USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0844 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -50:sc= 0.25 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0.336 (180deg=0.303) USER MOD Single : A 34 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0278) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0527 (180deg=-0.356) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.482 -0.592 -1.026 1.00 60.40 C ATOM 4 O MET A 1 3.900 -0.820 0.109 1.00 40.12 O ATOM 5 CB MET A 1 2.212 1.421 -1.794 1.00 14.42 C ATOM 6 CG MET A 1 2.381 1.476 -3.303 1.00 72.44 C ATOM 7 SD MET A 1 1.683 2.972 -4.027 1.00 54.13 S ATOM 8 CE MET A 1 0.505 2.272 -5.181 1.00 53.40 C ATOM 0 H1 MET A 1 0.428 -0.497 -0.147 1.00 0.00 H new ATOM 0 H2 MET A 1 1.874 -0.482 0.743 1.00 0.00 H new ATOM 0 H3 MET A 1 1.140 0.981 0.291 1.00 0.00 H new ATOM 0 HA MET A 1 1.562 -0.621 -1.965 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.322 1.985 -1.516 1.00 14.42 H new ATOM 0 HB3 MET A 1 3.062 1.914 -1.323 1.00 14.42 H new ATOM 0 HG2 MET A 1 3.442 1.419 -3.548 1.00 72.44 H new ATOM 0 HG3 MET A 1 1.904 0.604 -3.750 1.00 72.44 H new ATOM 0 HE1 MET A 1 -0.009 3.076 -5.708 1.00 53.40 H new ATOM 0 HE2 MET A 1 1.030 1.644 -5.901 1.00 53.40 H new ATOM 0 HE3 MET A 1 -0.223 1.670 -4.637 1.00 53.40 H new ATOM 18 N ALA A 2 4.192 -0.839 -2.122 1.00 23.42 N ATOM 19 CA ALA A 2 5.535 -1.403 -2.051 1.00 53.11 C ATOM 20 C ALA A 2 6.559 -0.336 -1.681 1.00 43.33 C ATOM 21 O ALA A 2 7.289 0.162 -2.538 1.00 32.31 O ATOM 22 CB ALA A 2 5.904 -2.055 -3.375 1.00 73.22 C ATOM 0 H ALA A 2 3.860 -0.658 -3.069 1.00 23.42 H new ATOM 0 HA ALA A 2 5.543 -2.163 -1.270 1.00 53.11 H new ATOM 0 HB1 ALA A 2 6.909 -2.472 -3.308 1.00 73.22 H new ATOM 0 HB2 ALA A 2 5.195 -2.852 -3.598 1.00 73.22 H new ATOM 0 HB3 ALA A 2 5.873 -1.309 -4.169 1.00 73.22 H new ATOM 28 N GLY A 3 6.608 0.013 -0.399 1.00 30.41 N ATOM 29 CA GLY A 3 7.546 1.020 0.061 1.00 21.42 C ATOM 30 C GLY A 3 8.988 0.625 -0.188 1.00 44.52 C ATOM 31 O GLY A 3 9.877 1.477 -0.213 1.00 1.25 O ATOM 0 H GLY A 3 6.014 -0.384 0.329 1.00 30.41 H new ATOM 0 HA2 GLY A 3 7.338 1.963 -0.444 1.00 21.42 H new ATOM 0 HA3 GLY A 3 7.398 1.190 1.127 1.00 21.42 H new ATOM 35 N PHE A 4 9.223 -0.670 -0.372 1.00 52.44 N ATOM 36 CA PHE A 4 10.568 -1.176 -0.618 1.00 42.54 C ATOM 37 C PHE A 4 11.162 -0.552 -1.878 1.00 73.24 C ATOM 38 O PHE A 4 12.323 -0.143 -1.894 1.00 43.44 O ATOM 39 CB PHE A 4 10.546 -2.700 -0.751 1.00 44.34 C ATOM 40 CG PHE A 4 11.836 -3.275 -1.261 1.00 65.43 C ATOM 41 CD1 PHE A 4 12.846 -3.633 -0.383 1.00 3.24 C ATOM 42 CD2 PHE A 4 12.040 -3.459 -2.620 1.00 14.33 C ATOM 43 CE1 PHE A 4 14.035 -4.163 -0.849 1.00 34.35 C ATOM 44 CE2 PHE A 4 13.225 -3.989 -3.091 1.00 65.14 C ATOM 45 CZ PHE A 4 14.225 -4.341 -2.205 1.00 13.41 C ATOM 0 H PHE A 4 8.499 -1.388 -0.355 1.00 52.44 H new ATOM 0 HA PHE A 4 11.194 -0.902 0.231 1.00 42.54 H new ATOM 0 HB2 PHE A 4 10.321 -3.138 0.221 1.00 44.34 H new ATOM 0 HB3 PHE A 4 9.738 -2.986 -1.424 1.00 44.34 H new ATOM 0 HD1 PHE A 4 12.703 -3.496 0.679 1.00 3.24 H new ATOM 0 HD2 PHE A 4 11.263 -3.185 -3.318 1.00 14.33 H new ATOM 0 HE1 PHE A 4 14.814 -4.437 -0.153 1.00 34.35 H new ATOM 0 HE2 PHE A 4 13.370 -4.128 -4.152 1.00 65.14 H new ATOM 0 HZ PHE A 4 15.153 -4.754 -2.572 1.00 13.41 H new ATOM 55 N LEU A 5 10.357 -0.484 -2.933 1.00 31.40 N ATOM 56 CA LEU A 5 10.801 0.088 -4.199 1.00 42.30 C ATOM 57 C LEU A 5 10.931 1.604 -4.095 1.00 4.41 C ATOM 58 O LEU A 5 11.705 2.224 -4.826 1.00 33.12 O ATOM 59 CB LEU A 5 9.823 -0.275 -5.317 1.00 72.42 C ATOM 60 CG LEU A 5 9.928 -1.699 -5.865 1.00 25.22 C ATOM 61 CD1 LEU A 5 8.549 -2.326 -5.991 1.00 32.42 C ATOM 62 CD2 LEU A 5 10.642 -1.702 -7.209 1.00 24.03 C ATOM 0 H LEU A 5 9.393 -0.818 -2.936 1.00 31.40 H new ATOM 0 HA LEU A 5 11.781 -0.328 -4.433 1.00 42.30 H new ATOM 0 HB2 LEU A 5 8.809 -0.123 -4.949 1.00 72.42 H new ATOM 0 HB3 LEU A 5 9.970 0.422 -6.142 1.00 72.42 H new ATOM 0 HG LEU A 5 10.512 -2.295 -5.164 1.00 25.22 H new ATOM 0 HD11 LEU A 5 8.644 -3.339 -6.382 1.00 32.42 H new ATOM 0 HD12 LEU A 5 8.073 -2.359 -5.011 1.00 32.42 H new ATOM 0 HD13 LEU A 5 7.939 -1.730 -6.670 1.00 32.42 H new ATOM 0 HD21 LEU A 5 10.708 -2.723 -7.584 1.00 24.03 H new ATOM 0 HD22 LEU A 5 10.085 -1.090 -7.918 1.00 24.03 H new ATOM 0 HD23 LEU A 5 11.646 -1.294 -7.089 1.00 24.03 H new ATOM 74 N LYS A 6 10.171 2.197 -3.180 1.00 64.11 N ATOM 75 CA LYS A 6 10.203 3.640 -2.976 1.00 44.35 C ATOM 76 C LYS A 6 11.442 4.051 -2.186 1.00 14.00 C ATOM 77 O LYS A 6 12.126 5.011 -2.540 1.00 1.11 O ATOM 78 CB LYS A 6 8.941 4.101 -2.243 1.00 64.34 C ATOM 79 CG LYS A 6 8.510 5.512 -2.603 1.00 32.13 C ATOM 80 CD LYS A 6 7.342 5.973 -1.747 1.00 73.21 C ATOM 81 CE LYS A 6 6.056 5.252 -2.124 1.00 24.02 C ATOM 82 NZ LYS A 6 5.047 5.310 -1.030 1.00 40.24 N ATOM 0 H LYS A 6 9.525 1.699 -2.567 1.00 64.11 H new ATOM 0 HA LYS A 6 10.242 4.119 -3.954 1.00 44.35 H new ATOM 0 HB2 LYS A 6 8.127 3.412 -2.470 1.00 64.34 H new ATOM 0 HB3 LYS A 6 9.115 4.046 -1.168 1.00 64.34 H new ATOM 0 HG2 LYS A 6 9.350 6.195 -2.473 1.00 32.13 H new ATOM 0 HG3 LYS A 6 8.229 5.550 -3.655 1.00 32.13 H new ATOM 0 HD2 LYS A 6 7.567 5.793 -0.696 1.00 73.21 H new ATOM 0 HD3 