 0 H GLU A 56 -15.125 -14.063 -3.521 1.00 31.44 H new ATOM 0 HA GLU A 56 -12.441 -14.300 -2.573 1.00 12.44 H new ATOM 0 HB2 GLU A 56 -14.037 -15.015 -4.978 1.00 10.20 H new ATOM 0 HB3 GLU A 56 -12.331 -14.745 -5.276 1.00 10.20 H new ATOM 0 HG2 GLU A 56 -12.714 -17.099 -4.836 1.00 2.43 H new ATOM 0 HG3 GLU A 56 -11.754 -16.412 -3.540 1.00 2.43 H new ATOM 865 N LEU A 57 -13.108 -11.970 -4.827 1.00 4.14 N ATOM 866 CA LEU A 57 -12.608 -10.732 -5.415 1.00 61.23 C ATOM 867 C LEU A 57 -12.229 -9.728 -4.332 1.00 2.04 C ATOM 868 O LEU A 57 -11.099 -9.241 -4.292 1.00 32.44 O ATOM 869 CB LEU A 57 -13.661 -10.125 -6.344 1.00 2.42 C ATOM 870 CG LEU A 57 -14.303 -11.082 -7.348 1.00 31.30 C ATOM 871 CD1 LEU A 57 -15.421 -10.387 -8.109 1.00 14.13 C ATOM 872 CD2 LEU A 57 -13.257 -11.625 -8.311 1.00 55.02 C ATOM 0 H LEU A 57 -14.037 -12.244 -5.148 1.00 4.14 H new ATOM 0 HA LEU A 57 -11.714 -10.968 -5.993 1.00 61.23 H new ATOM 0 HB2 LEU A 57 -14.451 -9.691 -5.731 1.00 2.42 H new ATOM 0 HB3 LEU A 57 -13.200 -9.306 -6.897 1.00 2.42 H new ATOM 0 HG LEU A 57 -14.732 -11.920 -6.799 1.00 31.30 H new ATOM 0 HD11 LEU A 57 -15.866 -11.084 -8.819 1.00 14.13 H new ATOM 0 HD12 LEU A 57 -16.183 -10.048 -7.407 1.00 14.13 H new ATOM 0 HD13 LEU A 57 -15.017 -9.530 -8.647 1.00 14.13 H new ATOM 0 HD21 LEU A 57 -13.732 -12.305 -9.019 1.00 55.02 H new ATOM 0 HD22 LEU A 57 -12.798 -10.799 -8.854 1.00 55.02 H new ATOM 0 HD23 LEU A 57 -12.491 -12.161 -7.751 1.00 55.02 H new ATOM 884 N GLN A 58 -13.180 -9.425 -3.454 1.00 40.21 N ATOM 885 CA GLN A 58 -12.944 -8.480 -2.369 1.00 54.30 C ATOM 886 C GLN A 58 -11.777 -8.931 -1.497 1.00 72.45 C ATOM 887 O GLN A 58 -11.121 -8.115 -0.852 1.00 31.14 O ATOM 888 CB GLN A 58 -14.204 -8.327 -1.515 1.00 54.43 C ATOM 889 CG GLN A 58 -13.967 -7.588 -0.208 1.00 14.01 C ATOM 890 CD GLN A 58 -13.521 -6.155 -0.420 1.00 11.21 C ATOM 891 OE1 GLN A 58 -14.235 -5.353 -1.024 1.00 24.05 O ATOM 892 NE2 GLN A 58 -12.335 -5.824 0.077 1.00 61.20 N ATOM 0 H GLN A 58 -14.120 -9.820 -3.473 1.00 40.21 H new ATOM 0 HA GLN A 58 -12.692 -7.516 -2.810 1.00 54.30 H new ATOM 0 HB2 GLN A 58 -14.961 -7.795 -2.091 1.00 54.43 H new ATOM 0 HB3 GLN A 58 -14.607 -9.316 -1.296 1.00 54.43 H new ATOM 0 HG2 GLN A 58 -14.884 -7.596 0.381 1.00 14.01 H new ATOM 0 HG3 GLN A 58 -13.211 -8.117 0.372 1.00 14.01 H new ATOM 0 HE21 GLN A 58 -11.776 -6.520 0.571 1.00 61.20 H new ATOM 0 HE22 GLN A 58 -11.983 -4.873 -0.035 1.00 61.20 H new ATOM 901 N GLU A 59 -11.525 -10.237 -1.485 1.00 0.44 N ATOM 902 CA GLU A 59 -10.437 -10.796 -0.691 1.00 12.12 C ATOM 903 C GLU A 59 -9.094 -10.217 -1.125 1.00 4.25 C ATOM 904 O GLU A 59 -8.347 -9.676 -0.309 1.00 41.15 O ATOM 905 CB GLU A 59 -10.413 -12.320 -0.820 1.00 74.40 C ATOM 906 CG GLU A 59 -9.888 -13.028 0.418 1.00 42.04 C ATOM 907 CD GLU A 59 -10.705 -12.720 1.657 1.00 32.01 C ATOM 908 OE1 GLU A 59 -11.854 -13.203 1.745 1.00 64.32 O ATOM 909 OE2 GLU A 59 -10.197 -11.996 2.539 1.00 74.23 O ATOM 0 H GLU A 59 -12.059 -10.926 -2.015 1.00 0.44 H new ATOM 0 HA GLU A 59 -10.608 -10.529 0.352 1.00 12.12 H new ATOM 0 HB2 GLU A 59 -11.422 -12.674 -1.030 1.00 74.40 H new ATOM 0 HB3 GLU A 59 -9.794 -12.594 -1.675 