USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 111 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 GLN : amide:sc= -0.7 K(o=-0.7,f=-6.2!) USER MOD Single : A 76 ASN : amide:sc= -0.901! C(o=-0.9!,f=-5.3!) USER MOD Single : A 82 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -55:sc= 0.465 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.152 K(o=0.15,f=-3!) USER MOD Single : A 109 SER OG : rot -45:sc= -0.796! USER MOD Single : A 115 GLN : amide:sc= -1.96! C(o=-2!,f=-2.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ASN A 76 51.497 33.715 130.209 1.00 0.00 N ATOM 113 CA ASN A 76 50.928 34.746 131.019 1.00 0.00 C ATOM 114 C ASN A 76 50.152 34.040 132.070 1.00 0.00 C ATOM 115 O ASN A 76 49.274 33.235 131.763 1.00 0.00 O ATOM 116 CB ASN A 76 49.916 35.656 130.301 1.00 0.00 C ATOM 117 CG ASN A 76 50.645 36.525 129.291 1.00 0.00 C ATOM 118 OD1 ASN A 76 51.543 37.295 129.629 1.00 0.00 O ATOM 119 ND2 ASN A 76 50.239 36.392 127.999 1.00 0.00 N ATOM 0 HA ASN A 76 51.747 35.380 131.360 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.160 35.052 129.799 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.395 36.281 131.026 1.00 0.00 H new ATOM 0 HD21 ASN A 76 50.684 36.944 127.265 1.00 0.00 H new ATOM 0 HD22 ASN A 76 49.490 35.741 127.764 1.00 0.00 H new ATOM 126 N VAL A 77 50.479 34.291 133.349 1.00 0.00 N ATOM 127 CA VAL A 77 49.665 33.685 134.348 1.00 0.00 C ATOM 128 C VAL A 77 48.998 34.829 135.025 1.00 0.00 C ATOM 129 O VAL A 77 49.636 35.582 135.762 1.00 0.00 O ATOM 130 CB VAL A 77 50.419 32.919 135.394 1.00 0.00 C ATOM 131 CG1 VAL A 77 49.396 32.320 136.376 1.00 0.00 C ATOM 132 CG2 VAL A 77 51.340 31.896 134.706 1.00 0.00 C ATOM 0 H VAL A 77 51.251 34.872 133.675 1.00 0.00 H new ATOM 0 HA VAL A 77 49.003 32.962 133.871 1.00 0.00 H new ATOM 0 HB VAL A 77 51.082 33.552 135.984 1.00 0.00 H new ATOM 0 HG11 VAL A 77 49.920 31.757 137.148 1.00 0.00 H new ATOM 0 HG12 VAL A 77 48.822 33.123 136.839 1.00 0.00 H new ATOM 0 HG13 VAL A 77 48.721 31.655 135.837 1.00 0.00 H new ATOM 0 HG21 VAL A 77 51.891 31.336 135.462 1.00 0.00 H new ATOM 0 HG22 VAL A 77 50.739 31.208 134.111 1.00 0.00 H new ATOM 0 HG23 VAL A 77 52.043 32.418 134.057 1.00 0.00 H new ATOM 142 N LEU A 78 47.686 35.001 134.767 1.00 0.00 N ATOM 143 CA LEU A 78 46.984 36.118 135.318 1.00 0.00 C ATOM 144 C LEU A 78 45.520 35.832 135.233 1.00 0.00 C ATOM 145 O LEU A 78 45.105 34.849 134.617 1.00 0.00 O ATOM 146 CB LEU A 78 47.233 37.421 134.540 1.00 0.00 C ATOM 147 CG LEU A 78 46.569 37.464 133.146 1.00 0.00 C ATOM 148 CD1 LEU A 78 47.028 38.705 132.362 1.00 0.00 C ATOM 149 CD2 LEU A 78 46.750 36.151 132.366 1.00 0.00 C ATOM 0 H LEU A 78 47.122 34.379 134.188 1.00 0.00 H new ATOM 0 HA LEU A 78 47.337 36.253 136.340 1.00 0.00 H new ATOM 0 HB2 LEU A 78 46.865 38.260 135.131 1.00 0.00 H new ATOM 0 HB3 LEU A 78 48.308 37.561 134.422 1.00 0.00 H new ATOM 0 HG LEU A 78 45.493 37.559 133.292 1.00 0.00 H new ATOM 0 HD11 LEU A 78 46.548 38.715 131.383 1.00 0.00 H new ATOM 0 HD12 LEU A 78 46.751 39.605 132.911 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.110 38.676 132.235 1.00 0.00 H new ATOM 0 HD21 LEU A 78 46.264 36.235 131.394 1.00 0.00 H new ATOM 0 HD22 LEU A 78 47.813 35.955 132.225 1.00 0.00 H new ATOM 0 HD23 LEU A 78 46.301 35.330 132.926 1.00 0.00 H new ATOM 161 N ARG A 79 44.703 36.693 135.876 1.00 0.00 N ATOM 162 CA ARG A 79 43.275 36.578 135.811 1.00 0.00 C ATOM 163 C ARG A 79 42.792 37.735 134.998 1.00 0.00 C ATOM 164 O ARG A 79 43.406 38.803 134.970 1.00 0.00 O ATOM 165 CB ARG A 79 42.561 36.666 137.174 1.00 0.00 C ATOM 166 CG ARG A 79 42.874 35.495 138.105 1.00 0.00 C ATOM 167 CD ARG A 79 44.325 35.498 138.585 1.00 0.00 C ATOM 168 NE ARG A 79 44.535 34.303 139.449 1.00 0.00 N ATOM 169 CZ ARG A 79 45.810 33.973 139.802 1.00 0.00 C ATOM 170 NH1 ARG A 79 46.843 34.776 139.409 1.00 0.00 N ATOM 171 NH2 ARG A 79 46.059 32.848 140.536 1.00 0.00 N ATOM 0 H ARG A 79 45.035 37.473 136.444 1.00 0.00 H new ATOM 0 HA ARG A 79 43.050 35.596 135.396 1.00 0.00 H new ATOM 0 HB2 ARG A 79 42.847 37.596 137.665 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.485 36.710 137.009 1.00 0.00 H new ATOM 0 HG2 ARG A 79 42.209 35.534 138.968 1.00 0.00 H new ATOM 0 HG3 ARG A 79 42.668 34.558 137.587 1.00 0.00 H new ATOM 0 HD2 ARG A 79 45.006 35.476 137.734 1.00 0.00 H new ATOM 0 HD3 ARG A 79 44.539 36.411 139.141 1.00 0.00 H new ATOM 0 HE ARG A 79 43.744 33.745 139.769 1.00 0.00 H new ATOM 0 HH11 ARG A 79 46.657 35.613 138.857 1.00 0.00 H new ATOM 0 HH12 ARG A 79 47.801 34.538 139.668 1.00 0.00 H new ATOM 0 HH21 ARG A 79 45.288 32.246 140.825 1.00 0.00 H new ATOM 0 HH22 ARG A 79 47.016 32.610 140.795 1.00 0.00 H new ATOM 185 N ARG A 80 41.656 37.536 134.306 1.00 0.00 N ATOM 186 CA ARG A 80 41.109 38.535 133.436 1.00 0.00 C ATOM 187 C ARG A 80 40.727 39.739 134.237 1.00 0.00 C ATOM 188 O ARG A 80 40.884 40.872 133.780 1.00 0.00 O ATOM 189 CB ARG A 80 39.846 38.083 132.698 1.00 0.00 C ATOM 190 CG ARG A 80 39.318 39.176 131.775 1.00 0.00 C ATOM 191 CD ARG A 80 38.310 38.667 130.750 1.00 0.00 C ATOM 192 NE ARG A 80 37.133 39.570 130.768 1.00 0.00 N ATOM 193 CZ ARG A 80 35.973 39.137 130.197 1.00 0.00 C ATOM 194 NH1 ARG A 80 35.934 37.909 129.601 1.00 0.00 N ATOM 195 NH2 ARG A 80 34.854 39.916 130.234 1.00 0.00 N ATOM 0 H ARG A 80 41.111 36.675 134.349 1.00 0.00 H new ATOM 0 HA ARG A 80 41.886 38.743 132.701 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.064 37.188 132.116 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.077 37.813 133.422 1.00 0.00 H new ATOM 0 HG2 ARG A 80 38.851 39.956 132.377 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.156 39.636 131.252 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.757 38.645 129.756 1.00 0.00 H new ATOM 0 HD3 ARG A 80 38.010 37.646 130.987 1.00 0.00 H new ATOM 0 HE ARG A 80 37.190 40.493 131.198 1.00 0.00 H new ATOM 0 HH11 ARG A 80 36.769 37.323 129.585 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.070 37.578 129.172 1.00 0.00 