LYS A 6 7.206 7.048 -1.864 1.00 73.21 H new ATOM 0 HE2 LYS A 6 5.640 5.700 -3.026 1.00 24.02 H new ATOM 0 HE3 LYS A 6 6.278 4.211 -2.358 1.00 24.02 H new ATOM 0 HZ1 LYS A 6 4.185 4.808 -1.325 1.00 40.24 H new ATOM 0 HZ2 LYS A 6 5.435 4.860 -0.176 1.00 40.24 H new ATOM 0 HZ3 LYS A 6 4.815 6.303 -0.824 1.00 40.24 H new ATOM 96 N VAL A 7 11.725 3.317 -1.115 1.00 34.05 N ATOM 97 CA VAL A 7 12.882 3.603 -0.275 1.00 40.55 C ATOM 98 C VAL A 7 14.181 3.428 -1.053 1.00 44.34 C ATOM 99 O VAL A 7 15.205 4.024 -0.716 1.00 54.33 O ATOM 100 CB VAL A 7 12.914 2.694 0.967 1.00 73.41 C ATOM 101 CG1 VAL A 7 11.684 2.927 1.831 1.00 1.14 C ATOM 102 CG2 VAL A 7 13.016 1.233 0.555 1.00 61.15 C ATOM 0 H VAL A 7 11.168 2.519 -0.808 1.00 34.05 H new ATOM 0 HA VAL A 7 12.790 4.640 0.047 1.00 40.55 H new ATOM 0 HB VAL A 7 13.796 2.945 1.556 1.00 73.41 H new ATOM 0 HG11 VAL A 7 11.724 2.276 2.704 1.00 1.14 H new ATOM 0 HG12 VAL A 7 11.659 3.967 2.155 1.00 1.14 H new ATOM 0 HG13 VAL A 7 10.786 2.705 1.254 1.00 1.14 H new ATOM 0 HG21 VAL A 7 13.037 0.605 1.445 1.00 61.15 H new ATOM 0 HG22 VAL A 7 12.154 0.966 -0.057 1.00 61.15 H new ATOM 0 HG23 VAL A 7 13.930 1.080 -0.019 1.00 61.15 H new ATOM 112 N VAL A 8 14.134 2.607 -2.097 1.00 72.32 N ATOM 113 CA VAL A 8 15.307 2.354 -2.925 1.00 71.32 C ATOM 114 C VAL A 8 15.471 3.432 -3.990 1.00 0.40 C ATOM 115 O VAL A 8 16.575 3.675 -4.476 1.00 63.41 O ATOM 116 CB VAL A 8 15.223 0.978 -3.613 1.00 33.15 C ATOM 117 CG1 VAL A 8 16.416 0.766 -4.531 1.00 62.23 C ATOM 118 CG2 VAL A 8 15.134 -0.131 -2.575 1.00 24.10 C ATOM 0 H VAL A 8 13.295 2.105 -2.390 1.00 72.32 H new ATOM 0 HA VAL A 8 16.171 2.368 -2.261 1.00 71.32 H new ATOM 0 HB VAL A 8 14.319 0.949 -4.221 1.00 33.15 H new ATOM 0 HG11 VAL A 8 16.339 -0.211 -5.008 1.00 62.23 H new ATOM 0 HG12 VAL A 8 16.429 1.543 -5.295 1.00 62.23 H new ATOM 0 HG13 VAL A 8 17.336 0.814 -3.949 1.00 62.23 H new ATOM 0 HG21 VAL A 8 15.075 -1.096 -3.078 1.00 24.10 H new ATOM 0 HG22 VAL A 8 16.019 -0.106 -1.939 1.00 24.10 H new ATOM 0 HG23 VAL A 8 14.244 0.014 -1.963 1.00 24.10 H new ATOM 128 N GLN A 9 14.365 4.077 -4.347 1.00 32.11 N ATOM 129 CA GLN A 9 14.387 5.130 -5.355 1.00 14.32 C ATOM 130 C GLN A 9 15.229 6.313 -4.888 1.00 64.34 C ATOM 131 O GLN A 9 15.861 6.996 -5.696 1.00 73.20 O ATOM 132 CB GLN A 9 12.963 5.595 -5.668 1.00 3.32 C ATOM 133 CG GLN A 9 12.286 4.787 -6.763 1.00 21.34 C ATOM 134 CD GLN A 9 11.338 5.620 -7.602 1.00 43.23 C ATOM 135 OE1 GLN A 9 11.169 6.817 -7.365 1.00 32.50 O ATOM 136 NE2 GLN A 9 10.714 4.991 -8.591 1.00 42.34 N ATOM 0 H GLN A 9 13.443 3.889 -3.953 1.00 32.11 H new ATOM 0 HA GLN A 9 14.836 4.722 -6.260 1.00 14.32 H new ATOM 0 HB2 GLN A 9 12.363 5.536 -4.760 1.00 3.32 H new ATOM 0 HB3 GLN A 9 12.989 6.643 -5.965 1.00 3.32 H new ATOM 0 HG2 GLN A 9 13.047 4.349 -7.409 1.00 21.34 H new ATOM 0 HG3 GLN A 9 11.736 3.961 -6.312 1.00 21.34 H new ATOM 0 HE21 GLN A 9 10.884 3.998 -8.751 1.00 42.34 H new ATOM 0 HE22 GLN A 9 10.065 5.501 -9.190 1.00 42.34 H new ATOM 145 N LEU A 10 15.235 6.550 -3.581 1.00 61.43 N ATOM 146 CA LEU A 10 16.001 7.650 -3.007 1.00 15.55 C ATOM 147 C LEU A 10 17.497 7.364 -3.068 1.00 64.45 C ATOM 148 O LEU A 10 18.308 8.273 -3.253 1.00 34.04 O ATOM 149 CB LEU A 10 15.575 7.891 -1.557 1.00 4.10 C ATOM 150 CG LEU A 10 14.087 8.155 -1.329 1.00 75.11 C ATOM 151 CD1 LEU A 10 13.824 8.509 0.126 1.00 33.54 C ATOM 152 CD2 LEU A 10 13.595 9.265 -2.247 1.00 21.03 C ATOM 0 H LEU A 10 14.718 5.995 -2.899 1.00 61.43 H new ATOM 0 HA LEU A 10 15.798 8.546 -3.594 1.00 15.55 H new ATOM 0 HB2 LEU A 10 15.864 7.022 -0.966 1.00 4.10 H new ATOM 0 HB3 LEU A 10 16.137 8.741 -1.171 1.00 4.10 H new ATOM 0 HG LEU A 10 13.536 7.244 -1.565 1.00 75.11 H new ATOM 0 HD11 LEU A 10 12.759 8.694 0.269 1.00 33.54 H new ATOM 0 HD12 LEU A 10 14.138 7.683 0.764 1.00 33.54 H new ATOM 0 HD13 LEU A 10 14.386 9.405 0.390 1.00 33.54 H new ATOM 0 HD21 LEU A 10 12.534 9.439 -2.071 1.00 21.03 H new ATOM 0 HD22 LEU A 10 14.152 10.180 -2.043 1.00 21.03 H new ATOM 0 HD23 LEU A 10 13.747 8.972 -3.286 1.00 21.03 H new ATOM 164 N LEU A 11 17.858 6.094 -2.916 1.00 11.32 N ATOM 165 CA LEU A 11 19.258 5.686 -2.957 1.00 10.34 C ATOM 166 C LEU A 11 19.910 6.109 -4.269 1.00 61.53 C ATOM 167 O LEU A 11 21.127 6.276 -4.344 1.00 30.44 O ATOM 168 CB LEU A 11 19.373 4.171 -2.781 1.00 5.23 C ATOM 169 CG LEU A 11 19.527 3.672 -1.344 1.00 14.05 C ATOM 170 CD1 LEU A 11 20.778 4.255 -0.706 1.00 42.44 C ATOM 171 CD2 LEU A 11 18.294 4.024 -0.523 1.00 25.23 C ATOM 0 H LEU A 11 17.200 5.329 -2.763 1.00 11.32 H new ATOM 0 HA LEU A 11 19.780 6.181 -2.138 1.00 10.34 H new ATOM 0 HB2 LEU A 11 18.486 3.707 -3.212 1.00 5.23 H new ATOM 0 HB3 LEU A 11 20.229 3.822 -3.359 1.00 5.23 H new ATOM 0 HG LEU A 11 19.628 2.587 -1.366 1.00 14.05 H new ATOM 0 HD11 LEU A 11 20.870 3.888 0.316 1.00 42.44 H new ATOM 0 HD12 LEU A 11 21.654 3.953 -1.280 1.00 42.44 H new ATOM 0 HD13 LEU A 11 20.708 5.343 -0.696 1.00 42.44 H new ATOM 0 HD21 LEU A 11 18.420 3.661 0.497 1.00 25.23 H new ATOM 0 HD22 LEU A 11 18.162 5.106 -0.510 1.00 25.23 H new ATOM 0 HD23 LEU A 11 17.415 3.557 -0.968 1.00 25.23 H new ATOM 183 N ALA A 12 19.092 6.281 -5.302 1.00 15.31 N ATOM 184 CA ALA A 12 19.588 6.688 -6.611 1.00 1.35 C ATOM 185 C ALA A 12 20.432 7.954 -6.508 1.00 53.51 C ATOM 186 O ALA A 12 21.338 8.176 -7.312 1.00 14.42 O ATOM 187 CB ALA A 12 18.428 6.901 -7.572 1.00 64.13 C ATOM 0 H ALA A 12 18.082 6.145 -5.258 1.00 15.31 H new ATOM 0 HA ALA A 12 20.222 5.890 -6.997 1.00 1.35 H new ATOM 0 HB1 ALA A 12 18.813 7.205 -8.545 1.00 64.13 H new ATOM 0 HB2 ALA A 12 17.867 5.972 -7.677 1.00 64.13 H new ATOM 0 HB3 ALA A 12 17.771 7.679 -7.183 1.00 64.13 H new ATOM 193 N LYS A 13 20.128 8.783 -5.515 1.00 3.22 N ATOM 194 CA LYS A 13 20.859 10.028 -5.306 1.00 34.20 C ATOM 195 C LYS A 13 22.247 9.755 -4.737 1.00 22.11 C ATOM 196 O LYS A 13 23.198 10.484 -5.018 1.00 43.44 O ATOM 197 CB LYS A 13 20.081 10.947 -4.362 1.00 14.40 C ATOM 198 CG LYS A 13 20.125 10.506 -2.909 1.00 42.13 C ATOM 199 CD LYS A 13 21.255 11.186 -2.154 1.00 60.03 C ATOM 200 CE LYS A 13 20.789 12.476 -1.497 1.00 31.24 C ATOM 201 NZ LYS A 13 21.919 13.415 -1.255 1.00 40.00 N ATOM 0 H LYS A 13 19.380 8.615 -4.842 1.00 3.22 H new ATOM 0 HA LYS A 13 20.972 10.520 -6.272 1.00 34.20 H new ATOM 0 HB2 LYS A 13 20.484 11.957 -4.439 1.00 14.40 H new ATOM 0 HB3 LYS A 13 19.042 10.992 -4.688 1.00 14.40 H new ATOM 0 HG2 LYS A 13 19.174 10.737 -2.429 1.00 42.13 H new ATOM 0 HG3 LYS A 13 20.252 9.425 -2.860 1.00 42.13 H new ATOM 0 HD2 LYS A 13 21.645 10.509 -1.394 1.00 60.03 H new ATOM 0 HD3 LYS A 13 22.075 11.401 -2.840 1.00 60.03 H new ATOM 0 HE2 LYS A 13 20.045 12.959 -2.131 1.00 31.24 H new ATOM 0 HE3 LYS A 13 20.299 12.245 -0.551 1.00 31.24 H new ATOM 0 HZ1 LYS A 13 21.560 14.282 -0.806 1.00 40.00 H new ATOM 0 HZ2 LYS A 13 22.617 12.964 -0.629 1.00 40.00 H new ATOM 0 HZ3 LYS A 13 22.371 13.656 -2.160 1.00 40.00 H new ATOM 215 N TYR A 14 22.357 8.700 -3.937 1.00 12.20 N ATOM 216 CA TYR A 14 23.629 8.332 -3.328 1.00 23.21 C ATOM 217 C TYR A 14 24.572 7.722 -4.361 1.00 53.22 C ATOM 218 O TYR A 14 25.784 7.926 -4.309 1.00 71.32 O ATOM 219 CB TYR A 14 23.403 7.344 -2.182 1.00 42.00 C ATOM 220 CG TYR A 14 23.022 8.007 -0.878 1.00 22.25 C ATOM 221 CD1 TYR A 14 23.977 8.642 -0.093 1.00 51.23 C ATOM 222 CD2 TYR A 14 21.707 7.998 -0.430 1.00 12.42 C ATOM 223 CE1 TYR A 14 23.633 9.248 1.100 1.00 43.25 C ATOM 224 CE2 TYR A 14 21.354 8.603 0.761 1.00 13.21 C ATOM 225 CZ TYR A 14 22.321 9.226 1.522 1.00 15.33 C ATOM 226 OH TYR A 14 21.974 9.830 2.709 1.00 11.13 O ATOM 0 H TYR A 14 21.580 8.085 -3.695 1.00 12.20 H new ATOM 0 HA TYR A 14 24.089 9.238 -2.933 1.00 23.21 H new ATOM 0 HB2 TYR A 14 22.618 6.643 -2.467 1.00 42.00 H new ATOM 0 HB3 TYR A 14 24.311 6.761 -2.032 1.00 42.00 H new ATOM 0 HD1 TYR A 14 25.006 8.662 -0.421 1.00 51.23 H new ATOM 0 HD2 TYR A 14 20.948 7.510 -1.023 1.00 12.42 H new ATOM 0 HE1 TYR A 14 24.388 9.736 1.699 1.00 43.25 H new ATOM 0 HE2 TYR A 14 20.327 8.588 1.094 1.00 13.21 H new ATOM 0 HH TYR A 14 21.011 9.725 2.860 1.00 11.13 H new ATOM 236 N GLY A 15 24.004 6.973 -5.301 1.00 72.15 N ATOM 237 CA GLY A 15 24.806 6.345 -6.335 1.00 23.12 C ATOM 238 C GLY A 15 24.278 4.980 -6.730 1.00 2.13 C ATOM 239 O GLY A 15 23.067 4.762 -6.765 1.00 62.01 O ATOM 0 H GLY A 15 23.003 6.790 -5.365 1.00 72.15 H new ATOM 0 HA2 GLY A 15 24.830 6.990 -7.213 1.00 23.12 H new ATOM 0 HA3 GLY A 15 25.833 6.246 -5.984 1.00 23.12 H new ATOM 243 N SER A 16 25.188 4.059 -7.029 1.00 65.01 N ATOM 244 CA SER A 16 24.808 2.709 -7.429 1.00 55.41 C ATOM 245 C SER A 16 25.496 1.668 -6.552 1.00 10.10 C ATOM 246 O SER A 16 25.749 0.544 -6.985 1.00 23.32 O ATOM 247 CB SER A 16 25.163 2.471 -8.898 1.00 35.31 C ATOM 248 OG SER A 16 24.500 1.325 -9.403 1.00 75.31 O ATOM 0 H SER A 16 26.194 4.223 -7.002 1.00 65.01 H new ATOM 0 HA SER A 16 23.730 2.609 -7.302 1.00 55.41 H new ATOM 0 HB2 SER A 16 24.887 3.345 -9.488 1.00 35.31 H new ATOM 0 HB3 SER A 16 26.241 2.346 -8.999 1.00 35.31 H new ATOM 0 HG SER A 16 24.644 0.570 -8.795 1.00 75.31 H new ATOM 254 N LYS A 17 25.797 2.051 -5.316 1.00 33.24 N ATOM 255 CA LYS A 17 26.455 1.152 -4.375 1.00 12.23 C ATOM 256 C LYS A 17 25.545 0.845 -3.189 1.00 65.54 C ATOM 257 O LYS A 17 25.380 -0.313 -2.806 1.00 23.10 O ATOM 258 CB LYS A 17 27.765 1.769 -3.880 1.00 12.35 C ATOM 259 CG LYS A 17 28.648 0.794 -3.121 1.00 21.11 C ATOM 260 CD LYS A 17 30.061 1.330 -2.961 1.00 30.51 C ATOM 261 CE LYS A 17 30.850 1.217 -4.257 1.00 13.25 C ATOM 262 NZ LYS A 17 31.337 -0.170 -4.490 1.00 64.34 N ATOM 0 H LYS A 17 25.596 2.978 -4.942 1.00 33.24 H new ATOM 0 HA LYS A 17 26.673 0.219 -4.894 1.00 12.23 H new ATOM 0 HB2 LYS A 17 28.319 2.159 -4.734 1.00 12.35 H new ATOM 0 HB3 LYS A 17 27.536 2.617 -3.235 1.00 12.35 H new ATOM 0 HG2 LYS A 17 28.218 0.601 -2.138 1.00 21.11 H new ATOM 0 HG3 LYS A 17 28.677 -0.159 -3.649 1.00 21.11 H new ATOM 0 HD2 LYS A 17 30.022 2.373 -2.647 1.00 30.51 H new ATOM 0 HD3 LYS A 17 30.573 0.779 -2.173 1.00 30.51 H new ATOM 0 HE2 LYS A 17 30.222 1.527 -5.093 1.00 13.25 H new ATOM 0 HE3 LYS A 17 31.699 1.900 -4.226 1.00 13.25 H new ATOM 0 HZ1 LYS A 17 31.870 -0.206 -5.383 1.00 64.34 H new ATOM 0 HZ2 LYS A 17 31.956 -0.457 -3.705 1.00 64.34 H new ATOM 0 HZ3 LYS A 17 30.526 -0.818 -4.545 1.00 64.34 H new ATOM 276 N ALA A 18 24.957 1.888 -2.614 1.00 41.23 N ATOM 277 CA ALA A 18 24.062 1.728 -1.475 1.00 52.52 C ATOM 278 C