1.00 74.40 H new ATOM 0 HG2 GLU A 59 -9.890 -14.104 0.245 1.00 42.04 H new ATOM 0 HG3 GLU A 59 -8.852 -12.734 0.588 1.00 42.04 H new ATOM 916 N MET A 60 -8.793 -10.335 -2.414 1.00 33.33 N ATOM 917 CA MET A 60 -7.540 -9.823 -2.956 1.00 73.24 C ATOM 918 C MET A 60 -7.534 -8.298 -2.964 1.00 12.12 C ATOM 919 O MET A 60 -6.497 -7.671 -2.745 1.00 61.34 O ATOM 920 CB MET A 60 -7.320 -10.353 -4.375 1.00 2.33 C ATOM 921 CG MET A 60 -7.072 -11.851 -4.432 1.00 63.31 C ATOM 922 SD MET A 60 -6.441 -12.390 -6.033 1.00 71.11 S ATOM 923 CE MET A 60 -5.218 -13.597 -5.527 1.00 12.24 C ATOM 0 H MET A 60 -9.400 -10.781 -3.102 1.00 33.33 H new ATOM 0 HA MET A 60 -6.728 -10.168 -2.316 1.00 73.24 H new ATOM 0 HB2 MET A 60 -8.193 -10.114 -4.983 1.00 2.33 H new ATOM 0 HB3 MET A 60 -6.470 -9.835 -4.820 1.00 2.33 H new ATOM 0 HG2 MET A 60 -6.361 -12.127 -3.654 1.00 63.31 H new ATOM 0 HG3 MET A 60 -8.002 -12.378 -4.216 1.00 63.31 H new ATOM 0 HE1 MET A 60 -4.739 -14.021 -6.409 1.00 12.24 H new ATOM 0 HE2 MET A 60 -4.466 -13.114 -4.903 1.00 12.24 H new ATOM 0 HE3 MET A 60 -5.704 -14.392 -4.960 1.00 12.24 H new ATOM 933 N ILE A 61 -8.697 -7.707 -3.217 1.00 32.34 N ATOM 934 CA ILE A 61 -8.825 -6.256 -3.251 1.00 44.45 C ATOM 935 C ILE A 61 -8.565 -5.648 -1.877 1.00 44.24 C ATOM 936 O ILE A 61 -8.203 -4.477 -1.764 1.00 5.43 O ATOM 937 CB ILE A 61 -10.222 -5.825 -3.735 1.00 42.41 C ATOM 938 CG1 ILE A 61 -10.434 -6.246 -5.191 1.00 12.15 C ATOM 939 CG2 ILE A 61 -10.394 -4.321 -3.583 1.00 14.33 C ATOM 940 CD1 ILE A 61 -11.800 -5.884 -5.731 1.00 43.13 C ATOM 0 H ILE A 61 -9.564 -8.211 -3.401 1.00 32.34 H new ATOM 0 HA ILE A 61 -8.077 -5.890 -3.954 1.00 44.45 H new ATOM 0 HB ILE A 61 -10.973 -6.321 -3.120 1.00 42.41 H new ATOM 0 HG12 ILE A 61 -9.671 -5.777 -5.811 1.00 12.15 H new ATOM 0 HG13 ILE A 61 -10.293 -7.324 -5.273 1.00 12.15 H new ATOM 0 HG21 ILE A 61 -11.386 -4.031 -3.929 1.00 14.33 H new ATOM 0 HG22 ILE A 61 -10.281 -4.046 -2.534 1.00 14.33 H new ATOM 0 HG23 ILE A 61 -9.638 -3.807 -4.176 1.00 14.33 H new ATOM 0 HD11 ILE A 61 -11.880 -6.212 -6.767 1.00 43.13 H new ATOM 0 HD12 ILE A 61 -12.569 -6.375 -5.134 1.00 43.13 H new ATOM 0 HD13 ILE A 61 -11.937 -4.804 -5.681 1.00 43.13 H new ATOM 952 N ASP A 62 -8.750 -6.452 -0.836 1.00 41.13 N ATOM 953 CA ASP A 62 -8.533 -5.994 0.531 1.00 23.53 C ATOM 954 C ASP A 62 -7.058 -5.687 0.774 1.00 73.22 C ATOM 955 O ASP A 62 -6.710 -4.607 1.250 1.00 33.53 O ATOM 956 CB ASP A 62 -9.017 -7.049 1.527 1.00 32.14 C ATOM 957 CG ASP A 62 -9.191 -6.489 2.925 1.00 10.53 C ATOM 958 OD1 ASP A 62 -9.621 -5.323 3.047 1.00 12.22 O ATOM 959 OD2 ASP A 62 -8.896 -7.215 3.897 1.00 31.33 O ATOM 0 H ASP A 62 -9.050 -7.424 -0.913 1.00 41.13 H new ATOM 0 HA ASP A 62 -9.105 -5.078 0.676 1.00 23.53 H new ATOM 0 HB2 ASP A 62 -9.966 -7.461 1.183 1.00 32.14 H new ATOM 0 HB3 ASP A 62 -8.303 -7.873 1.555 1.00 32.14 H new ATOM 964 N GLU A 63 -6.197 -6.645 0.443 1.00 12.42 N ATOM 965 CA GLU A 63 -4.761 -6.476 0.627 1.00 4.14 C ATOM 966 C GLU A 63 -4.196 -5.481 -0.382 1.00 42.41 C ATOM 967 O GLU A 63 -3.138 -4.890 -0.163 1.00 52.23 O ATOM 968 CB GLU A 63 -4.045 -7.821 0.489 1.00 63.11 C ATOM 969 CG GLU A 63 -3.363 -8.282 1.766 1.00 32.23 C ATOM 970 CD GLU A 63 -3.386 -9.790 1.928 1.00 44.21 C ATOM 971 OE1 GLU A 63 -2.601 -10.472 1.235 1.00 12.35 O ATOM 972 OE2 GLU A 63 -4.187 -10.288 2.746 1.00 41.40 O ATOM 0 H GLU A 63 -6.469 -7.545 0.047 1.00 12.42 H new ATOM 0 HA GLU A 63 -4.593 -6.084 1.630 1.00 4.14 H new ATOM 0 HB2 GLU A 63 -4.767 -8.577 0.179 1.00 63.11 H new ATOM 0 HB3 GLU A 63 -3.301 -7.747 -0.304 1.00 63.11 H new ATOM 0 HG2 GLU A 63 -2.329 -7.936 1.767 1.00 32.23 H new ATOM 0 HG3 GLU A 63 -3.854 -7.821 2.623 1.00 32.23 H new ATOM 979 N VAL A 64 -4.909 -5.300 -1.489 1.00 71.53 N ATOM 980 CA VAL A 64 -4.481 -4.377 -2.533 1.00 4.00 C ATOM 981 C VAL A 64 -4.848 -2.940 -2.180 1.00 23.01 C ATOM 982 O VAL A 64 -3.999 -2.048 -2.204 1.00 34.04 O ATOM 983 CB VAL A 64 -5.108 -4.736 -3.893 1.00 33.32 C ATOM 984 CG1 VAL A 64 -4.755 -3.689 -4.938 1.00 14.34 C ATOM 985 CG2 VAL A 64 -4.657 -6.119 -4.339 1.00 12.03 C ATOM 0 H VAL A 64 -5.787 -5.781 -1.686 1.00 71.53 H new ATOM 0 HA VAL A 64 -3.397 -4.465 -2.607 1.00 4.00 H new ATOM 0 HB VAL A 64 -6.192 -4.751 -3.780 1.00 33.32 H new ATOM 0 HG11 VAL A 64 -5.207 -3.960 -5.892 1.00 14.34 H new ATOM 0 HG12 VAL A 64 -5.132 -2.717 -4.621 1.00 14.34 H new ATOM 0 HG13 VAL A 64 -3.672 -3.638 -5.051 1.00 14.34 H new ATOM 0 HG21 VAL A 64 -5.110 -6.356 -5.302 1.00 12.03 H new ATOM 0 HG22 VAL A 64 -3.571 -6.134 -4.435 1.00 12.03 H new ATOM 0 HG23 VAL A 64 -4.967 -6.858 -3.600 1.00 12.03 H new ATOM 995 N ASP A 65 -6.117 -2.723 -1.852 1.00 64.03 N ATOM 996 CA ASP A 65 -6.597 -1.394 -1.492 1.00 42.13 C ATOM 997 C ASP A 65 -5.915 -0.895 -0.222 1.00 63.32 C ATOM 998 O ASP A 65 -6.346 -1.205 0.888 1.00 74.25 O ATOM 999 CB ASP A 65 -8.114 -1.412 -1.298 1.00 42.30 C ATOM 1000 CG ASP A 65 -8.765 -0.106 -1.708 1.00 13.41 C ATOM 1001 OD1 ASP A 65 -8.118 0.952 -1.561 1.00 40.42 O ATOM 1002 OD2 ASP A 65 -9.922 -0.142 -2.176 1.00 53.41 O ATOM 0 H ASP A 65 -6.832 -3.450 -1.828 1.00 64.03 H new ATOM 0 HA ASP A 65 -6.351 -0.713 -2.306 1.00 42.13 H new ATOM 0 HB2 ASP A 65 -8.542 -2.227 -1.881 1.00 42.30 H new ATOM 0 HB3 ASP A 65 -8.341 -1.615 -0.251 1.00 42.30 H new ATOM 1007 N GLU A 66 -4.847 -0.122 -0.394 1.00 62.34 N ATOM 1008 CA GLU A 66 -4.104 0.417 0.739 1.00 54.12 C ATOM 1009 C GLU A 66 -4.927 1.469 1.477 1.00 50.30 C ATOM 1010 O GLU A 66 -4.691 1.744 2.654 1.00 41.14 O ATOM 1011 CB GLU A 66 -2.782 1.026 0.267 1.00 32.04 C ATOM 1012 CG GLU A 66 -1.906 0.055 -0.506 1.00 31.44 C ATOM 1013 CD GLU A 66 -1.136 0.728 -1.625 1.00 24.32 C ATOM 1014 OE1 GLU A 66 -1.017 1.971 -1.598 1.00 70.35 O ATOM 1015 OE2 GLU A 66 -0.652 0.012 -2.526 1.00 44.35 O ATOM 0 H GLU A 66 -4.477 0.145 -1.306 1.00 62.34 H new ATOM 0 HA GLU A 66 -3.893 -0.402 1.426 1.00 54.12 H new ATOM 0 HB2 GLU A 66 -2.994 1.891 -0.362 1.00 32.04 H new ATOM 0 HB3 GLU A 66 -2.230 1.390 1.133 1.00 32.04 H new ATOM 0 HG2 GLU A 66 -1.203 -0.419 0.179 1.00 31.44 H new ATOM 0 HG3 GLU A 66 -2.528 -0.737 -0.923 1.00 31.44 H new ATOM 1022 N ASP A 67 -5.893 2.055 0.777 1.00 24.52 N ATOM 1023 CA ASP A 67 -6.751 3.076 1.365 1.00 52.30 C ATOM 1024 C ASP A 67 -8.066 2.471 1.845 1.00 75.51 C ATOM 1025 O ASP A 67 -8.866 3.137 2.501 1.00 24.14 