H new ATOM 0 HH21 ARG A 80 34.882 40.828 130.691 1.00 0.00 H new ATOM 0 HH22 ARG A 80 33.989 39.587 129.805 1.00 0.00 H new ATOM 209 N GLU A 81 40.226 39.507 135.463 1.00 0.00 N ATOM 210 CA GLU A 81 39.724 40.551 136.303 1.00 0.00 C ATOM 211 C GLU A 81 40.817 41.531 136.596 1.00 0.00 C ATOM 212 O GLU A 81 40.569 42.732 136.695 1.00 0.00 O ATOM 213 CB GLU A 81 39.207 40.032 137.659 1.00 0.00 C ATOM 214 CG GLU A 81 38.138 38.944 137.548 1.00 0.00 C ATOM 215 CD GLU A 81 38.844 37.599 137.682 1.00 0.00 C ATOM 216 OE1 GLU A 81 39.000 37.127 138.839 1.00 0.00 O ATOM 217 OE2 GLU A 81 39.252 37.033 136.634 1.00 0.00 O ATOM 0 H GLU A 81 40.168 38.578 135.879 1.00 0.00 H new ATOM 0 HA GLU A 81 38.896 41.008 135.761 1.00 0.00 H new ATOM 0 HB2 GLU A 81 40.049 39.641 138.231 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.799 40.870 138.224 1.00 0.00 H new ATOM 0 HG2 GLU A 81 37.386 39.063 138.328 1.00 0.00 H new ATOM 0 HG3 GLU A 81 37.619 39.012 136.592 1.00 0.00 H new ATOM 224 N THR A 82 42.071 41.057 136.752 1.00 0.00 N ATOM 225 CA THR A 82 43.130 41.962 137.087 1.00 0.00 C ATOM 226 C THR A 82 43.281 42.948 135.968 1.00 0.00 C ATOM 227 O THR A 82 43.538 44.127 136.201 1.00 0.00 O ATOM 228 CB THR A 82 44.461 41.291 137.274 1.00 0.00 C ATOM 229 OG1 THR A 82 44.924 40.747 136.044 1.00 0.00 O ATOM 230 CG2 THR A 82 44.293 40.172 138.315 1.00 0.00 C ATOM 0 H THR A 82 42.345 40.080 136.650 1.00 0.00 H new ATOM 0 HA THR A 82 42.856 42.427 138.034 1.00 0.00 H new ATOM 0 HB THR A 82 45.196 42.019 137.617 1.00 0.00 H new ATOM 0 HG1 THR A 82 44.251 40.132 135.684 1.00 0.00 H new ATOM 0 HG21 THR A 82 45.249 39.670 138.467 1.00 0.00 H new ATOM 0 HG22 THR A 82 43.954 40.600 139.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 43.557 39.451 137.959 1.00 0.00 H new ATOM 238 N LEU A 83 43.149 42.469 134.720 1.00 0.00 N ATOM 239 CA LEU A 83 43.262 43.293 133.548 1.00 0.00 C ATOM 240 C LEU A 83 42.137 44.275 133.522 1.00 0.00 C ATOM 241 O LEU A 83 42.315 45.433 133.145 1.00 0.00 O ATOM 242 CB LEU A 83 43.170 42.486 132.242 1.00 0.00 C ATOM 243 CG LEU A 83 44.359 41.542 131.978 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.212 40.842 130.617 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.703 42.279 132.103 1.00 0.00 C ATOM 0 H LEU A 83 42.959 41.488 134.515 1.00 0.00 H new ATOM 0 HA LEU A 83 44.238 43.775 133.604 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.254 41.896 132.260 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.085 43.182 131.407 1.00 0.00 H new ATOM 0 HG LEU A 83 44.351 40.769 132.746 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.063 40.181 130.454 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.292 40.258 130.606 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.176 41.590 129.825 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.519 41.583 131.910 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.741 43.092 131.378 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.803 42.686 133.109 1.00 0.00 H new ATOM 257 N GLU A 84 40.933 43.828 133.918 1.00 0.00 N ATOM 258 CA GLU A 84 39.793 44.696 133.929 1.00 0.00 C ATOM 259 C GLU A 84 40.108 45.831 134.847 1.00 0.00 C ATOM 260 O GLU A 84 39.798 46.985 134.556 1.00 0.00 O ATOM 261 CB GLU A 84 38.554 43.997 134.508 1.00 0.00 C ATOM 262 CG GLU A 84 37.370 44.934 134.719 1.00 0.00 C ATOM 263 CD GLU A 84 36.243 44.131 135.356 1.00 0.00 C ATOM 264 OE1 GLU A 84 36.526 43.100 136.022 1.00 0.00 O ATOM 265 OE2 GLU A 84 35.069 44.550 135.179 1.00 0.00 O ATOM 0 H GLU A 84 40.747 42.874 134.229 1.00 0.00 H new ATOM 0 HA GLU A 84 39.585 45.009 132.906 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.255 43.191 133.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 38.818 43.538 135.461 1.00 0.00 H new ATOM 0 HG2 GLU A 84 37.654 45.768 135.361 1.00 0.00 H new ATOM 0 HG3 GLU A 84 37.046 45.359 133.769 1.00 0.00 H new ATOM 272 N ASP A 85 40.743 45.511 135.991 1.00 0.00 N ATOM 273 CA ASP A 85 41.106 46.466 137.000 1.00 0.00 C ATOM 274 C ASP A 85 42.098 47.422 136.413 1.00 0.00 C ATOM 275 O ASP A 85 42.048 48.624 136.670 1.00 0.00 O ATOM 276 CB ASP A 85 41.818 45.791 138.183 1.00 0.00 C ATOM 277 CG ASP A 85 41.883 46.776 139.338 1.00 0.00 C ATOM 278 OD1 ASP A 85 41.600 47.980 139.110 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.208 46.322 140.465 1.00 0.00 O ATOM 0 H ASP A 85 41.014 44.555 136.223 1.00 0.00 H new ATOM 0 HA ASP A 85 40.192 46.954 137.340 1.00 0.00 H new ATOM 0 HB2 ASP A 85 41.281 44.891 138.483 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.822 45.482 137.893 1.00 0.00 H new ATOM 284 N ALA A 86 43.035 46.896 135.609 1.00 0.00 N ATOM 285 CA ALA A 86 44.070 47.711 135.036 1.00 0.00 C ATOM 286 C ALA A 86 43.464 48.720 134.118 1.00 0.00 C ATOM 287 O ALA A 86 43.943 49.848 134.013 1.00 0.00 O ATOM 288 CB ALA A 86 45.123 46.905 134.255 1.00 0.00 C ATOM 0 H ALA A 86 43.081 45.910 135.353 1.00 0.00 H new ATOM 0 HA ALA A 86 44.581 48.190 135.871 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.874 47.584 133.850 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.603 46.190 134.923 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.639 46.370 133.438 1.00 0.00 H new ATOM 294 N VAL A 87 42.395 48.334 133.394 1.00 0.00 N ATOM 295 CA VAL A 87 41.750 49.236 132.483 1.00 0.00 C ATOM 296 C VAL A 87 41.236 50.422 133.243 1.00 0.00 C ATOM 297 O VAL A 87 41.373 51.558 132.788 1.00 0.00 O ATOM 298 CB VAL A 87 40.553 48.621 131.835 1.00 0.00 C ATOM 299 CG1 VAL A 87 39.793 49.706 131.045 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.036 47.446 130.979 1.00 0.00 C ATOM 0 H VAL A 87 41.979 47.404 133.438 1.00 0.00 H new ATOM 0 HA VAL A 87 42.491 49.502 131.729 1.00 0.00 H new ATOM 0 HB VAL A 87 39.843 48.225 132.560 1.00 0.00 H new ATOM 0 HG11 VAL A 87 38.918 49.264 130.569 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.476 50.496 131.725 1.00 0.00 H new ATOM 0 HG13 VAL A 87 40.448 50.126 130.281 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.182 