ALA A 18 22.721 1.145 -1.908 1.00 61.02 C ATOM 279 O ALA A 18 22.016 0.524 -1.112 1.00 44.50 O ATOM 280 CB ALA A 18 23.857 3.063 -0.774 1.00 31.03 C ATOM 0 H ALA A 18 25.084 2.853 -2.918 1.00 41.23 H new ATOM 0 HA ALA A 18 24.524 1.030 -0.777 1.00 52.52 H new ATOM 0 HB1 ALA A 18 23.186 2.929 0.075 1.00 31.03 H new ATOM 0 HB2 ALA A 18 24.817 3.440 -0.422 1.00 31.03 H new ATOM 0 HB3 ALA A 18 23.420 3.777 -1.472 1.00 31.03 H new ATOM 286 N VAL A 19 22.374 1.349 -3.175 1.00 73.31 N ATOM 287 CA VAL A 19 21.117 0.842 -3.714 1.00 42.31 C ATOM 288 C VAL A 19 21.160 -0.673 -3.877 1.00 11.13 C ATOM 289 O VAL A 19 20.136 -1.347 -3.769 1.00 70.03 O ATOM 290 CB VAL A 19 20.791 1.485 -5.076 1.00 22.35 C ATOM 291 CG1 VAL A 19 21.877 1.164 -6.091 1.00 70.13 C ATOM 292 CG2 VAL A 19 19.431 1.019 -5.572 1.00 32.31 C ATOM 0 H VAL A 19 22.945 1.861 -3.847 1.00 73.31 H new ATOM 0 HA VAL A 19 20.337 1.105 -3.000 1.00 42.31 H new ATOM 0 HB VAL A 19 20.755 2.567 -4.949 1.00 22.35 H new ATOM 0 HG11 VAL A 19 21.630 1.626 -7.047 1.00 70.13 H new ATOM 0 HG12 VAL A 19 22.832 1.552 -5.737 1.00 70.13 H new ATOM 0 HG13 VAL A 19 21.948 0.084 -6.218 1.00 70.13 H new ATOM 0 HG21 VAL A 19 19.216 1.483 -6.535 1.00 32.31 H new ATOM 0 HG22 VAL A 19 19.437 -0.065 -5.684 1.00 32.31 H new ATOM 0 HG23 VAL A 19 18.664 1.305 -4.853 1.00 32.31 H new ATOM 302 N GLN A 20 22.352 -1.201 -4.136 1.00 34.43 N ATOM 303 CA GLN A 20 22.527 -2.638 -4.313 1.00 44.02 C ATOM 304 C GLN A 20 22.166 -3.392 -3.038 1.00 21.31 C ATOM 305 O GLN A 20 21.591 -4.480 -3.090 1.00 44.33 O ATOM 306 CB GLN A 20 23.970 -2.951 -4.714 1.00 1.03 C ATOM 307 CG GLN A 20 24.170 -4.376 -5.205 1.00 54.43 C ATOM 308 CD GLN A 20 25.385 -4.519 -6.101 1.00 34.25 C ATOM 309 OE1 GLN A 20 26.472 -4.869 -5.640 1.00 35.50 O ATOM 310 NE2 GLN A 20 25.207 -4.249 -7.388 1.00 55.04 N ATOM 0 H GLN A 20 23.210 -0.656 -4.228 1.00 34.43 H new ATOM 0 HA GLN A 20 21.857 -2.965 -5.108 1.00 44.02 H new ATOM 0 HB2 GLN A 20 24.279 -2.259 -5.497 1.00 1.03 H new ATOM 0 HB3 GLN A 20 24.622 -2.775 -3.858 1.00 1.03 H new ATOM 0 HG2 GLN A 20 24.275 -5.040 -4.347 1.00 54.43 H new ATOM 0 HG3 GLN A 20 23.282 -4.697 -5.749 1.00 54.43 H new ATOM 0 HE21 GLN A 20 24.289 -3.962 -7.727 1.00 55.04 H new ATOM 0 HE22 GLN A 20 25.989 -4.328 -8.039 1.00 55.04 H new ATOM 319 N TRP A 21 22.507 -2.809 -1.895 1.00 12.52 N ATOM 320 CA TRP A 21 22.218 -3.426 -0.606 1.00 24.55 C ATOM 321 C TRP A 21 20.729 -3.722 -0.464 1.00 63.05 C ATOM 322 O TRP A 21 20.330 -4.871 -0.275 1.00 45.32 O ATOM 323 CB TRP A 21 22.681 -2.517 0.534 1.00 54.20 C ATOM 324 CG TRP A 21 22.743 -3.211 1.861 1.00 72.54 C ATOM 325 CD1 TRP A 21 23.575 -4.236 2.211 1.00 4.32 C ATOM 326 CD2 TRP A 21 21.939 -2.933 3.012 1.00 34.40 C ATOM 327 NE1 TRP A 21 23.337 -4.611 3.511 1.00 21.23 N ATOM 328 CE2 TRP A 21 22.338 -3.827 4.025 1.00 64.00 C ATOM 329 CE3 TRP A 21 20.921 -2.015 3.287 1.00 65.52 C ATOM 330 CZ2 TRP A 21 21.755 -3.828 5.289 1.00 34.20 C ATOM 331 CZ3 TRP A 21 20.343 -2.018 4.542 1.00 71.13 C ATOM 332 CH2 TRP A 21 20.761 -2.919 5.530 1.00 10.24 C ATOM 0 H TRP A 21 22.984 -1.910 -1.834 1.00 12.52 H new ATOM 0 HA TRP A 21 22.763 -4.369 -0.554 1.00 24.55 H new ATOM 0 HB2 TRP A 21 23.667 -2.119 0.294 1.00 54.20 H new ATOM 0 HB3 TRP A 21 22.004 -1.666 0.608 1.00 54.20 H new ATOM 0 HD1 TRP A 21 24.312 -4.685 1.561 1.00 4.32 H new ATOM 0 HE1 TRP A 21 23.825 -5.353 4.012 1.00 21.23 H new ATOM 0 HE3 TRP A 21 20.592 -1.316 2.532 1.00 65.52 H new ATOM 0 HZ2 TRP A 21 22.076 -4.521 6.052 1.00 34.20 H new ATOM 0 HZ3 TRP A 21 19.555 -1.314 4.765 1.00 71.13 H new ATOM 0 HH2 TRP A 21 20.289 -2.896 6.501 1.00 10.24 H new ATOM 343 N ALA A 22 19.912 -2.678 -0.558 1.00 72.41 N ATOM 344 CA ALA A 22 18.466 -2.828 -0.443 1.00 44.51 C ATOM 345 C ALA A 22 17.949 -3.907 -1.388 1.00 50.21 C ATOM 346 O ALA A 22 17.151 -4.758 -0.995 1.00 62.14 O ATOM 347 CB ALA A 22 17.775 -1.502 -0.724 1.00 50.40 C ATOM 0 H ALA A 22 20.226 -1.720 -0.713 1.00 72.41 H new ATOM 0 HA ALA A 22 18.237 -3.136 0.577 1.00 44.51 H new ATOM 0 HB1 ALA A 22 16.696 -1.628 -0.635 1.00 50.40 H new ATOM 0 HB2 ALA A 22 18.114 -0.756 -0.005 1.00 50.40 H new ATOM 0 HB3 ALA A 22 18.019 -1.171 -1.733 1.00 50.40 H new ATOM 353 N TRP A 23 18.407 -3.865 -2.634 1.00 2.32 N ATOM 354 CA TRP A 23 17.989 -4.839 -3.635 1.00 63.50 C ATOM 355 C TRP A 23 18.406 -6.249 -3.230 1.00 3.02 C ATOM 356 O TRP A 23 17.640 -7.200 -3.380 1.00 11.02 O ATOM 357 CB TRP A 23 18.588 -4.489 -4.998 1.00 73.44 C ATOM 358 CG TRP A 23 17.719 -3.578 -5.812 1.00 3.01 C ATOM 359 CD1 TRP A 23 17.904 -2.241 -6.022 1.00 22.24 C ATOM 360 CD2 TRP A 23 16.529 -3.937 -6.522 1.00 41.32 C ATOM 361 NE1 TRP A 23 16.900 -1.747 -6.820 1.00 25.35 N ATOM 362 CE2 TRP A 23 16.045 -2.768 -7.141 1.00 12.51 C ATOM 363 CE3 TRP A 23 15.827 -5.132 -6.698 1.00 14.14 C ATOM 364 CZ2 TRP A 23 14.891 -2.761 -7.919 1.00 75.24 C ATOM 365 CZ3 TRP A 23 14.681 -5.124 -7.470 1.00 50.24 C ATOM 366 CH2 TRP A 23 14.222 -3.945 -8.074 1.00 65.41 C ATOM 0 H TRP A 23 19.068 -3.167 -2.975 1.00 2.32 H new ATOM 0 HA TRP A 23 16.902 -4.808 -3.705 1.00 63.50 H new ATOM 0 HB2 TRP A 23 19.559 -4.017 -4.850 1.00 73.44 H new ATOM 0 HB3 TRP A 23 18.763 -5.408 -5.557 1.00 73.44 H new ATOM 0 