O ATOM 1026 CB ASP A 67 -7.027 4.187 0.350 1.00 71.41 C ATOM 1027 CG ASP A 67 -7.335 3.644 -1.032 1.00 43.40 C ATOM 1028 OD1 ASP A 67 -6.390 3.205 -1.720 1.00 72.41 O ATOM 1029 OD2 ASP A 67 -8.520 3.661 -1.426 1.00 20.41 O ATOM 0 H ASP A 67 -6.101 1.840 -0.198 1.00 24.52 H new ATOM 0 HA ASP A 67 -6.232 3.500 2.225 1.00 52.30 H new ATOM 0 HB2 ASP A 67 -7.866 4.791 0.695 1.00 71.41 H new ATOM 0 HB3 ASP A 67 -6.161 4.847 0.293 1.00 71.41 H new ATOM 1034 N GLY A 68 -8.285 1.202 1.511 1.00 2.03 N ATOM 1035 CA GLY A 68 -9.505 0.528 1.915 1.00 1.24 C ATOM 1036 C GLY A 68 -10.750 1.240 1.425 1.00 71.35 C ATOM 1037 O GLY A 68 -11.734 1.358 2.154 1.00 32.15 O ATOM 0 H GLY A 68 -7.639 0.629 0.968 1.00 2.03 H new ATOM 0 HA2 GLY A 68 -9.498 -0.492 1.530 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -9.535 0.458 3.002 1.00 1.24 H new ATOM 1041 N SER A 69 -10.707 1.717 0.185 1.00 73.34 N ATOM 1042 CA SER A 69 -11.839 2.426 -0.401 1.00 61.31 C ATOM 1043 C SER A 69 -12.931 1.449 -0.825 1.00 73.15 C ATOM 1044 O SER A 69 -14.114 1.786 -0.828 1.00 35.01 O ATOM 1045 CB SER A 69 -11.382 3.252 -1.605 1.00 13.21 C ATOM 1046 OG SER A 69 -10.607 2.470 -2.496 1.00 60.43 O ATOM 0 H SER A 69 -9.901 1.625 -0.433 1.00 73.34 H new ATOM 0 HA SER A 69 -12.248 3.095 0.356 1.00 61.31 H new ATOM 0 HB2 SER A 69 -12.252 3.650 -2.128 1.00 13.21 H new ATOM 0 HB3 SER A 69 -10.797 4.106 -1.263 1.00 13.21 H new ATOM 0 HG SER A 69 -9.655 2.613 -2.313 1.00 60.43 H new ATOM 1052 N GLY A 70 -12.524 0.235 -1.184 1.00 73.15 N ATOM 1053 CA GLY A 70 -13.479 -0.773 -1.606 1.00 74.11 C ATOM 1054 C GLY A 70 -13.528 -0.932 -3.113 1.00 4.12 C ATOM 1055 O GLY A 70 -14.432 -1.573 -3.649 1.00 51.01 O ATOM 0 H GLY A 70 -11.550 -0.068 -1.190 1.00 73.15 H new ATOM 0 HA2 GLY A 70 -13.218 -1.729 -1.151 1.00 74.11 H new ATOM 0 HA3 GLY A 70 -14.470 -0.506 -1.240 1.00 74.11 H new ATOM 1059 N THR A 71 -12.552 -0.345 -3.800 1.00 33.12 N ATOM 1060 CA THR A 71 -12.489 -0.422 -5.254 1.00 5.32 C ATOM 1061 C THR A 71 -11.048 -0.344 -5.746 1.00 22.12 C ATOM 1062 O THR A 71 -10.160 0.117 -5.028 1.00 71.23 O ATOM 1063 CB THR A 71 -13.305 0.706 -5.912 1.00 53.21 C ATOM 1064 OG1 THR A 71 -12.784 1.981 -5.521 1.00 1.10 O ATOM 1065 CG2 THR A 71 -14.772 0.611 -5.521 1.00 54.01 C ATOM 0 H THR A 71 -11.795 0.189 -3.372 1.00 33.12 H new ATOM 0 HA THR A 71 -12.917 -1.383 -5.539 1.00 5.32 H new ATOM 0 HB THR A 71 -13.225 0.598 -6.994 1.00 53.21 H new ATOM 0 HG1 THR A 71 -13.308 2.692 -5.945 1.00 1.10 H new ATOM 0 HG21 THR A 71 -15.329 1.418 -5.998 1.00 54.01 H new ATOM 0 HG22 THR A 71 -15.174 -0.349 -5.846 1.00 54.01 H new ATOM 0 HG23 THR A 71 -14.866 0.695 -4.438 1.00 54.01 H new ATOM 1073 N VAL A 72 -10.822 -0.797 -6.975 1.00 21.41 N ATOM 1074 CA VAL A 72 -9.488 -0.777 -7.564 1.00 33.41 C ATOM 1075 C VAL A 72 -9.314 0.421 -8.490 1.00 14.33 C ATOM 1076 O VAL A 72 -10.109 0.631 -9.407 1.00 23.22 O ATOM 1077 CB VAL A 72 -9.205 -2.068 -8.355 1.00 25.34 C ATOM 1078 CG1 VAL A 72 -8.054 -1.857 -9.327 1.00 22.33 C ATOM 1079 CG2 VAL A 72 -8.907 -3.219 -7.406 1.00 33.54 C ATOM 0 H VAL A 72 -11.545 -1.182 -7.582 1.00 21.41 H new ATOM 0 HA VAL A 72 -8.779 -0.701 -6.740 1.00 