46.976 130.492 1.00 0.00 H new ATOM 0 HG22 VAL A 87 41.731 47.809 130.222 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.539 46.716 131.613 1.00 0.00 H new ATOM 310 N LYS A 88 40.581 50.181 134.395 1.00 0.00 N ATOM 311 CA LYS A 88 40.011 51.269 135.129 1.00 0.00 C ATOM 312 C LYS A 88 41.075 52.149 135.710 1.00 0.00 C ATOM 313 O LYS A 88 41.016 53.370 135.562 1.00 0.00 O ATOM 314 CB LYS A 88 39.078 50.833 136.276 1.00 0.00 C ATOM 315 CG LYS A 88 38.287 52.017 136.844 1.00 0.00 C ATOM 316 CD LYS A 88 37.160 51.634 137.808 1.00 0.00 C ATOM 317 CE LYS A 88 36.392 52.841 138.352 1.00 0.00 C ATOM 318 NZ LYS A 88 35.582 52.441 139.526 1.00 0.00 N ATOM 0 H LYS A 88 40.448 49.258 134.809 1.00 0.00 H new ATOM 0 HA LYS A 88 39.414 51.810 134.395 1.00 0.00 H new ATOM 0 HB2 LYS A 88 38.386 50.073 135.913 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.667 50.374 137.070 1.00 0.00 H new ATOM 0 HG2 LYS A 88 38.978 52.683 137.361 1.00 0.00 H new ATOM 0 HG3 LYS A 88 37.861 52.582 136.015 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.464 50.970 137.296 1.00 0.00 H new ATOM 0 HD3 LYS A 88 37.580 51.073 138.643 1.00 0.00 H new ATOM 0 HE2 LYS A 88 37.090 53.629 138.633 1.00 0.00 H new ATOM 0 HE3 LYS A 88 35.745 53.250 137.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 35.064 53.267 139.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 34.905 51.704 139.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 36.208 52.071 140.270 1.00 0.00 H new ATOM 332 N HIS A 89 42.095 51.565 136.383 1.00 0.00 N ATOM 333 CA HIS A 89 43.104 52.416 136.961 1.00 0.00 C ATOM 334 C HIS A 89 44.463 52.009 136.481 1.00 0.00 C ATOM 335 O HIS A 89 45.060 51.029 136.929 1.00 0.00 O ATOM 336 CB HIS A 89 43.104 52.449 138.501 1.00 0.00 C ATOM 337 CG HIS A 89 41.950 53.256 139.016 1.00 0.00 C ATOM 338 ND1 HIS A 89 40.895 52.772 139.758 1.00 0.00 N ATOM 339 CD2 HIS A 89 41.694 54.579 138.827 1.00 0.00 C ATOM 340 CE1 HIS A 89 40.057 53.821 139.979 1.00 0.00 C ATOM 341 NE2 HIS A 89 40.497 54.938 139.429 1.00 0.00 N ATOM 0 H HIS A 89 42.220 50.562 136.523 1.00 0.00 H new ATOM 0 HA HIS A 89 42.856 53.424 136.628 1.00 0.00 H new ATOM 0 HB2 HIS A 89 43.046 51.433 138.891 1.00 0.00 H new ATOM 0 HB3 HIS A 89 44.041 52.875 138.860 1.00 0.00 H new ATOM 0 HD2 HIS A 89 42.335 55.257 138.283 1.00 0.00 H new ATOM 0 HE1 HIS A 89 39.137 53.748 140.540 1.00 0.00 H new ATOM 0 HE2 HIS A 89 40.056 55.858 139.444 1.00 0.00 H new ATOM 349 N PRO A 90 44.922 52.776 135.531 1.00 0.00 N ATOM 350 CA PRO A 90 46.223 52.588 134.946 1.00 0.00 C ATOM 351 C PRO A 90 47.387 52.895 135.843 1.00 0.00 C ATOM 352 O PRO A 90 48.414 52.232 135.720 1.00 0.00 O ATOM 353 CB PRO A 90 46.225 53.431 133.669 1.00 0.00 C ATOM 354 CG PRO A 90 44.743 53.482 133.263 1.00 0.00 C ATOM 355 CD PRO A 90 43.983 53.364 134.593 1.00 0.00 C ATOM 0 HA PRO A 90 46.376 51.528 134.743 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.625 54.429 133.849 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.838 52.977 132.890 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.503 54.412 132.748 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.488 52.668 132.585 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.644 54.341 134.938 1.00 0.00 H new ATOM 0 HD3 PRO A 90 43.096 52.740 134.483 1.00 0.00 H new ATOM 363 N GLU A 91 47.254 53.876 136.754 1.00 0.00 N ATOM 364 CA GLU A 91 48.339 54.304 137.600 1.00 0.00 C ATOM 365 C GLU A 91 48.702 53.191 138.524 1.00 0.00 C ATOM 366 O GLU A 91 49.817 53.136 139.045 1.00 0.00 O ATOM 367 CB GLU A 91 48.020 55.554 138.435 1.00 0.00 C ATOM 368 CG GLU A 91 47.927 56.835 137.598 1.00 0.00 C ATOM 369 CD GLU A 91 49.329 57.385 137.348 1.00 0.00 C ATOM 370 OE1 GLU A 91 49.801 58.164 138.217 1.00 0.00 O ATOM 371 OE2 GLU A 91 49.937 57.052 136.294 1.00 0.00 O ATOM 0 H GLU A 91 46.383 54.383 136.910 1.00 0.00 H new ATOM 0 HA GLU A 91 49.164 54.568 136.938 1.00 0.00 H new ATOM 0 HB2 GLU A 91 47.076 55.401 138.959 1.00 0.00 H new ATOM 0 HB3 GLU A 91 48.790 55.681 139.196 1.00 0.00 H new ATOM 0 HG2 GLU A 91 47.432 56.627 136.649 1.00 0.00 H new ATOM 0 HG3 GLU A 91 47.321 57.578 138.117 1.00 0.00 H new ATOM 378 N LYS A 92 47.728 52.306 138.792 1.00 0.00 N ATOM 379 CA LYS A 92 47.911 51.192 139.670 1.00 0.00 C ATOM 380 C LYS A 92 48.959 50.271 139.111 1.00 0.00 C ATOM 381 O LYS A 92 49.794 49.772 139.863 1.00 0.00 O ATOM 382 CB LYS A 92 46.620 50.367 139.830 1.00 0.00 C ATOM 383 CG LYS A 92 46.658 49.408 141.020 1.00 0.00 C ATOM 384 CD LYS A 92 45.283 48.885 141.440 1.00 0.00 C ATOM 385 CE LYS A 92 45.299 48.152 142.783 1.00 0.00 C ATOM 386 NZ LYS A 92 43.944 47.656 143.105 1.00 0.00 N ATOM 0 H LYS A 92 46.792 52.365 138.390 1.00 0.00 H new ATOM 0 HA LYS A 92 48.206 51.597 140.638 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.775 51.046 139.947 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.447 49.796 138.918 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.297 48.561 140.771 1.00 0.00 H new ATOM 0 HG3 LYS A 92 47.117 49.915 141.868 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.586 49.721 141.499 1.00 0.00 H new ATOM 0 HD3 LYS A 92 44.908 48.211 140.670 1.00 0.00 H new ATOM 0 HE2 LYS A 92 46.000 47.319 142.743 1.00 0.00 H new ATOM 0 HE3 LYS A 92 45.646 48.823 143.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 43.964 47.160 144.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 43.285 48.458 143.