HD1 TRP A 23 18.719 -1.658 -5.620 1.00 22.24 H new ATOM 0 HE1 TRP A 23 16.807 -0.778 -7.124 1.00 25.35 H new ATOM 0 HE3 TRP A 23 16.174 -6.046 -6.239 1.00 14.14 H new ATOM 0 HZ2 TRP A 23 14.536 -1.853 -8.384 1.00 75.24 H new ATOM 0 HZ3 TRP A 23 14.129 -6.042 -7.611 1.00 50.24 H new ATOM 0 HH2 TRP A 23 13.324 -3.971 -8.673 1.00 65.41 H new ATOM 377 N ALA A 24 19.625 -6.376 -2.716 1.00 22.13 N ATOM 378 CA ALA A 24 20.142 -7.670 -2.287 1.00 3.41 C ATOM 379 C ALA A 24 19.344 -8.217 -1.109 1.00 12.13 C ATOM 380 O ALA A 24 18.893 -9.361 -1.130 1.00 64.43 O ATOM 381 CB ALA A 24 21.615 -7.554 -1.921 1.00 73.52 C ATOM 0 H ALA A 24 20.273 -5.599 -2.587 1.00 22.13 H new ATOM 0 HA ALA A 24 20.039 -8.369 -3.117 1.00 3.41 H new ATOM 0 HB1 ALA A 24 21.988 -8.527 -1.602 1.00 73.52 H new ATOM 0 HB2 ALA A 24 22.180 -7.215 -2.789 1.00 73.52 H new ATOM 0 HB3 ALA A 24 21.733 -6.837 -1.109 1.00 73.52 H new ATOM 387 N ASN A 25 19.173 -7.391 -0.081 1.00 61.41 N ATOM 388 CA ASN A 25 18.430 -7.794 1.107 1.00 14.02 C ATOM 389 C ASN A 25 16.973 -7.350 1.014 1.00 0.30 C ATOM 390 O ASN A 25 16.626 -6.234 1.402 1.00 3.11 O ATOM 391 CB ASN A 25 19.075 -7.204 2.362 1.00 2.45 C ATOM 392 CG ASN A 25 20.392 -7.874 2.705 1.00 11.51 C ATOM 393 OD1 ASN A 25 20.417 -8.992 3.220 1.00 52.35 O ATOM 394 ND2 ASN A 25 21.495 -7.191 2.421 1.00 54.53 N ATOM 0 H ASN A 25 19.539 -6.439 -0.047 1.00 61.41 H new ATOM 0 HA ASN A 25 18.457 -8.882 1.170 1.00 14.02 H new ATOM 0 HB2 ASN A 25 19.241 -6.137 2.214 1.00 2.45 H new ATOM 0 HB3 ASN A 25 18.389 -7.307 3.202 1.00 2.45 H new ATOM 0 HD21 ASN A 25 22.410 -7.590 2.630 1.00 54.53 H new ATOM 0 HD22 ASN A 25 21.427 -6.267 1.994 1.00 54.53 H new ATOM 401 N LYS A 26 16.123 -8.231 0.497 1.00 4.11 N ATOM 402 CA LYS A 26 14.703 -7.932 0.354 1.00 65.21 C ATOM 403 C LYS A 26 13.871 -8.774 1.315 1.00 33.41 C ATOM 404 O LYS A 26 12.849 -9.342 0.932 1.00 33.34 O ATOM 405 CB LYS A 26 14.251 -8.185 -1.086 1.00 32.00 C ATOM 406 CG LYS A 26 14.639 -9.555 -1.614 1.00 31.42 C ATOM 407 CD LYS A 26 14.284 -9.708 -3.083 1.00 40.14 C ATOM 408 CE LYS A 26 12.782 -9.840 -3.283 1.00 50.33 C ATOM 409 NZ LYS A 26 12.315 -11.238 -3.072 1.00 40.05 N ATOM 0 H LYS A 26 16.393 -9.159 0.170 1.00 4.11 H new ATOM 0 HA LYS A 26 14.552 -6.880 0.596 1.00 65.21 H new ATOM 0 HB2 LYS A 26 13.168 -8.077 -1.142 1.00 32.00 H new ATOM 0 HB3 LYS A 26 14.682 -7.420 -1.733 1.00 32.00 H new ATOM 0 HG2 LYS A 26 15.710 -9.708 -1.480 1.00 31.42 H new ATOM 0 HG3 LYS A 26 14.132 -10.326 -1.034 1.00 31.42 H new ATOM 0 HD2 LYS A 26 14.652 -8.846 -3.639 1.00 40.14 H new ATOM 0 HD3 LYS A 26 14.785 -10.587 -3.490 1.00 40.14 H new ATOM 0 HE2 LYS A 26 12.264 -9.176 -2.591 1.00 50.33 H new ATOM 0 HE3 LYS A 26 12.520 -9.518 -4.291 1.00 50.33 H new ATOM 0 HZ1 LYS A 26 11.286 -11.286 -3.217 1.00 40.05 H new ATOM 0 HZ2 LYS A 26 12.790 -11.869 -3.749 1.00 40.05 H new ATOM 0 HZ3 LYS A 26 12.542 -11.537 -2.102 1.00 40.05 H new ATOM 423 N GLY A 27 14.315 -8.849 2.566 1.00 35.33 N ATOM 424 CA GLY A 27 13.597 -9.623 3.563 1.00 42.03 C ATOM 425 C GLY A 27 13.709 -9.026 4.951 1.00 3.15 C ATOM 426 O GLY A 27 12.732 -8.987 5.700 1.00 65.11 O ATOM 0 H GLY A 27 15.159 -8.388 2.907 1.00 35.33 H new ATOM 0 HA2 GLY A 27 12.546 -9.686 3.282 1.00 42.03 H new ATOM 0 HA3 GLY A 27 13.985 -10.642 3.576 1.00 42.03 H new ATOM 430 N LYS A 28 14.904 -8.560 5.299 1.00 63.13 N ATOM 431 CA LYS A 28 15.142 -7.962 6.607 1.00 22.21 C ATOM 432 C LYS A 28 14.729 -6.494 6.618 1.00 53.03 C ATOM 433 O LYS A 28 14.356 -5.952 7.659 1.00 70.22 O ATOM 434 CB LYS A 28 16.619 -8.090 6.988 1.00 11.20 C ATOM 435 CG LYS A 28 17.531 -7.160 6.207 1.00 1.42 C ATOM 436 CD LYS A 28 17.795 -5.870 6.967 1.00 62.41 C ATOM 437 CE LYS A 28 19.022 -5.990 7.858 1.00 41.10 C ATOM 438 NZ LYS A 28 20.274 -6.120 7.063 1.00 65.11 N ATOM 0 H LYS A 28 15.723 -8.585 4.692 1.00 63.13 H new ATOM 0 HA LYS A 28 14.536 -8.497 7.339 1.00 22.21 H new ATOM 0 HB2 LYS A 28 16.730 -7.885 8.053 1.00 11.20 H new ATOM 0 HB3 LYS A 28 16.939 -9.119 6.827 1.00 11.20 H new ATOM 0 HG2 LYS A 28 18.476 -7.663 6.003 1.00 1.42 H new ATOM 0 HG3 LYS A 28 17.078 -6.929 5.243 1.00 1.42 H new ATOM 0 HD2 LYS A 28 17.936 -5.052 6.260 1.00 62.41 H new ATOM 0 HD3 LYS A 28 16.925 -5.620 7.575 1.00 62.41 H new ATOM 0 HE2 LYS A 28 19.090 -5.113 8.502 1.00 41.10 H new ATOM 0 HE3 LYS A 28 18.914 -6.857 8.510 1.00 41.10 H new ATOM 0 HZ1 LYS A 28 21.096 -6.063 7.698 1.00 65.11 H new ATOM 0 HZ2 LYS A 28 20.279 -7.036 6.571 1.00 65.11 H new ATOM 0 HZ3 LYS A 28 20.323 -5.352 6.364 1.00 65.11 H new ATOM 452 N ILE A 29 14.796 -5.857 5.454 1.00 53.23 N ATOM 453 CA ILE A 29 14.425 -4.452 5.330 1.00 65.43 C ATOM 454 C ILE A 29 12.914 -4.291 5.205 1.00 22.23 C ATOM 455 O ILE A 29 12.341 -3.314 5.689 1.00 41.23 O ATOM 456 CB ILE A 29 15.102 -3.797 4.111 1.00 24.24 C ATOM 457 CG1 ILE A 29 16.622 -3.950 4.201 1.00 2.15 C ATOM 458 CG2 ILE A 29 14.717 -2.329 4.017 1.00 12.55 C ATOM 459 CD1 ILE A 29 17.358 -3.389 3.005 1.00 52.22 C ATOM 0 H ILE A 29 15.103 -6.291 4.584 1.00 53.23 H new ATOM 0 HA ILE A 29 14.767 -3.954 6.237 1.00 65.43 H new ATOM 0 HB ILE A 29 14.758 -4.301 3.208 1.00 24.24 H new ATOM 0 HG12 ILE A 29 16.976 -3.450 5.103 1.00 2.15 H new ATOM 0 HG13 