33.41 H new ATOM 0 HB VAL A 72 -10.094 -2.323 -8.932 1.00 25.34 H new ATOM 0 HG11 VAL A 72 -7.868 -2.780 -9.877 1.00 22.33 H new ATOM 0 HG12 VAL A 72 -8.310 -1.062 -10.028 1.00 22.33 H new ATOM 0 HG13 VAL A 72 -7.157 -1.578 -8.774 1.00 22.33 H new ATOM 0 HG21 VAL A 72 -8.709 -4.123 -7.982 1.00 33.54 H new ATOM 0 HG22 VAL A 72 -8.033 -2.975 -6.802 1.00 33.54 H new ATOM 0 HG23 VAL A 72 -9.765 -3.384 -6.754 1.00 33.54 H new ATOM 1089 N ASP A 73 -8.270 1.205 -8.244 1.00 33.01 N ATOM 1090 CA ASP A 73 -7.990 2.383 -9.057 1.00 14.04 C ATOM 1091 C ASP A 73 -6.920 2.081 -10.101 1.00 75.22 C ATOM 1092 O ASP A 73 -6.458 0.946 -10.221 1.00 75.15 O ATOM 1093 CB ASP A 73 -7.541 3.546 -8.170 1.00 72.41 C ATOM 1094 CG ASP A 73 -8.639 4.021 -7.238 1.00 63.24 C ATOM 1095 OD1 ASP A 73 -9.223 3.175 -6.530 1.00 25.32 O ATOM 1096 OD2 ASP A 73 -8.914 5.239 -7.219 1.00 35.14 O ATOM 0 H ASP A 73 -7.604 1.046 -7.488 1.00 33.01 H new ATOM 0 HA ASP A 73 -8.908 2.664 -9.574 1.00 14.04 H new ATOM 0 HB2 ASP A 73 -6.677 3.238 -7.581 1.00 72.41 H new ATOM 0 HB3 ASP A 73 -7.218 4.376 -8.799 1.00 72.41 H new ATOM 1101 N PHE A 74 -6.532 3.103 -10.855 1.00 44.45 N ATOM 1102 CA PHE A 74 -5.518 2.947 -11.892 1.00 25.13 C ATOM 1103 C PHE A 74 -4.198 2.469 -11.293 1.00 62.23 C ATOM 1104 O PHE A 74 -3.472 1.687 -11.908 1.00 40.44 O ATOM 1105 CB PHE A 74 -5.306 4.269 -12.631 1.00 44.54 C ATOM 1106 CG PHE A 74 -4.231 4.205 -13.678 1.00 44.14 C ATOM 1107 CD1 PHE A 74 -4.017 3.042 -14.401 1.00 15.21 C ATOM 1108 CD2 PHE A 74 -3.433 5.307 -13.940 1.00 2.43 C ATOM 1109 CE1 PHE A 74 -3.029 2.980 -15.365 1.00 73.34 C ATOM 1110 CE2 PHE A 74 -2.444 5.251 -14.903 1.00 65.02 C ATOM 1111 CZ PHE A 74 -2.241 4.085 -15.616 1.00 3.40 C ATOM 0 H PHE A 74 -6.904 4.049 -10.768 1.00 44.45 H new ATOM 0 HA PHE A 74 -5.870 2.196 -12.599 1.00 25.13 H new ATOM 0 HB2 PHE A 74 -6.243 4.567 -13.101 1.00 44.54 H new ATOM 0 HB3 PHE A 74 -5.052 5.044 -11.908 1.00 44.54 H new ATOM 0 HD1 PHE A 74 -4.630 2.174 -14.209 1.00 15.21 H new ATOM 0 HD2 PHE A 74 -3.586 6.221 -13.385 1.00 2.43 H new ATOM 0 HE1 PHE A 74 -2.874 2.068 -15.922 1.00 73.34 H new ATOM 0 HE2 PHE A 74 -1.830 6.118 -15.098 1.00 65.02 H new ATOM 0 HZ PHE A 74 -1.467 4.038 -16.368 1.00 3.40 H new ATOM 1121 N ASP A 75 -3.894 2.944 -10.091 1.00 1.13 N ATOM 1122 CA ASP A 75 -2.662 2.566 -9.408 1.00 32.32 C ATOM 1123 C ASP A 75 -2.689 1.092 -9.015 1.00 72.35 C ATOM 1124 O ASP A 75 -1.842 0.310 -9.445 1.00 44.22 O ATOM 1125 CB ASP A 75 -2.456 3.433 -8.165 1.00 44.32 C ATOM 1126 CG ASP A 75 -1.027 3.390 -7.660 1.00 42.11 C ATOM 1127 OD1 ASP A 75 -0.675 2.419 -6.959 1.00 32.05 O ATOM 1128 OD2 ASP A 75 -0.261 4.328 -7.966 1.00 25.05 O ATOM 0 H ASP A 75 -4.484 3.592 -9.569 1.00 1.13 H new ATOM 0 HA ASP A 75 -1.831 2.726 -10.095 1.00 32.32 H new ATOM 0 HB2 ASP A 75 -2.726 4.464 -8.395 1.00 44.32 H new ATOM 0 HB3 ASP A 75 -3.128 3.096 -7.375 1.00 44.32 H new ATOM 1133 N GLU A 76 -3.668 0.720 -8.196 1.00 50.41 N ATOM 1134 CA GLU A 76 -3.803 -0.660 -7.745 1.00 13.42 C ATOM 1135 C GLU A 76 -3.988 -1.604 -8.929 1.00 41.33 C ATOM 1136 O GLU A 76 -3.350 -2.654 -9.005 1.00 10.14 O ATOM 1137 CB GLU A 76 -4.987 -0.792 -6.784 