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 43.629 47.001 142.362 1.00 0.00 H new ATOM 400 N TYR A 93 48.942 49.994 137.788 1.00 0.00 N ATOM 401 CA TYR A 93 49.916 49.063 137.275 1.00 0.00 C ATOM 402 C TYR A 93 50.775 49.733 136.244 1.00 0.00 C ATOM 403 O TYR A 93 50.581 49.533 135.041 1.00 0.00 O ATOM 404 CB TYR A 93 49.270 47.860 136.559 1.00 0.00 C ATOM 405 CG TYR A 93 48.384 47.163 137.533 1.00 0.00 C ATOM 406 CD1 TYR A 93 47.082 47.573 137.694 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.857 46.105 138.272 1.00 0.00 C ATOM 408 CE1 TYR A 93 46.256 46.938 138.592 1.00 0.00 C ATOM 409 CE2 TYR A 93 48.037 45.467 139.172 1.00 0.00 C ATOM 410 CZ TYR A 93 46.738 45.886 139.331 1.00 0.00 C ATOM 411 OH TYR A 93 45.897 45.231 140.255 1.00 0.00 O ATOM 0 H TYR A 93 48.295 50.387 137.105 1.00 0.00 H new ATOM 0 HA TYR A 93 50.484 48.723 138.141 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.696 48.195 135.695 1.00 0.00 H new ATOM 0 HB3 TYR A 93 50.038 47.180 136.189 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.705 48.400 137.111 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.877 45.774 138.145 1.00 0.00 H new ATOM 0 HE1 TYR A 93 45.234 47.265 138.715 1.00 0.00 H new ATOM 0 HE2 TYR A 93 48.413 44.638 139.753 1.00 0.00 H new ATOM 0 HH TYR A 93 46.393 44.509 140.694 1.00 0.00 H new ATOM 421 N PRO A 94 51.744 50.501 136.659 1.00 0.00 N ATOM 422 CA PRO A 94 52.616 51.151 135.717 1.00 0.00 C ATOM 423 C PRO A 94 53.565 50.237 135.007 1.00 0.00 C ATOM 424 O PRO A 94 53.961 50.562 133.888 1.00 0.00 O ATOM 425 CB PRO A 94 53.286 52.305 136.468 1.00 0.00 C ATOM 426 CG PRO A 94 52.921 52.074 137.948 1.00 0.00 C ATOM 427 CD PRO A 94 51.614 51.273 137.881 1.00 0.00 C ATOM 0 HA PRO A 94 52.035 51.537 134.879 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.366 52.299 136.321 1.00 0.00 H new ATOM 0 HB3 PRO A 94 52.922 53.270 136.116 1.00 0.00 H new ATOM 0 HG2 PRO A 94 53.702 51.522 138.471 1.00 0.00 H new ATOM 0 HG3 PRO A 94 52.786 53.016 138.479 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.495 50.628 138.751 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.744 51.929 137.849 1.00 0.00 H new ATOM 435 N GLN A 95 53.948 49.097 135.618 1.00 0.00 N ATOM 436 CA GLN A 95 54.926 48.246 134.999 1.00 0.00 C ATOM 437 C GLN A 95 54.281 46.949 134.631 1.00 0.00 C ATOM 438 O GLN A 95 54.959 45.932 134.490 1.00 0.00 O ATOM 439 CB GLN A 95 56.055 47.891 135.974 1.00 0.00 C ATOM 440 CG GLN A 95 56.872 49.098 136.422 1.00 0.00 C ATOM 441 CD GLN A 95 57.817 49.445 135.289 1.00 0.00 C ATOM 442 OE1 GLN A 95 57.417 49.505 134.127 1.00 0.00 O ATOM 443 NE2 GLN A 95 59.115 49.656 135.638 1.00 0.00 N ATOM 0 H GLN A 95 53.593 48.770 136.516 1.00 0.00 H new ATOM 0 HA GLN A 95 55.322 48.780 134.135 1.00 0.00 H new ATOM 0 HB2 GLN A 95 55.628 47.405 136.851 1.00 0.00 H new ATOM 0 HB3 GLN A 95 56.719 47.168 135.501 1.00 0.00 H new ATOM 0 HG2 GLN A 95 56.220 49.941 136.651 1.00 0.00 H new ATOM 0 HG3 GLN A 95 57.429 48.870 137.331 1.00 0.00 H new ATOM 0 HE21 GLN A 95 59.396 49.595 136.616 1.00 0.00 H new ATOM 0 HE22 GLN A 95 59.807 49.875 134.921 1.00 0.00 H new ATOM 452 N LEU A 96 52.956 46.957 134.407 1.00 0.00 N ATOM 453 CA LEU A 96 52.239 45.755 134.091 1.00 0.00 C ATOM 454 C LEU A 96 52.714 45.306 132.740 1.00 0.00 C ATOM 455 O LEU A 96 52.766 46.109 131.810 1.00 0.00 O ATOM 456 CB LEU A 96 50.721 46.044 134.022 1.00 0.00 C ATOM 457 CG LEU A 96 49.773 44.863 133.733 1.00 0.00 C ATOM 458 CD1 LEU A 96 49.988 44.259 132.338 1.00 0.00 C ATOM 459 CD2 LEU A 96 49.792 43.842 134.878 1.00 0.00 C ATOM 0 H LEU A 96 52.377 47.796 134.444 1.00 0.00 H new ATOM 0 HA LEU A 96 52.412 44.994 134.851 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.422 46.488 134.971 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.559 46.799 133.252 1.00 0.00 H new ATOM 0 HG LEU A 96 48.755 45.252 133.700 1.00 0.00 H new ATOM 0 HD11 LEU A 96 49.294 43.432 132.189 1.00 0.00 H new ATOM 0 HD12 LEU A 96 49.811 45.022 131.580 1.00 0.00 H new ATOM 0 HD13 LEU A 96 51.012 43.894 132.253 1.00 0.00 H new ATOM 0 HD21 LEU A 96 49.114 43.021 134.645 1.00 0.00 H new ATOM 0 HD22 LEU A 96 50.803 43.453 135.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 49.473 44.325 135.802 1.00 0.00 H new ATOM 471 N THR A 97 53.061 44.003 132.608 1.00 0.00 N ATOM 472 CA THR A 97 53.615 43.452 131.397 1.00 0.00 C ATOM 473 C THR A 97 52.798 42.264 130.973 1.00 0.00 C ATOM 474 O THR A 97 52.377 41.456 131.802 1.00 0.00 O ATOM 475 CB THR A 97 55.003 42.927 131.610 1.00 0.00 C ATOM 476 OG1 THR A 97 55.856 43.970 132.063 1.00 0.00 O ATOM 477 CG2 THR A 97 55.535 42.318 130.302 1.00 0.00 C ATOM 0 H THR A 97 52.955 43.319 133.357 1.00 0.00 H new ATOM 0 HA THR A 97 53.617 44.253 130.658 1.00 0.00 H new ATOM 0 HB THR A 97 54.980 42.149 132.373 1.00 0.00 H new ATOM 0 HG1 THR A 97 56.760 43.617 132.201 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.544 41.938 130.462 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.884 41.501 129.990 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.554 43.083 129.526 1.00 0.00 H new ATOM 485 N ILE A 98 52.572 42.125 129.646 1.00 0.00 N ATOM 486 CA ILE A 98 51.769 41.058 129.101 1.00 0.00 C ATOM 487 C ILE A 98 52.391 40.556 127.828 1.00 0.00 C ATOM 488 O ILE A 98 53.020 41.317 127.095 1.00 0.00 O ATOM 489 CB ILE A 98 50.407 41.552 128.705 1.00 0.00 C ATOM 490 CG1 ILE A 98 50.534 42.641 127.623 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.670 42.056 129.953 1.00 0.00 C ATOM 492 CD1 ILE A 98 49.185 43.057 127.039 1.00 0.00 C ATOM 0 H ILE A 98 52.950 42.759 128.942 1.00 0.00 H new ATOM 0 HA ILE A 98 51.702 40.288 129.869 1.00 0.00 H new ATOM 0 HB ILE A 98 49.822 40.740 128.274 1.00 0.00 H new ATOM 0 HG12 ILE A 98 51.025 43.515 128.050 1.00 0.00 H new ATOM 0 HG13 ILE A 98 51.175 42.276 126.820 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.681 42.416 129.671 1.00 0.00 H new ATOM 0 HG22 ILE A 98 49.569 41.241 130.670 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.236 42.870 130.406 1.00 0.00 H new ATOM 0 HD11 ILE A 98 49.338 43.826 126.282 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.703 42.192 126.584 1.00 0.00 H new ATOM 0 HD13 ILE A 98 48.550 43.450 127.833 1.00 0.00 H new ATOM 504 N ARG A 99 52.211 39.249 127.528 1.00 0.00 N ATOM 505 CA ARG A 99 52.704 38.689 126.292 1.00 0.00 C ATOM 506 C ARG A 99 51.537 38.730 125.343 1.00 0.00 C ATOM 507 O ARG A 99 50.492 38.140 125.617 1.00 0.00 O ATOM 508 CB ARG A 99 53.143 37.231 126.459 1.00 0.00 C ATOM 509 CG ARG A 99 54.299 37.069 127.446 1.00 0.00 C ATOM 510 CD ARG A 99 