ILE A 29 16.867 -5.007 4.305 1.00 2.15 H new ATOM 0 HG21 ILE A 29 15.203 -1.880 3.151 1.00 12.55 H new ATOM 0 HG22 ILE A 29 13.636 -2.243 3.911 1.00 12.55 H new ATOM 0 HG23 ILE A 29 15.036 -1.811 4.921 1.00 12.55 H new ATOM 0 HD11 ILE A 29 18.430 -3.532 3.138 1.00 52.22 H new ATOM 0 HD12 ILE A 29 17.032 -3.905 2.102 1.00 52.22 H new ATOM 0 HD13 ILE A 29 17.143 -2.324 2.912 1.00 52.22 H new ATOM 471 N LEU A 30 12.273 -5.257 4.556 1.00 44.31 N ATOM 472 CA LEU A 30 10.827 -5.224 4.369 1.00 10.31 C ATOM 473 C LEU A 30 10.108 -5.095 5.708 1.00 32.42 C ATOM 474 O LEU A 30 8.990 -4.584 5.777 1.00 2.34 O ATOM 475 CB LEU A 30 10.358 -6.486 3.644 1.00 34.21 C ATOM 476 CG LEU A 30 10.361 -6.423 2.116 1.00 21.33 C ATOM 477 CD1 LEU A 30 9.281 -5.475 1.619 1.00 61.24 C ATOM 478 CD2 LEU A 30 11.728 -5.994 1.603 1.00 31.13 C ATOM 0 H LEU A 30 12.732 -6.073 4.151 1.00 44.31 H new ATOM 0 HA LEU A 30 10.583 -4.352 3.762 1.00 10.31 H new ATOM 0 HB2 LEU A 30 10.992 -7.316 3.955 1.00 34.21 H new ATOM 0 HB3 LEU A 30 9.346 -6.717 3.976 1.00 34.21 H new ATOM 0 HG LEU A 30 10.146 -7.419 1.730 1.00 21.33 H new ATOM 0 HD11 LEU A 30 9.298 -5.443 0.530 1.00 61.24 H new ATOM 0 HD12 LEU A 30 8.306 -5.826 1.956 1.00 61.24 H new ATOM 0 HD13 LEU A 30 9.464 -4.476 2.014 1.00 61.24 H new ATOM 0 HD21 LEU A 30 11.712 -5.955 0.514 1.00 31.13 H new ATOM 0 HD22 LEU A 30 11.972 -5.008 1.998 1.00 31.13 H new ATOM 0 HD23 LEU A 30 12.481 -6.712 1.929 1.00 31.13 H new ATOM 490 N ASP A 31 10.757 -5.561 6.769 1.00 20.43 N ATOM 491 CA ASP A 31 10.181 -5.496 8.108 1.00 41.05 C ATOM 492 C ASP A 31 10.176 -4.062 8.628 1.00 43.25 C ATOM 493 O ASP A 31 9.202 -3.614 9.232 1.00 50.21 O ATOM 494 CB ASP A 31 10.961 -6.397 9.066 1.00 4.33 C ATOM 495 CG ASP A 31 10.100 -6.921 10.198 1.00 1.24 C ATOM 496 OD1 ASP A 31 8.966 -7.366 9.924 1.00 31.52 O ATOM 497 OD2 ASP A 31 10.560 -6.886 11.359 1.00 64.25 O ATOM 0 H ASP A 31 11.682 -5.988 6.728 1.00 20.43 H new ATOM 0 HA ASP A 31 9.150 -5.846 8.051 1.00 41.05 H new ATOM 0 HB2 ASP A 31 11.378 -7.238 8.511 1.00 4.33 H new ATOM 0 HB3 ASP A 31 11.802 -5.840 9.480 1.00 4.33 H new ATOM 502 N TRP A 32 11.271 -3.348 8.389 1.00 33.33 N ATOM 503 CA TRP A 32 11.393 -1.965 8.835 1.00 52.21 C ATOM 504 C TRP A 32 10.224 -1.125 8.331 1.00 61.43 C ATOM 505 O TRP A 32 9.827 -0.149 8.968 1.00 4.04 O ATOM 506 CB TRP A 32 12.714 -1.366 8.349 1.00 12.25 C ATOM 507 CG TRP A 32 13.911 -1.904 9.073 1.00 42.41 C ATOM 508 CD1 TRP A 32 13.948 -2.391 10.348 1.00 13.02 C ATOM 509 CD2 TRP A 32 15.245 -2.006 8.564 1.00 64.33 C ATOM 510 NE1 TRP A 32 15.224 -2.790 10.662 1.00 23.54 N ATOM 511 CE2 TRP A 32 16.039 -2.566 9.584 1.00 11.23 C ATOM 512 CE3 TRP A 32 15.847 -1.682 7.345 1.00 75.25 C ATOM 513 CZ2 TRP A 32 17.401 -2.806 9.421 1.00 14.30 C ATOM 514 CZ3 TRP A 32 17.198 -1.921 7.184 1.00 2.42 C ATOM 515 CH2 TRP A 32 17.963 -2.479 8.217 1.00 1.42 C ATOM 0 H TRP A 32 12.086 -3.704 7.889 1.00 33.33 H new ATOM 0 HA TRP A 32 11.378 -1.958 9.925 1.00 52.21 H new ATOM 0 HB2 TRP A 32 12.824 -1.564 7.283 1.00 12.25 H new ATOM 0 HB3 TRP A 32 12.681 -0.283 8.471 1.00 12.25 H new ATOM 0 HD1 TRP A 32 13.099 -2.453 11.012 1.00 13.02 H new ATOM 0 HE1 TRP A 32 15.517 -3.189 11.554 1.00 23.54 H new ATOM 0 HE3 TRP A 32 15.266 -1.252 6.543 1.00 75.25 H new ATOM 0 HZ2 TRP A 32 17.993 -3.235 10.216 1.00 14.30 H new ATOM 0 HZ3 TRP A 32 17.673 -1.674 6.246 1.00 2.42 H new ATOM 0 HH2 TRP A 32 19.017 -2.654 8.060 1.00 1.42 H new ATOM 526 N LEU A 33 9.676 -1.511 7.184 1.00 41.34 N ATOM 527 CA LEU A 33 8.551 -0.793 6.594 1.00 43.12 C ATOM 528 C LEU A 33 7.311 -0.905 7.475 1.00 5.33 C ATOM 529 O LEU A 33 6.521 0.033 7.573 1.00 30.31 O ATOM 530 CB LEU A 33 8.249 -1.338 5.197 1.00 32.20 C ATOM 531 CG LEU A 33 9.277 -1.014 4.113 1.00 51.53 C ATOM 532 CD1 LEU A 33 9.030 -1.858 2.873 1.00 75.44 C ATOM 533 CD2 LEU A 33 9.238 0.468 3.767 1.00 21.03 C ATOM 0 H LEU A 33 9.992 -2.317 6.644 1.00 41.34 H new ATOM 0 HA LEU A 33 8.824 0.259 6.516 1.00 43.12 H new ATOM 0 HB2 LEU A 33 8.152 -2.422 5.265 1.00 32.20 H new ATOM 0 HB3 LEU A 33 7.281 -0.950 4.879 1.00 32.20 H new ATOM 0 HG LEU A 33 10.269 -1.252 4.498 1.00 51.53 H new ATOM 0 HD11 LEU A 33 9.772 -1.613 2.113 1.00 75.44 H new ATOM 0 HD12 LEU A 33 9.109 -2.914 3.130 1.00 75.44 H new ATOM 0 HD13 LEU A 33 8.032 -1.653 2.486 1.00 75.44 H new ATOM 0 HD21 LEU A 33 9.976 0.681 2.994 1.00 21.03 H new ATOM 0 HD22 LEU A 33 8.245 0.731 3.403 1.00 21.03 H new ATOM 0 HD23 LEU A 33 9.465 1.055 4.657 1.00 21.03 H new ATOM 545 N ASN A 34 7.150 -2.057 8.117 1.00 72.52 N ATOM 546 CA ASN A 34 6.007 -2.291 8.992 1.00 31.40 C ATOM 547 C ASN A 34 6.425 -2.239 10.458 1.00 10.13 C ATOM 548 O ASN A 34 5.867 -2.943 11.299 1.00 70.40 O ATOM 549 CB ASN A 34 5.368 -3.646 8.680 1.00 23.43 C ATOM 550 CG ASN A 34 5.161 -3.859 7.193 1.00 34.33 C ATOM 551 OD1 ASN A 34 4.126 -3.486 6.640 1.00 30.21 O ATOM 552 ND2 ASN A 34 6.146 -4.462 6.539 1.00 62.23 N ATOM 0 H ASN A 34 7.796 -2.843 8.048 1.00 72.52 H new ATOM 0 HA ASN A 34 5.276 -1.502 8.813 1.00 31.40 H new ATOM 0 HB2 ASN A 34 6.000 -4.442 9.074 1.00 23.43 H new ATOM 0 HB3 ASN A 34 4.408 -3.718 9.192 1.00 23.43 H new ATOM 0 HD21 ASN A 34 6.063 -4.633 5.537 1.00 62.23 H new ATOM 0 HD22 