1.00 3.41 C ATOM 1138 CG GLU A 76 -4.704 -0.251 -5.392 1.00 52.13 C ATOM 1139 CD GLU A 76 -5.930 0.364 -4.745 1.00 40.35 C ATOM 1140 OE1 GLU A 76 -7.056 -0.033 -5.112 1.00 41.34 O ATOM 1141 OE2 GLU A 76 -5.764 1.242 -3.873 1.00 42.23 O ATOM 0 H GLU A 76 -4.379 1.355 -7.832 1.00 50.41 H new ATOM 0 HA GLU A 76 -2.887 -0.936 -7.222 1.00 13.42 H new ATOM 0 HB2 GLU A 76 -5.844 -0.265 -7.202 1.00 3.41 H new ATOM 0 HB3 GLU A 76 -5.266 -1.843 -6.707 1.00 3.41 H new ATOM 0 HG2 GLU A 76 -4.331 -1.058 -4.761 1.00 52.13 H new ATOM 0 HG3 GLU A 76 -3.914 0.498 -5.451 1.00 52.13 H new ATOM 1148 N TRP A 77 -4.865 -1.222 -9.851 1.00 22.32 N ATOM 1149 CA TRP A 77 -5.134 -2.035 -11.032 1.00 14.33 C ATOM 1150 C TRP A 77 -3.838 -2.412 -11.740 1.00 72.23 C ATOM 1151 O TRP A 77 -3.655 -3.559 -12.152 1.00 1.34 O ATOM 1152 CB TRP A 77 -6.056 -1.283 -11.994 1.00 22.03 C ATOM 1153 CG TRP A 77 -6.482 -2.105 -13.173 1.00 4.15 C ATOM 1154 CD1 TRP A 77 -7.675 -2.749 -13.334 1.00 63.43 C ATOM 1155 CD2 TRP A 77 -5.716 -2.372 -14.353 1.00 11.54 C ATOM 1156 NE1 TRP A 77 -7.697 -3.401 -14.544 1.00 0.31 N ATOM 1157 CE2 TRP A 77 -6.508 -3.184 -15.188 1.00 43.20 C ATOM 1158 CE3 TRP A 77 -4.440 -2.002 -14.786 1.00 11.40 C ATOM 1159 CZ2 TRP A 77 -6.063 -3.632 -16.429 1.00 3.41 C ATOM 1160 CZ3 TRP A 77 -4.000 -2.447 -16.018 1.00 22.23 C ATOM 1161 CH2 TRP A 77 -4.809 -3.254 -16.828 1.00 33.40 C ATOM 0 H TRP A 77 -5.401 -0.356 -9.804 1.00 22.32 H new ATOM 0 HA TRP A 77 -5.628 -2.951 -10.708 1.00 14.33 H new ATOM 0 HB2 TRP A 77 -6.942 -0.951 -11.452 1.00 22.03 H new ATOM 0 HB3 TRP A 77 -5.546 -0.388 -12.350 1.00 22.03 H new ATOM 0 HD1 TRP A 77 -8.482 -2.747 -12.617 1.00 63.43 H new ATOM 0 HE1 TRP A 77 -8.473 -3.956 -14.904 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -3.809 -1.379 -14.169 1.00 11.40 H new ATOM 0 HZ2 TRP A 77 -6.685 -4.255 -17.054 1.00 3.41 H new ATOM 0 HZ3 TRP A 77 -3.015 -2.168 -16.362 1.00 22.23 H new ATOM 0 HH2 TRP A 77 -4.436 -3.585 -17.786 1.00 33.40 H new ATOM 1172 N LEU A 78 -2.941 -1.442 -11.880 1.00 74.21 N ATOM 1173 CA LEU A 78 -1.661 -1.673 -12.539 1.00 62.45 C ATOM 1174 C LEU A 78 -0.777 -2.594 -11.705 1.00 21.34 C ATOM 1175 O LEU A 78 -0.122 -3.492 -12.235 1.00 1.13 O ATOM 1176 CB LEU A 78 -0.944 -0.345 -12.785 1.00 50.51 C ATOM 1177 CG LEU A 78 -0.435 -0.109 -14.208 1.00 21.44 C ATOM 1178 CD1 LEU A 78 0.149 1.288 -14.341 1.00 43.32 C ATOM 1179 CD2 LEU A 78 0.599 -1.160 -14.584 1.00 65.03 C ATOM 0 H LEU A 78 -3.077 -0.488 -11.546 1.00 74.21 H new ATOM 0 HA LEU A 78 -1.856 -2.156 -13.496 1.00 62.45 H new ATOM 0 HB2 LEU A 78 -1.625 0.466 -12.525 1.00 50.51 H new ATOM 0 HB3 LEU A 78 -0.097 -0.281 -12.102 1.00 50.51 H new ATOM 0 HG LEU A 78 -1.277 -0.194 -14.894 1.00 21.44 H new ATOM 0 HD11 LEU A 78 0.506 1.438 -15.360 1.00 43.32 H new ATOM 0 HD12 LEU A 78 -0.619 2.027 -14.114 1.00 43.32 H new ATOM 0 HD13 LEU A 78 0.980 1.403 -13.645 1.00 43.32 H new ATOM 0 HD21 LEU A 78 0.951 -0.977 -15.599 1.00 65.03 H new ATOM 0 HD22 LEU A 78 1.440 -1.106 -13.893 1.00 65.03 H new ATOM 0 HD23 LEU A 78 0.148 -2.151 -14.529 1.00 65.03 H new ATOM 1191 N VAL A 79 -0.765 -2.367 -10.395 1.00 22.21 N ATOM 1192 CA VAL A 