55.640 36.838 126.752 1.00 0.00 C ATOM 511 NE ARG A 99 56.329 38.148 126.601 1.00 0.00 N ATOM 512 CZ ARG A 99 57.224 38.314 125.585 1.00 0.00 C ATOM 513 NH1 ARG A 99 57.355 37.340 124.638 1.00 0.00 N ATOM 514 NH2 ARG A 99 57.996 39.438 125.524 1.00 0.00 N ATOM 0 H ARG A 99 51.729 38.584 128.133 1.00 0.00 H new ATOM 0 HA ARG A 99 53.571 39.249 125.943 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.295 36.638 126.800 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.441 36.833 125.489 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.366 37.960 128.070 1.00 0.00 H new ATOM 0 HG3 ARG A 99 54.089 36.231 128.110 1.00 0.00 H new ATOM 0 HD2 ARG A 99 56.255 36.152 127.335 1.00 0.00 H new ATOM 0 HD3 ARG A 99 55.486 36.377 125.776 1.00 0.00 H new ATOM 0 HE ARG A 99 56.135 38.912 127.249 1.00 0.00 H new ATOM 0 HH11 ARG A 99 56.786 36.495 124.693 1.00 0.00 H new ATOM 0 HH12 ARG A 99 58.022 37.457 123.875 1.00 0.00 H new ATOM 0 HH21 ARG A 99 57.905 40.159 126.240 1.00 0.00 H new ATOM 0 HH22 ARG A 99 58.664 39.557 124.762 1.00 0.00 H new ATOM 528 N VAL A 100 51.647 39.564 124.284 1.00 0.00 N ATOM 529 CA VAL A 100 50.619 39.750 123.292 1.00 0.00 C ATOM 530 C VAL A 100 50.595 38.768 122.161 1.00 0.00 C ATOM 531 O VAL A 100 49.532 38.250 121.817 1.00 0.00 O ATOM 532 CB VAL A 100 50.657 41.132 122.720 1.00 0.00 C ATOM 533 CG1 VAL A 100 50.337 42.123 123.854 1.00 0.00 C ATOM 534 CG2 VAL A 100 52.037 41.346 122.083 1.00 0.00 C ATOM 0 H VAL A 100 52.479 40.128 124.112 1.00 0.00 H new ATOM 0 HA VAL A 100 49.705 39.574 123.859 1.00 0.00 H new ATOM 0 HB VAL A 100 49.916 41.289 121.936 1.00 0.00 H new ATOM 0 HG11 VAL A 100 50.358 43.141 123.464 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.347 41.909 124.256 1.00 0.00 H new ATOM 0 HG13 VAL A 100 51.080 42.022 124.646 1.00 0.00 H new ATOM 0 HG21 VAL A 100 52.090 42.348 121.658 1.00 0.00 H new ATOM 0 HG22 VAL A 100 52.810 41.233 122.843 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.192 40.609 121.295 1.00 0.00 H new ATOM 544 N SER A 101 51.752 38.515 121.507 1.00 0.00 N ATOM 545 CA SER A 101 51.689 37.605 120.400 1.00 0.00 C ATOM 546 C SER A 101 53.081 37.309 119.944 1.00 0.00 C ATOM 547 O SER A 101 53.367 37.335 118.748 1.00 0.00 O ATOM 548 CB SER A 101 50.942 38.211 119.207 1.00 0.00 C ATOM 549 OG SER A 101 50.743 37.215 118.219 1.00 0.00 O ATOM 0 H SER A 101 52.668 38.909 121.724 1.00 0.00 H new ATOM 0 HA SER A 101 51.164 36.710 120.735 1.00 0.00 H new ATOM 0 HB2 SER A 101 49.982 38.613 119.531 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.512 39.042 118.791 1.00 0.00 H new ATOM 0 HG SER A 101 51.606 36.820 117.974 1.00 0.00 H new ATOM 555 N GLY A 102 53.968 36.913 120.873 1.00 0.00 N ATOM 556 CA GLY A 102 55.321 36.671 120.479 1.00 0.00 C ATOM 557 C GLY A 102 56.185 37.768 121.012 1.00 0.00 C ATOM 558 O GLY A 102 57.405 37.722 120.855 1.00 0.00 O ATOM 0 H GLY A 102 53.762 36.764 121.861 1.00 0.00 H new ATOM 0 HA2 GLY A 102 55.658 35.707 120.860 1.00 0.00 H new ATOM 0 HA3 GLY A 102 55.395 36.627 119.392 1.00 0.00 H new ATOM 562 N TYR A 103 55.580 38.802 121.635 1.00 0.00 N ATOM 563 CA TYR A 103 56.353 39.865 122.212 1.00 0.00 C ATOM 564 C TYR A 103 55.633 40.364 123.434 1.00 0.00 C ATOM 565 O TYR A 103 54.505 39.950 123.700 1.00 0.00 O ATOM 566 CB TYR A 103 56.641 41.008 121.217 1.00 0.00 C ATOM 567 CG TYR A 103 55.401 41.683 120.739 1.00 0.00 C ATOM 568 CD1 TYR A 103 54.659 41.174 119.693 1.00 0.00 C ATOM 569 CD2 TYR A 103 54.983 42.847 121.343 1.00 0.00 C ATOM 570 CE1 TYR A 103 53.525 41.826 119.263 1.00 0.00 C ATOM 571 CE2 TYR A 103 53.855 43.502 120.916 1.00 0.00 C ATOM 572 CZ TYR A 103 53.123 42.991 119.873 1.00 0.00 C ATOM 573 OH TYR A 103 51.962 43.666 119.431 1.00 0.00 O ATOM 0 H TYR A 103 54.570 38.902 121.738 1.00 0.00 H new ATOM 0 HA TYR A 103 57.332 39.473 122.488 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.289 41.744 121.693 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.186 40.610 120.361 1.00 0.00 H new ATOM 0 HD1 TYR A 103 54.969 40.260 119.209 1.00 0.00 H new ATOM 0 HD2 TYR A 103 55.552 43.252 122.167 1.00 0.00 H new ATOM 0 HE1 TYR A 103 52.949 41.421 118.444 1.00 0.00 H new ATOM 0 HE2 TYR A 103 53.544 44.417 121.399 1.00 0.00 H new ATOM 0 HH TYR A 103 51.825 44.470 119.974 1.00 0.00 H new ATOM 583 N ALA A 104 56.270 41.249 124.238 1.00 0.00 N ATOM 584 CA ALA A 104 55.624 41.723 125.437 1.00 0.00 C ATOM 585 C ALA A 104 55.376 43.191 125.316 1.00 0.00 C ATOM 586 O ALA A 104 56.002 43.877 124.508 1.00 0.00 O ATOM 587 CB ALA A 104 56.437 41.519 126.725 1.00 0.00 C ATOM 0 H ALA A 104 57.202 41.627 124.067 1.00 0.00 H new ATOM 0 HA ALA A 104 54.710 41.135 125.521 1.00 0.00 H new ATOM 0 HB1 ALA A 104 55.874 41.905 127.575 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.629 40.456 126.869 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.385 42.052 126.645 1.00 0.00 H new ATOM 593 N VAL A 105 54.409 43.707 126.107 1.00 0.00 N ATOM 594 CA VAL A 105 54.124 45.103 126.032 1.00 0.00 C ATOM 595 C VAL A 105 53.464 45.518 127.317 1.00 0.00 C ATOM 596 O VAL A 105 52.812 44.710 127.979 1.00 0.00 O ATOM 597 CB VAL A 105 53.243 45.380 124.846 1.00 0.00 C ATOM 598 CG1 VAL A 105 51.974 44.522 124.951 1.00 0.00 C ATOM 599 CG2 VAL A 105 52.984 46.877 124.725 1.00 0.00 C ATOM 0 H VAL A 105 53.847 43.177 126.773 1.00 0.00 H new ATOM 0 HA VAL A 105 55.040 45.678 125.900 1.00 0.00 H new ATOM 0 HB VAL A 105 53.734 45.094 123.916 1.00 0.00 H new ATOM 0 HG11 VAL A 105 51.330 44.718 124.094 1.00 0.00 H new ATOM 0 HG12 VAL A 105 52.248 43.467 124.965 1.00 0.00 H new ATOM 0 HG13 VAL A 105 51.441 44.771 125.869 1.00 0.00 H new ATOM 0 HG21 VAL A 105 52.345 47.067 123.863 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.491 47.235 125.629 1.00 0.00 H new ATOM 0 HG23 VAL A 105 53.931 47.401 124.597 1.00 0.00 H new ATOM 609 N ARG A 106 53.643 46.791 127.731 1.00 0.00 N ATOM 610 CA ARG A 106 52.991 47.219 128.933 1.00 0.00 C ATOM 611 C ARG A 106 51.552 47.392 128.585 1.00 0.00 C ATOM 612 O