ASN A 34 6.986 -4.754 7.038 1.00 62.23 H new ATOM 559 N ALA A 35 7.410 -1.399 10.757 1.00 2.43 N ATOM 560 CA ALA A 35 7.901 -1.252 12.122 1.00 43.22 C ATOM 561 C ALA A 35 7.864 0.207 12.565 1.00 62.13 C ATOM 562 O ALA A 35 7.375 0.525 13.648 1.00 60.31 O ATOM 563 CB ALA A 35 9.314 -1.804 12.236 1.00 23.45 C ATOM 0 H ALA A 35 7.884 -0.810 10.073 1.00 2.43 H new ATOM 0 HA ALA A 35 7.245 -1.821 12.781 1.00 43.22 H new ATOM 0 HB1 ALA A 35 9.668 -1.688 13.260 1.00 23.45 H new ATOM 0 HB2 ALA A 35 9.314 -2.861 11.969 1.00 23.45 H new ATOM 0 HB3 ALA A 35 9.973 -1.259 11.560 1.00 23.45 H new ATOM 569 N GLY A 36 8.386 1.091 11.719 1.00 34.03 N ATOM 570 CA GLY A 36 8.403 2.506 12.042 1.00 34.34 C ATOM 571 C GLY A 36 7.491 3.317 11.143 1.00 62.21 C ATOM 572 O GLY A 36 7.085 4.423 11.497 1.00 44.55 O ATOM 0 H GLY A 36 8.797 0.852 10.816 1.00 34.03 H new ATOM 0 HA2 GLY A 36 8.100 2.642 13.080 1.00 34.34 H new ATOM 0 HA3 GLY A 36 9.422 2.883 11.956 1.00 34.34 H new ATOM 576 N GLN A 37 7.170 2.766 9.977 1.00 63.13 N ATOM 577 CA GLN A 37 6.303 3.448 9.023 1.00 20.33 C ATOM 578 C GLN A 37 6.860 4.822 8.667 1.00 12.21 C ATOM 579 O GLN A 37 6.163 5.831 8.773 1.00 42.12 O ATOM 580 CB GLN A 37 4.892 3.589 9.596 1.00 73.20 C ATOM 581 CG GLN A 37 4.102 2.290 9.596 1.00 25.43 C ATOM 582 CD GLN A 37 3.361 2.057 8.295 1.00 71.23 C ATOM 583 OE1 GLN A 37 2.198 2.436 8.153 1.00 42.52 O ATOM 584 NE2 GLN A 37 4.031 1.430 7.335 1.00 23.21 N ATOM 0 H GLN A 37 7.497 1.850 9.670 1.00 63.13 H new ATOM 0 HA GLN A 37 6.260 2.847 8.114 1.00 20.33 H new ATOM 0 HB2 GLN A 37 4.960 3.963 10.617 1.00 73.20 H new ATOM 0 HB3 GLN A 37 4.347 4.336 9.018 1.00 73.20 H new ATOM 0 HG2 GLN A 37 4.781 1.457 9.777 1.00 25.43 H new ATOM 0 HG3 GLN A 37 3.387 2.304 10.419 1.00 25.43 H new ATOM 0 HE21 GLN A 37 4.994 1.133 7.495 1.00 23.21 H new ATOM 0 HE22 GLN A 37 3.583 1.245 6.437 1.00 23.21 H new ATOM 593 N ALA A 38 8.120 4.854 8.245 1.00 34.41 N ATOM 594 CA ALA A 38 8.769 6.104 7.872 1.00 62.12 C ATOM 595 C ALA A 38 9.974 5.849 6.972 1.00 10.42 C ATOM 596 O ALA A 38 10.285 4.704 6.645 1.00 30.32 O ATOM 597 CB ALA A 38 9.190 6.872 9.116 1.00 70.01 C ATOM 0 H ALA A 38 8.711 4.028 8.153 1.00 34.41 H new ATOM 0 HA ALA A 38 8.051 6.705 7.313 1.00 62.12 H new ATOM 0 HB1 ALA A 38 9.674 7.804 8.822 1.00 70.01 H new ATOM 0 HB2 ALA A 38 8.311 7.094 9.721 1.00 70.01 H new ATOM 0 HB3 ALA A 38 9.887 6.269 9.697 1.00 70.01 H new ATOM 603 N ILE A 39 10.647 6.924 6.575 1.00 25.32 N ATOM 604 CA ILE A 39 11.818 6.816 5.714 1.00 62.44 C ATOM 605 C ILE A 39 13.095 7.153 6.476 1.00 30.22 C ATOM 606 O ILE A 39 14.069 6.401 6.439 1.00 45.44 O ATOM 607 CB ILE A 39 11.704 7.744 4.490 1.00 62.42 C ATOM 608 CG1 ILE A 39 10.357 7.541 3.792 1.00 25.05 C ATOM 609 CG2 ILE A 39 12.851 7.489 3.523 1.00 20.32 C ATOM 610 CD1 ILE A 39 9.262 8.441 4.321 1.00 62.25 C ATOM 0 H ILE A 39 10.401 7.879 6.836 1.00 25.32 H new ATOM 0 HA ILE A 39 11.864 5.782 5.373 1.00 62.44 H new ATOM 0 HB ILE A 39 11.764 8.778 4.830 1.00 62.42 H new ATOM 0 HG12 ILE A 39 10.480 7.720 2.724 1.00 25.05 H new ATOM 0 HG13 ILE A 39 10.050 6.502 3.908 1.00 25.05 H new ATOM 0 HG21 ILE A 39 12.756 8.152 2.663 1.00 20.32 H new ATOM 0 HG22 ILE A 39 13.799 7.679 4.025 1.00 20.32 H new ATOM 0 HG23 ILE A 39 12.820 6.453 3.187 1.00 20.32 H new ATOM 0 HD11 ILE A 39 8.336 8.243 3.781 1.00 62.25 H new ATOM 0 HD12 ILE A 39 9.112 8.246 5.383 1.00 62.25 H new ATOM 0 HD13 ILE A 39 9.548 9.483 4.181 1.00 62.25 H new ATOM 622 N ASP A 40 13.082 8.286 7.169 1.00 52.32 N ATOM 623 CA ASP A 40 14.238 8.722 7.944 1.00 53.45 C ATOM 624 C ASP A 40 14.646 7.658 8.957 1.00 34.21 C ATOM 625 O ASP A 40 15.808 7.578 9.354 1.00 62.22 O ATOM 626 CB ASP A 40 13.930 10.037 8.662 1.00 43.21 C ATOM 627 CG ASP A 40 14.091 11.243 7.757 1.00 63.20 C ATOM 628 OD1 ASP A 40 14.293 11.048 6.540 1.00 10.13 O ATOM 629 OD2 ASP A 40 14.016 12.381 8.266 1.00 44.24 O ATOM 0 H ASP A 40 12.284 8.919 7.210 1.00 52.32 H new ATOM 0 HA ASP A 40 15.068 8.879 7.255 1.00 53.45 H new ATOM 0 HB2 ASP A 40 12.910 10.008 9.045 1.00 43.21 H new ATOM 0 HB3 ASP A 40 14.591 10.141 9.522 1.00 43.21 H new ATOM 634 N TRP A 41 13.682 6.844 9.372 1.00 12.04 N ATOM 635 CA TRP A 41 13.941 5.785 10.341 1.00 32.21 C ATOM 636 C TRP A 41 14.685 4.623 9.692 1.00 53.14 C ATOM 637 O TRP A 41 15.399 3.878 10.362 1.00 3.14 O ATOM 638 CB TRP A 41 12.628 5.289 10.949 1.00 13.42 C ATOM 639 CG TRP A 41 12.823 4.363 12.111 1.00 63.11 C ATOM 640 CD1 TRP A 41 13.097 4.714 13.402 1.00 65.20 C ATOM 641 CD2 TRP A 41 12.762 2.933 12.086 1.00 34.32 C ATOM 642 NE1 TRP A 41 13.210 3.588 14.181 1.00 30.34 N ATOM 643 CE2 TRP A 41 13.007 2.482 13.398 1.00 3.42 C ATOM 644 CE3 TRP A 41 12.521 1.989 11.084 1.00 33.24 C ATOM 645 CZ2 TRP A 41 13.020 1.130 13.731 1.00 53.43 C ATOM 646 CZ3 TRP A 41 12.534 0.647 11.416 1.00 53.40 C ATOM 647 CH2 TRP A 41 12.781 0.228 12.730 1.00 11.20 C ATOM 0 H TRP A 41 12.715 6.897 9.053 1.00 12.04 H new ATOM 0 HA TRP A 41 14.567 6.197 11.132 1.00 32.21 H new ATOM 0 HB2 TRP A 41 12.039 6.147 11.273 1.00 13.42 H new ATOM 0 HB3 TRP A 41 12.050 4.778 10.179 1.00 13.42 H new ATOM 0 HD1 TRP A 41 13.208 5.727 13.758 1.00 65.20 H new ATOM 0 HE1 TRP A 41 13.412 3.577 15.181 1.00 