79 0.036 -3.178 -9.486 1.00 32.44 C ATOM 1193 C VAL A 79 -0.419 -4.633 -9.502 1.00 62.55 C ATOM 1194 O VAL A 79 0.394 -5.549 -9.380 1.00 71.53 O ATOM 1195 CB VAL A 79 -0.040 -2.645 -8.043 1.00 13.13 C ATOM 1196 CG1 VAL A 79 0.939 -3.388 -7.146 1.00 54.33 C ATOM 1197 CG2 VAL A 79 0.228 -1.148 -8.014 1.00 11.22 C ATOM 0 H VAL A 79 -1.301 -1.628 -9.940 1.00 22.21 H new ATOM 0 HA VAL A 79 1.067 -3.118 -9.834 1.00 32.44 H new ATOM 0 HB VAL A 79 -1.047 -2.819 -7.663 1.00 13.13 H new ATOM 0 HG11 VAL A 79 0.871 -2.997 -6.131 1.00 54.33 H new ATOM 0 HG12 VAL A 79 0.696 -4.450 -7.143 1.00 54.33 H new ATOM 0 HG13 VAL A 79 1.953 -3.249 -7.521 1.00 54.33 H new ATOM 0 HG21 VAL A 79 0.170 -0.788 -6.987 1.00 11.22 H new ATOM 0 HG22 VAL A 79 1.222 -0.949 -8.413 1.00 11.22 H new ATOM 0 HG23 VAL A 79 -0.517 -0.633 -8.621 1.00 11.22 H new ATOM 1207 N MET A 80 -1.723 -4.839 -9.655 1.00 41.53 N ATOM 1208 CA MET A 80 -2.286 -6.183 -9.690 1.00 22.40 C ATOM 1209 C MET A 80 -1.545 -7.057 -10.697 1.00 41.04 C ATOM 1210 O MET A 80 -1.059 -8.135 -10.358 1.00 64.31 O ATOM 1211 CB MET A 80 -3.773 -6.128 -10.042 1.00 55.14 C ATOM 1212 CG MET A 80 -4.654 -5.667 -8.892 1.00 23.41 C ATOM 1213 SD MET A 80 -6.394 -6.063 -9.147 1.00 71.53 S ATOM 1214 CE MET A 80 -6.610 -5.557 -10.852 1.00 12.55 C ATOM 0 H MET A 80 -2.410 -4.092 -9.757 1.00 41.53 H new ATOM 0 HA MET A 80 -2.171 -6.623 -8.700 1.00 22.40 H new ATOM 0 HB2 MET A 80 -3.913 -5.455 -10.888 1.00 55.14 H new ATOM 0 HB3 MET A 80 -4.098 -7.117 -10.364 1.00 55.14 H new ATOM 0 HG2 MET A 80 -4.311 -6.132 -7.968 1.00 23.41 H new ATOM 0 HG3 MET A 80 -4.545 -4.590 -8.766 1.00 23.41 H new ATOM 0 HE1 MET A 80 -7.517 -4.959 -10.942 1.00 12.55 H new ATOM 0 HE2 MET A 80 -5.752 -4.964 -11.167 1.00 12.55 H new ATOM 0 HE3 MET A 80 -6.693 -6.440 -11.486 1.00 12.55 H new ATOM 1224 N MET A 81 -1.463 -6.584 -11.937 1.00 35.22 N ATOM 1225 CA MET A 81 -0.781 -7.323 -12.993 1.00 2.23 C ATOM 1226 C MET A 81 0.696 -7.510 -12.658 1.00 35.31 C ATOM 1227 O MET A 81 1.270 -8.569 -12.912 1.00 55.32 O ATOM 1228 CB MET A 81 -0.924 -6.593 -14.330 1.00 1.24 C ATOM 1229 CG MET A 81 -1.416 -7.484 -15.459 1.00 10.43 C ATOM 1230 SD MET A 81 -2.742 -6.724 -16.415 1.00 53.31 S ATOM 1231 CE MET A 81 -3.962 -6.438 -15.135 1.00 10.10 C ATOM 0 H MET A 81 -1.860 -5.693 -12.235 1.00 35.22 H new ATOM 0 HA MET A 81 -1.245 -8.306 -13.073 1.00 2.23 H new ATOM 0 HB2 MET A 81 -1.616 -5.760 -14.208 1.00 1.24 H new ATOM 0 HB3 MET A 81 0.041 -6.168 -14.608 1.00 1.24 H new ATOM 0 HG2 MET A 81 -0.583 -7.717 -16.122 1.00 10.43 H new ATOM 0 HG3 MET A 81 -1.768 -8.429 -15.044 1.00 10.43 H new ATOM 0 HE1 MET A 81 -4.962 -6.524 -15.560 1.00 10.10 H new ATOM 0 HE2 MET A 81 -3.839 -7.177 -14.343 1.00 10.10 H new ATOM 0 HE3 MET A 81 -3.828 -5.438 -14.722 1.00 10.10 H new ATOM 1241 N ALA A 82 1.304 -6.476 -12.087 1.00 22.24 N ATOM 1242 CA ALA A 82 2.713 -6.528 -11.716 1.00 71.31 C ATOM 1243 C ALA A 82 2.997 -7.717 -10.804 1.00 0.10 C ATOM 1244 O ALA A 82 4.120 -8.219 -10.754 1.00 42.42 O ATOM 1245 CB ALA A 82 3.129 -5.230 -11.040 1.00 22.40 C ATOM 0 H ALA A 82 0.843 -5.592 -11.871 1.00 22.24 H new ATOM 0 HA ALA A 82 3.299 -6.654 -12.627 