ARG A 106 51.217 47.819 127.485 1.00 0.00 O ATOM 613 CB ARG A 106 53.485 48.555 129.510 1.00 0.00 C ATOM 614 CG ARG A 106 54.822 48.462 130.243 1.00 0.00 C ATOM 615 CD ARG A 106 56.042 48.406 129.326 1.00 0.00 C ATOM 616 NE ARG A 106 56.138 49.730 128.649 1.00 0.00 N ATOM 617 CZ ARG A 106 56.618 50.816 129.320 1.00 0.00 C ATOM 618 NH1 ARG A 106 56.925 50.729 130.650 1.00 0.00 N ATOM 619 NH2 ARG A 106 56.769 52.002 128.662 1.00 0.00 N ATOM 0 H ARG A 106 54.212 47.494 127.258 1.00 0.00 H new ATOM 0 HA ARG A 106 53.198 46.468 129.695 1.00 0.00 H new ATOM 0 HB2 ARG A 106 53.577 49.277 128.699 1.00 0.00 H new ATOM 0 HB3 ARG A 106 52.732 48.942 130.197 1.00 0.00 H new ATOM 0 HG2 ARG A 106 54.920 49.322 130.905 1.00 0.00 H new ATOM 0 HG3 ARG A 106 54.816 47.573 130.874 1.00 0.00 H new ATOM 0 HD2 ARG A 106 56.946 48.199 129.899 1.00 0.00 H new ATOM 0 HD3 ARG A 106 55.938 47.605 128.594 1.00 0.00 H new ATOM 0 HE ARG A 106 55.843 49.825 127.677 1.00 0.00 H new ATOM 0 HH11 ARG A 106 56.795 49.848 131.147 1.00 0.00 H new ATOM 0 HH12 ARG A 106 57.284 51.546 131.145 1.00 0.00 H new ATOM 0 HH21 ARG A 106 56.523 52.072 127.675 1.00 0.00 H new ATOM 0 HH22 ARG A 106 57.127 52.818 129.158 1.00 0.00 H new ATOM 633 N PHE A 107 50.660 47.079 129.545 1.00 0.00 N ATOM 634 CA PHE A 107 49.236 47.099 129.357 1.00 0.00 C ATOM 635 C PHE A 107 48.789 48.499 129.016 1.00 0.00 C ATOM 636 O PHE A 107 47.962 48.704 128.128 1.00 0.00 O ATOM 637 CB PHE A 107 48.526 46.632 130.651 1.00 0.00 C ATOM 638 CG PHE A 107 47.082 46.335 130.416 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.705 45.231 129.681 1.00 0.00 C ATOM 640 CD2 PHE A 107 46.095 47.124 130.962 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.378 44.939 129.471 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.764 46.836 130.756 1.00 0.00 C ATOM 643 CZ PHE A 107 44.401 45.746 130.004 1.00 0.00 C ATOM 0 H PHE A 107 50.938 46.802 130.486 1.00 0.00 H new ATOM 0 HA PHE A 107 48.976 46.425 128.541 1.00 0.00 H new ATOM 0 HB2 PHE A 107 49.022 45.741 131.036 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.618 47.404 131.415 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.464 44.586 129.264 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.368 47.981 131.560 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.103 44.074 128.886 1.00 0.00 H new ATOM 0 HE2 PHE A 107 44.003 47.470 131.187 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.358 45.525 129.833 1.00 0.00 H new ATOM 653 N ASN A 108 49.357 49.498 129.718 1.00 0.00 N ATOM 654 CA ASN A 108 49.033 50.901 129.597 1.00 0.00 C ATOM 655 C ASN A 108 49.412 51.432 128.249 1.00 0.00 C ATOM 656 O ASN A 108 48.862 52.440 127.812 1.00 0.00 O ATOM 657 CB ASN A 108 49.755 51.789 130.627 1.00 0.00 C ATOM 658 CG ASN A 108 49.161 51.518 131.999 1.00 0.00 C ATOM 659 OD1 ASN A 108 48.066 50.970 132.108 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.895 51.918 133.072 1.00 0.00 N ATOM 0 H ASN A 108 50.085 49.324 130.411 1.00 0.00 H new ATOM 0 HA ASN A 108 47.957 50.946 129.765 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.824 51.575 130.628 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.641 52.841 130.366 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.541 51.767 134.017 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.799 52.369 132.932 1.00 0.00 H new ATOM 667 N SER A 109 50.409 50.827 127.579 1.00 0.00 N ATOM 668 CA SER A 109 50.858 51.339 126.313 1.00 0.00 C ATOM 669 C SER A 109 49.836 51.130 125.230 1.00 0.00 C ATOM 670 O SER A 109 49.879 51.820 124.213 1.00 0.00 O ATOM 671 CB SER A 109 52.162 50.683 125.832 1.00 0.00 C ATOM 672 OG SER A 109 51.921 49.325 125.513 1.00 0.00 O ATOM 0 H SER A 109 50.901 49.995 127.904 1.00 0.00 H new ATOM 0 HA SER A 109 51.023 52.402 126.489 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.545 51.210 124.958 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.925 50.755 126.607 1.00 0.00 H new ATOM 0 HG SER A 109 51.385 48.913 126.222 1.00 0.00 H new ATOM 678 N LEU A 110 48.900 50.170 125.402 1.00 0.00 N ATOM 679 CA LEU A 110 47.939 49.811 124.392 1.00 0.00 C ATOM 680 C LEU A 110 46.804 50.783 124.334 1.00 0.00 C ATOM 681 O LEU A 110 46.526 51.517 125.281 1.00 0.00 O ATOM 682 CB LEU A 110 47.301 48.433 124.634 1.00 0.00 C ATOM 683 CG LEU A 110 48.319 47.283 124.534 1.00 0.00 C ATOM 684 CD1 LEU A 110 47.655 45.917 124.781 1.00 0.00 C ATOM 685 CD2 LEU A 110 49.080 47.353 123.204 1.00 0.00 C ATOM 0 H LEU A 110 48.808 49.630 126.263 1.00 0.00 H new ATOM 0 HA LEU A 110 48.512 49.807 123.465 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.839 48.419 125.621 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.505 48.273 123.907 1.00 0.00 H new ATOM 0 HG LEU A 110 49.057 47.400 125.327 1.00 0.00 H new ATOM 0 HD11 LEU A 110 48.404 45.129 124.702 1.00 0.00 H new ATOM 0 HD12 LEU A 110 47.215 45.901 125.778 1.00 0.00 H new ATOM 0 HD13 LEU A 110 46.875 45.752 124.038 1.00 0.00 H new ATOM 0 HD21 LEU A 110 49.795 46.532 123.151 1.00 0.00 H new ATOM 0 HD22 LEU A 110 48.375 47.274 122.377 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.611 48.302 123.138 1.00 0.00 H new ATOM 697 N THR A 111 46.137 50.788 123.162 1.00 0.00 N ATOM 698 CA THR A 111 44.975 51.562 122.848 1.00 0.00 C ATOM 699 C THR A 111 43.819 50.844 123.461 1.00 0.00 C ATOM 700 O THR A 111 43.903 49.644 123.726 1.00 0.00 O ATOM 701 CB THR A 111 44.716 51.560 121.368 1.00 0.00 C ATOM 702 OG1 THR A 111 45.779 52.186 120.673 1.00 0.00 O ATOM 703 CG2 THR A 111 43.370 52.223 121.054 1.00 0.00 C ATOM 0 H THR A 111 46.434 50.207 122.378 1.00 0.00 H new ATOM 0 HA THR A 111 45.110 52.584 123.202 1.00 0.00 H new ATOM 0 HB THR A 111 44.663 50.526 121.027 1.00 0.00 H new ATOM 0 HG1 THR A 111 45.593 52.173 119.711 1.00 0.00 H new ATOM 0 HG21 THR A 111 43.201 52.212 119.977 1.00 0.00 H new ATOM 0 HG22 THR A 111 42.570 51.676 121.553 1.00 0.00 H new ATOM 0 HG23 THR A 111 43.381 53.254 121.409 1.00 0.00 H new ATOM 711 N PRO A 112 42.734 51.521 123.709 1.00 0.00 N ATOM 712 CA PRO A 112 41.626 50.792 124.243 1.00 0.00 C ATOM 713 C PRO A 112 41.114 49.766 123.283 1.00 0.00 C ATOM 714 O PRO A 112 40.532 48.777 123.724 1.00 0.00 O ATOM 715 CB PRO A 112 40.640 51.844 124.739 1.00 0.00 C ATOM 716 CG PRO A 112 41.574 52.988 125.183 1.00 0.00 C ATOM 717 CD PRO A 112 42.805 52.862 124.265 1.00 0.00 C ATOM 0 HA PRO A 112 41.889 50.160 125.091 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.954 52.161 123.953 1.00 0.00 H new ATOM 0 HB3 PRO A 112 40.031 51.473 125.563 1.00 0.00 H new ATOM 0 HG2 PRO A 112 41.093 53.959 125.070 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.850 52.890 126.233 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.787 53.616 123.478 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.729 53.007 124.824 1.00 0.00 H new ATOM 725 N GLU A 113 41.295 49.982 121.970 1.00 0.00 N ATOM 726 CA GLU A 113 40.871 49.029 120.985 1.00 0.00 C ATOM 727 C GLU A 113 41.746 47.814 121.086 1.00 0.00 C ATOM 728 O GLU A 113 41.273 46.679 121.023 1.00 0.00 O ATOM 729 CB GLU A 113 40.959 49.648 119.579 1.00 0.00 C ATOM 730 CG GLU A 113 40.525 48.738 118.432 1.00 0.00 C ATOM 731 CD GLU A 113 40.231 49.623 117.227 1.00 0.00 C ATOM 732 OE1 GLU A 113 41.061 50.516 116.910 1.00 0.00 O ATOM 733 OE2 GLU A 113 39.151 49.414 116.614 1.00 0.00 O ATOM 0 H GLU A 113 41.736 50.818 121.586 1.00 0.00 H new ATOM 0 HA GLU A 113 39.834 48.744 121.162 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.344 50.548 119.558 1.00 0.00 H new ATOM 0 HB3 GLU A 113 41.988 49.961 119.402 1.00 0.00 H new ATOM 0 HG2 GLU A 113 41.309 48.019 118.196 1.00 0.00 H new ATOM 0 HG3 GLU A 113 39.641 48.165 118.711 1.00 0.00 H new ATOM 740 N GLN A 114 43.058 48.040 121.263 1.00 0.00 N ATOM 741 CA GLN A 114 44.054 47.012 121.364 1.00 0.00 C ATOM 742 C GLN A 114 43.824 46.217 122.618 1.00 0.00 C ATOM 743 O GLN A 114 44.003 45.000 122.629 1.00 0.00 O ATOM 744 CB GLN A 114 45.466 47.629 121.365 1.00 0.00 C ATOM 745 CG GLN A 114 45.762 48.348 120.043 1.00 0.00 C ATOM 746 CD GLN A 114 47.086 49.092 120.138 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.744 49.085 121.178 1.00 0.00 O ATOM 748 NE2 GLN A 114 47.485 49.767 119.027 1.00 0.00 N ATOM 0 H GLN A 114 43.446 48.980 121.340 1.00 0.00 H new ATOM 0 HA GLN A 114 43.976 46.350 120.502 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.557 48.333 122.192 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.207 46.847 121.529 1.00 0.00 H new ATOM 0 HG2 GLN A 114 45.799 47.626 119.228 1.00 0.00 H new ATOM 0 HG3 GLN A 114 44.958 49.048 119.813 1.00 0.00 H new ATOM 0 HE21 GLN A 114 46.910 49.747 118.185 1.00 0.00 H new ATOM 0 HE22 GLN A 114 48.359 50.293 119.036 1.00 0.00 H new ATOM 757 N GLN A 115 43.434 46.894 123.717 1.00 0.00 N ATOM 758 CA GLN A 115 43.173 46.241 124.973 1.00 0.00 C ATOM 759 C GLN A 115 41.962 45.371 124.852 1.00 0.00 C ATOM 760 O GLN A 115 41.926 44.276 125.412 1.00 0.00 O ATOM 761 CB GLN A 115 42.849 47.196 126.125 1.00 0.00 C ATOM 762 CG GLN A 115 44.016 48.028 126.646 1.00 0.00 C ATOM 763 CD GLN A 115 43.446 48.830 127.805 1.00 0.00 C ATOM 764 OE1 GLN A 115 42.316 49.311 127.740 1.00 0.00 O ATOM 765 NE2 GLN A 115 44.231 48.964 128.905 1.00 0.00 N ATOM 0 H GLN A 115 43.297 47.905 123.738 1.00 0.00 H new ATOM 0 HA GLN A 115 44.092 45.698 125.193 1.00 0.00 H new ATOM 0 HB2 GLN A 115 42.061 47.875 125.799 1.00 0.00 H new ATOM 0 HB3 GLN A 115 42.445 46.613 126.953 1.00 0.00 H new ATOM 0 HG2 GLN A 115 44.838 47.392 126.974 1.00 0.00 H new ATOM 0 HG3 GLN A 115 44.410 48.683 125.869 1.00 0.00 H new ATOM 0 HE21 GLN A 115 45.163 48.550 128.920 1.00 0.00 H new ATOM 0 HE22 GLN A 115 43.888 49.479 129.716 1.00 0.00 H new ATOM 774 N ARG A 116 40.934 45.834 124.115 1.00 0.00 N ATOM 775 CA ARG A 116 39.722 45.068 124.027 1.00 0.00 C ATOM 776 C ARG A 116 40.076 43.737 123.447 1.00 0.00 C ATOM 777 O ARG A 116 39.494 42.720 123.818 1.00 0.00 O ATOM 778 CB ARG A 116 38.601 45.715 123.174 1.00 0.00 C ATOM 779 CG ARG A 116 37.771 46.760 123.938 1.00 0.00 C ATOM 780 CD ARG A 116 36.652 47.432 123.127 1.00 0.00 C ATOM 781 NE ARG A 116 35.408 46.609 123.237 1.00 0.00 N ATOM 782 CZ ARG A 116 34.265 47.185 123.715 1.00 0.00 C ATOM 783 NH1 ARG A 116 34.299 48.477 124.155 1.00 0.00 N ATOM 784 NH2 ARG A 116 33.096 46.480 123.763 1.00 0.00 N ATOM 0 H ARG A 116 40.936 46.711 123.594 1.00 0.00 H new ATOM 0 HA ARG A 116 39.311 44.999 125.034 1.00 0.00 H new ATOM 0 HB2 ARG A 116 39.048 46.187 122.299 1.00 0.00 H new ATOM 0 HB3 ARG A 116 37.936 44.932 122.808 1.00 0.00 H new ATOM 0 HG2 ARG A 116 37.327 46.280 124.810 1.00 0.00 H new ATOM 0 HG3 ARG A 116 38.444 47.534 124.308 1.00 0.00 H new ATOM 0 HD2 ARG A 116 36.470 48.440 123.500 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.949 47.527 122.083 1.00 0.00 H new ATOM 0 HE ARG A 116 35.413 45.628 122.958 1.00 0.00 H new ATOM 0 HH11 ARG A 116 35.172 49.003 124.125 1.00 0.00 H new ATOM 0 HH12 ARG A 116 33.451 48.916 124.514 1.00 0.00 H new ATOM 0 HH21 ARG A 116 33.070 45.513 123.440 1.00 0.00 H new ATOM 0 HH22 ARG A 116 32.249 46.921 124.122 1.00 0.00 H new ATOM 798 N ASP A 117 41.051 43.719 122.522 1.00 0.00 N ATOM 799 CA ASP A 117 41.518 42.524 121.879 1.00 0.00 C ATOM 800 C ASP A 117 42.053 41.585 122.923 1.00 0.00 C ATOM 801 O ASP A 117 41.730 40.398 122.926 1.00 0.00 O ATOM 802 CB ASP A 117 42.697 42.862 120.944 1.00 0.00 C ATOM 803 CG ASP A 117 43.205 41.637 120.194 1.00 0.00 C ATOM 804 OD1 ASP A 117 42.411 40.682 119.988 1.00 0.00 O ATOM 805 OD2 ASP A 117 44.400 41.655 119.798 1.00 0.00 O ATOM 0 H ASP A 117 41.532 44.562 122.209 1.00 0.00 H new ATOM 0 HA ASP A 117 40.693 42.081 121.322 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.384 43.621 120.227 1.00 0.00 H new ATOM 0 HB3 ASP A 117 43.511 43.292 121.528 1.00 0.00 H new ATOM 810 N VAL A 118 42.887 42.095 123.852 1.00 0.00 N ATOM 811 CA VAL A 118 43.519 41.238 124.822 1.00 0.00 C ATOM 812 C VAL A 118 42.523 40.592 125.741 1.00 0.00 C ATOM 813 O VAL A 118 42.504 39.371 125.882 1.00 0.00 