1.00 71.31 H new ATOM 0 HB1 ALA A 82 4.183 -5.283 -10.768 1.00 22.40 H new ATOM 0 HB2 ALA A 82 2.972 -4.397 -11.725 1.00 22.40 H new ATOM 0 HB3 ALA A 82 2.530 -5.079 -10.142 1.00 22.40 H new ATOM 1251 N ARG A 83 1.973 -8.162 -10.083 1.00 71.15 N ATOM 1252 CA ARG A 83 2.114 -9.291 -9.171 1.00 53.34 C ATOM 1253 C ARG A 83 2.471 -10.564 -9.933 1.00 1.21 C ATOM 1254 O ARG A 83 3.065 -11.487 -9.374 1.00 51.03 O ATOM 1255 CB ARG A 83 0.820 -9.501 -8.383 1.00 74.43 C ATOM 1256 CG ARG A 83 0.391 -8.285 -7.579 1.00 4.11 C ATOM 1257 CD ARG A 83 -0.626 -8.653 -6.511 1.00 33.43 C ATOM 1258 NE ARG A 83 -0.763 -7.607 -5.501 1.00 21.42 N ATOM 1259 CZ ARG A 83 -1.442 -7.762 -4.370 1.00 30.13 C ATOM 1260 NH1 ARG A 83 -2.043 -8.914 -4.106 1.00 22.14 N ATOM 1261 NH2 ARG A 83 -1.521 -6.763 -3.500 1.00 23.22 N ATOM 0 H ARG A 83 1.037 -7.758 -10.113 1.00 71.15 H new ATOM 0 HA ARG A 83 2.923 -9.066 -8.476 1.00 53.34 H new ATOM 0 HB2 ARG A 83 0.022 -9.767 -9.076 1.00 74.43 H new ATOM 0 HB3 ARG A 83 0.950 -10.346 -7.706 1.00 74.43 H new ATOM 0 HG2 ARG A 83 1.264 -7.831 -7.110 1.00 4.11 H new ATOM 0 HG3 ARG A 83 -0.036 -7.538 -8.248 1.00 4.11 H new ATOM 0 HD2 ARG A 83 -1.594 -8.834 -6.979 1.00 33.43 H new ATOM 0 HD3 ARG A 83 -0.326 -9.584 -6.030 1.00 33.43 H new ATOM 0 HE ARG A 83 -0.313 -6.708 -5.674 1.00 21.42 H new ATOM 0 HH11 ARG A 83 -1.985 -9.684 -4.772 1.00 22.14 H new ATOM 0 HH12 ARG A 83 -2.564 -9.030 -3.237 1.00 22.14 H new ATOM 0 HH21 ARG A 83 -1.060 -5.875 -3.700 1.00 23.22 H new ATOM 0 HH22 ARG A 83 -2.043 -6.883 -2.632 1.00 23.22 H new ATOM 1275 N CYS A 84 2.105 -10.606 -11.209 1.00 44.32 N ATOM 1276 CA CYS A 84 2.386 -11.766 -12.047 1.00 63.12 C ATOM 1277 C CYS A 84 3.878 -11.874 -12.344 1.00 25.44 C ATOM 1278 O CYS A 84 4.360 -12.919 -12.781 1.00 1.10 O ATOM 1279 CB CYS A 84 1.599 -11.679 -13.356 1.00 2.34 C ATOM 1280 SG CYS A 84 1.605 -13.206 -14.324 1.00 15.23 S ATOM 0 H CYS A 84 1.613 -9.850 -11.686 1.00 44.32 H new ATOM 0 HA CYS A 84 2.076 -12.659 -11.504 1.00 63.12 H new ATOM 0 HB2 CYS A 84 0.567 -11.409 -13.130 1.00 2.34 H new ATOM 0 HB3 CYS A 84 2.013 -10.875 -13.964 1.00 2.34 H new ATOM 0 HG CYS A 84 2.746 -13.810 -14.174 1.00 15.23 H new ATOM 1286 N MET A 85 4.604 -10.787 -12.104 1.00 25.33 N ATOM 1287 CA MET A 85 6.042 -10.760 -12.346 1.00 23.54 C ATOM 1288 C MET A 85 6.789 -11.545 -11.272 1.00 21.05 C ATOM 1289 O MET A 85 7.889 -12.046 -11.506 1.00 1.13 O ATOM 1290 CB MET A 85 6.548 -9.317 -12.383 1.00 52.04 C ATOM 1291 CG MET A 85 6.067 -8.536 -13.596 1.00 22.41 C ATOM 1292 SD MET A 85 6.904 -9.029 -15.115 1.00 50.33 S ATOM 1293 CE MET A 85 5.598 -9.933 -15.943 1.00 42.23 C ATOM 0 H MET A 85 4.220 -9.914 -11.742 1.00 25.33 H new ATOM 0 HA MET A 85 6.231 -11.229 -13.312 1.00 23.54 H new ATOM 0 HB2 MET A 85 6.223 -8.803 -11.478 1.00 52.04 H new ATOM 0 HB3 MET A 85 7.638 -9.322 -12.373 1.00 52.04 H new ATOM 0 HG2 MET A 85 4.993 -8.681 -13.714 1.00 22.41 H new ATOM 0 HG3 MET A 85 6.229 -7.472 -13.426 1.00 22.41 H new ATOM 0 HE1 MET A 85 6.028 -10.562 -16.722 1.00 42.23 H new ATOM 0 HE2 MET A 85 5.074 -10.558 -15.220 1.00 42.23 H new ATOM 0 HE3 MET A 85 4.896 -9.230 -16.391 1.00 42.23 H new