O ATOM 814 CB VAL A 118 44.479 41.952 125.729 1.00 0.00 C ATOM 815 CG1 VAL A 118 44.979 40.937 126.772 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.604 42.587 124.894 1.00 0.00 C ATOM 0 H VAL A 118 43.123 43.084 123.935 1.00 0.00 H new ATOM 0 HA VAL A 118 44.045 40.510 124.205 1.00 0.00 H new ATOM 0 HB VAL A 118 44.004 42.775 126.263 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.680 41.426 127.448 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.132 40.554 127.342 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.479 40.111 126.266 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.300 43.105 125.555 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.135 41.808 124.347 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.176 43.299 124.188 1.00 0.00 H new ATOM 826 N ILE A 119 41.633 41.389 126.360 1.00 0.00 N ATOM 827 CA ILE A 119 40.742 40.862 127.360 1.00 0.00 C ATOM 828 C ILE A 119 39.857 39.806 126.783 1.00 0.00 C ATOM 829 O ILE A 119 39.480 38.871 127.485 1.00 0.00 O ATOM 830 CB ILE A 119 39.901 41.909 128.028 1.00 0.00 C ATOM 831 CG1 ILE A 119 39.016 42.640 127.006 1.00 0.00 C ATOM 832 CG2 ILE A 119 40.842 42.818 128.832 1.00 0.00 C ATOM 833 CD1 ILE A 119 37.981 43.557 127.652 1.00 0.00 C ATOM 0 H ILE A 119 41.527 42.386 126.175 1.00 0.00 H new ATOM 0 HA ILE A 119 41.386 40.431 128.127 1.00 0.00 H new ATOM 0 HB ILE A 119 39.189 41.469 128.727 1.00 0.00 H new ATOM 0 HG12 ILE A 119 39.649 43.229 126.342 1.00 0.00 H new ATOM 0 HG13 ILE A 119 38.503 41.904 126.387 1.00 0.00 H new ATOM 0 HG21 ILE A 119 40.260 43.593 129.332 1.00 0.00 H new ATOM 0 HG22 ILE A 119 41.372 42.225 129.577 1.00 0.00 H new ATOM 0 HG23 ILE A 119 41.562 43.283 128.159 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.390 44.042 126.875 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.325 42.970 128.294 1.00 0.00 H new ATOM 0 HD13 ILE A 119 38.488 44.315 128.249 1.00 0.00 H new ATOM 845 N ALA A 120 39.471 39.959 125.504 1.00 0.00 N ATOM 846 CA ALA A 120 38.604 39.070 124.777 1.00 0.00 C ATOM 847 C ALA A 120 39.224 37.712 124.614 1.00 0.00 C ATOM 848 O ALA A 120 38.500 36.730 124.469 1.00 0.00 O ATOM 849 CB ALA A 120 38.253 39.588 123.371 1.00 0.00 C ATOM 0 H ALA A 120 39.781 40.750 124.939 1.00 0.00 H new ATOM 0 HA ALA A 120 37.694 39.012 125.374 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.597 38.874 122.873 1.00 0.00 H new ATOM 0 HB2 ALA A 120 37.746 40.550 123.453 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.167 39.708 122.789 1.00 0.00 H new ATOM 855 N ARG A 121 40.571 37.630 124.577 1.00 0.00 N ATOM 856 CA ARG A 121 41.315 36.428 124.300 1.00 0.00 C ATOM 857 C ARG A 121 41.044 35.358 125.322 1.00 0.00 C ATOM 858 O ARG A 121 40.559 35.625 126.419 1.00 0.00 O ATOM 859 CB ARG A 121 42.837 36.676 124.266 1.00 0.00 C ATOM 860 CG ARG A 121 43.285 37.672 123.184 1.00 0.00 C ATOM 861 CD ARG A 121 44.767 38.062 123.286 1.00 0.00 C ATOM 862 NE ARG A 121 45.128 38.888 122.091 1.00 0.00 N ATOM 863 CZ ARG A 121 46.035 39.908 122.194 1.00 0.00 C ATOM 864 NH1 ARG A 121 46.513 40.284 123.416 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.472 40.556 121.074 1.00 0.00 N ATOM 0 H ARG A 121 41.171 38.437 124.748 1.00 0.00 H new ATOM 0 HA ARG A 121 40.979 36.099 123.316 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.156 37.046 125.240 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.346 35.726 124.104 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.099 37.237 122.202 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.675 38.572 123.255 1.00 0.00 H new ATOM 0 HD2 ARG A 121 44.948 38.624 124.202 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.391 37.169 123.331 1.00 0.00 H new ATOM 0 HE ARG A 121 44.693 38.689 121.190 1.00 0.00 H new ATOM 0 HH11 ARG A 121 46.194 39.804 124.258 1.00 0.00 H new ATOM 0 HH12 ARG A 121 47.189 41.045 123.487 1.00 0.00 H new ATOM 0 HH21 ARG A 121 46.122 40.280 120.156 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.148 41.316 121.155 1.00 0.00 H new ATOM 879 N THR A 122 41.334 34.086 124.950 1.00 0.00 N ATOM 880 CA THR A 122 41.082 32.963 125.808 1.00 0.00 C ATOM 881 C THR A 122 42.040 32.924 126.952 1.00 0.00 C ATOM 882 O THR A 122 43.254 33.073 126.806 1.00 0.00 O ATOM 883 CB THR A 122 41.085 31.632 125.098 1.00 0.00 C ATOM 884 OG1 THR A 122 42.297 31.432 124.376 1.00 0.00 O ATOM 885 CG2 THR A 122 39.888 31.593 124.146 1.00 0.00 C ATOM 0 H THR A 122 41.745 33.840 124.050 1.00 0.00 H new ATOM 0 HA THR A 122 40.070 33.119 126.181 1.00 0.00 H new ATOM 0 HB THR A 122 41.011 30.831 125.834 1.00 0.00 H new ATOM 0 HG1 THR A 122 42.271 30.561 123.928 1.00 0.00 H new ATOM 0 HG21 THR A 122 39.871 30.638 123.622 1.00 0.00 H new ATOM 0 HG22 THR A 122 38.966 31.711 124.716 1.00 0.00 H new ATOM 0 HG23 THR A 122 39.973 32.403 123.422 1.00 0.00 H new ATOM 893 N PHE A 123 41.466 32.748 128.154 1.00 0.00 N ATOM 894 CA PHE A 123 42.225 32.591 129.352 1.00 0.00 C ATOM 895 C PHE A 123 42.077 31.144 129.639 1.00 0.00 C ATOM 896 O PHE A 123 40.998 30.694 130.020 1.00 0.00 O ATOM 897 CB PHE A 123 41.623 33.351 130.547 1.00 0.00 C ATOM 898 CG PHE A 123 41.719 34.817 130.273 1.00 0.00 C ATOM 899 CD1 PHE A 123 40.805 35.443 129.454 1.00 0.00 C ATOM 900 CD2 PHE A 123 42.721 35.557 130.855 1.00 0.00 C ATOM 901 CE1 PHE A 123 40.897 36.793 129.210 1.00 0.00 C ATOM 902 CE2 PHE A 123 42.821 36.905 130.616 1.00 0.00 C ATOM 903 CZ PHE A 123 41.908 37.522 129.792 1.00 0.00 C ATOM 0 H PHE A 123 40.456 32.714 128.296 1.00 0.00 H new ATOM 0 HA PHE A 123 43.242 32.961 129.222 1.00 0.00 H new ATOM 0 HB2 PHE A 123 40.583 33.061 130.696 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.158 33.101 131.463 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.010 34.869 129.000 1.00 0.00 H new ATOM 0 HD2 PHE A 123 43.435 35.074 131.505 1.00 0.00 H new ATOM 0 HE1 PHE A 123 40.180 37.278 128.565 1.00 0.00 H new ATOM 0 HE2 PHE A 123 43.613 37.479 131.073 1.00 0.00 H new ATOM 0 HZ PHE A 123 41.985 38.582 129.602 1.00 0.00 H new