30.34 H new ATOM 0 HE3 TRP A 41 12.328 2.302 10.069 1.00 33.24 H new ATOM 0 HZ2 TRP A 41 13.212 0.805 14.743 1.00 53.43 H new ATOM 0 HZ3 TRP A 41 12.351 -0.091 10.649 1.00 53.40 H new ATOM 0 HH2 TRP A 41 12.783 -0.828 12.957 1.00 11.20 H new ATOM 658 N VAL A 42 14.513 4.474 8.382 1.00 72.01 N ATOM 659 CA VAL A 42 15.169 3.403 7.642 1.00 44.13 C ATOM 660 C VAL A 42 16.574 3.813 7.212 1.00 33.14 C ATOM 661 O VAL A 42 17.535 3.068 7.403 1.00 21.11 O ATOM 662 CB VAL A 42 14.359 3.004 6.394 1.00 11.32 C ATOM 663 CG1 VAL A 42 15.061 1.888 5.636 1.00 52.24 C ATOM 664 CG2 VAL A 42 12.949 2.589 6.786 1.00 52.12 C ATOM 0 H VAL A 42 13.925 5.082 7.812 1.00 72.01 H new ATOM 0 HA VAL A 42 15.232 2.547 8.314 1.00 44.13 H new ATOM 0 HB VAL A 42 14.289 3.869 5.735 1.00 11.32 H new ATOM 0 HG11 VAL A 42 14.474 1.620 4.758 1.00 52.24 H new ATOM 0 HG12 VAL A 42 16.049 2.226 5.323 1.00 52.24 H new ATOM 0 HG13 VAL A 42 15.164 1.017 6.283 1.00 52.24 H new ATOM 0 HG21 VAL A 42 12.390 2.310 5.893 1.00 52.12 H new ATOM 0 HG22 VAL A 42 12.996 1.738 7.465 1.00 52.12 H new ATOM 0 HG23 VAL A 42 12.449 3.421 7.282 1.00 52.12 H new ATOM 674 N VAL A 43 16.685 5.003 6.632 1.00 44.35 N ATOM 675 CA VAL A 43 17.973 5.514 6.176 1.00 32.00 C ATOM 676 C VAL A 43 18.994 5.518 7.308 1.00 10.31 C ATOM 677 O VAL A 43 20.172 5.230 7.097 1.00 73.35 O ATOM 678 CB VAL A 43 17.843 6.941 5.611 1.00 14.14 C ATOM 679 CG1 VAL A 43 19.187 7.439 5.103 1.00 72.14 C ATOM 680 CG2 VAL A 43 16.797 6.984 4.508 1.00 75.52 C ATOM 0 H VAL A 43 15.899 5.632 6.466 1.00 44.35 H new ATOM 0 HA VAL A 43 18.315 4.848 5.384 1.00 32.00 H new ATOM 0 HB VAL A 43 17.518 7.603 6.414 1.00 14.14 H new ATOM 0 HG11 VAL A 43 19.075 8.449 4.708 1.00 72.14 H new ATOM 0 HG12 VAL A 43 19.905 7.448 5.923 1.00 72.14 H new ATOM 0 HG13 VAL A 43 19.545 6.778 4.314 1.00 72.14 H new ATOM 0 HG21 VAL A 43 16.718 8.000 4.120 1.00 75.52 H new ATOM 0 HG22 VAL A 43 17.089 6.310 3.703 1.00 75.52 H new ATOM 0 HG23 VAL A 43 15.832 6.673 4.909 1.00 75.52 H new ATOM 690 N SER A 44 18.534 5.847 8.511 1.00 3.31 N ATOM 691 CA SER A 44 19.408 5.893 9.677 1.00 25.53 C ATOM 692 C SER A 44 20.055 4.533 9.924 1.00 4.14 C ATOM 693 O SER A 44 21.133 4.443 10.513 1.00 63.45 O ATOM 694 CB SER A 44 18.621 6.328 10.915 1.00 60.33 C ATOM 695 OG SER A 44 19.442 6.322 12.070 1.00 70.13 O ATOM 0 H SER A 44 17.561 6.086 8.703 1.00 3.31 H new ATOM 0 HA SER A 44 20.195 6.621 9.482 1.00 25.53 H new ATOM 0 HB2 SER A 44 18.215 7.327 10.759 1.00 60.33 H new ATOM 0 HB3 SER A 44 17.773 5.659 11.064 1.00 60.33 H new ATOM 0 HG SER A 44 18.916 6.605 12.847 1.00 70.13 H new ATOM 701 N LYS A 45 19.389 3.477 9.471 1.00 62.24 N ATOM 702 CA LYS A 45 19.897 2.121 9.640 1.00 63.42 C ATOM 703 C LYS A 45 20.654 1.664 8.397 1.00 43.23 C ATOM 704 O LYS A 45 20.732 0.469 8.110 1.00 10.20 O ATOM 705 CB LYS A 45 18.746 1.155 9.932 1.00 2.40 C ATOM 706 CG LYS A 45 18.303 1.160 11.385 1.00 74.23 C ATOM 707 CD LYS A 45 17.419 -0.035 11.701 1.00 30.05 C ATOM 708 CE LYS A 45 16.919 0.007 13.137 1.00 32.23 C ATOM 709 NZ LYS A 45 18.020 -0.215 14.115 1.00 50.01 N ATOM 0 H LYS A 45 18.495 3.534 8.983 1.00 62.24 H new ATOM 0 HA LYS A 45 20.586 2.122 10.484 1.00 63.42 H new ATOM 0 HB2 LYS A 45 17.896 1.414 9.301 1.00 2.40 H new ATOM 0 HB3 LYS A 45 19.051 0.145 9.657 1.00 2.40 H new ATOM 0 HG2 LYS A 45 19.179 1.148 12.034 1.00 74.23 H new ATOM 0 HG3 LYS A 45 17.761 2.081 11.598 1.00 74.23 H new ATOM 0 HD2 LYS A 45 16.569 -0.051 11.019 1.00 30.05 H new ATOM 0 HD3 LYS A 45 17.978 -0.956 11.536 1.00 30.05 H new ATOM 0 HE2 LYS A 45 16.451 0.972 13.330 1.00 32.23 H new ATOM 0 HE3 LYS A 45 16.151 -0.754 13.276 1.00 32.23 H new ATOM 0 HZ1 LYS A 45 17.624 -0.280 15.074 1.00 50.01 H new ATOM 0 HZ2 LYS A 45 18.516 -1.099 13.884 1.00 50.01 H new ATOM 0 HZ3 LYS A 45 18.690 0.580 14.070 1.00 50.01 H new ATOM 723 N ILE A 46 21.211 2.622 7.664 1.00 45.31 N ATOM 724 CA ILE A 46 21.964 2.317 6.454 1.00 43.44 C ATOM 725 C ILE A 46 23.381 2.876 6.532 1.00 21.21 C ATOM 726 O ILE A 46 24.329 2.267 6.036 1.00 22.42 O ATOM 727 CB ILE A 46 21.270 2.884 5.201 1.00 60.20 C ATOM 728 CG1 ILE A 46 19.840 2.350 5.098 1.00 30.53 C ATOM 729 CG2 ILE A 46 22.063 2.533 3.951 1.00 24.22 C ATOM 730 CD1 ILE A 46 19.084 2.874 3.898 1.00 54.21 C ATOM 0 H ILE A 46 21.155 3.616 7.887 1.00 45.31 H new ATOM 0 HA ILE A 46 22.008 1.231 6.376 1.00 43.44 H new ATOM 0 HB ILE A 46 21.228 3.970 5.288 1.00 60.20 H new ATOM 0 HG12 ILE A 46 19.870 1.261 5.051 1.00 30.53 H new ATOM 0 HG13 ILE A 46 19.296 2.615 6.004 1.00 30.53 H new ATOM 0 HG21 ILE A 46 21.560 2.941 3.074 1.00 24.22 H new ATOM 0 HG22 ILE A 46 23.064 2.957 4.024 1.00 24.22 H new ATOM 0 HG23 ILE A 46 22.134 1.449 3.857 1.00 24.22 H new ATOM 0 HD11 ILE A 46 18.078 2.453 3.889 1.00 54.21 H new ATOM 0 HD12 ILE A 46 19.022 3.961 3.953 1.00 54.21 H new ATOM 0 HD13 ILE A 46 19.605 2.586 2.985 1.00 54.21 H new ATOM 742 N LYS A 47 23.519 4.039 7.160 1.00 32.52 N ATOM 743 CA LYS A 47 24.820 4.680 7.308 1.00 61.42 C ATOM 744 C LYS A 47 25.715 3.883 8.253 1.00 52.55 C ATOM 745 O LYS A 47 26.940 3.952 8.165 1.00 64.21 O ATOM 746 CB LYS A 47 24.652 6.108 7.831 1.00 75.04 C ATOM 747 CG LYS A 47 24.215 7.098 6.765 1.00 41.22 C ATOM 748 CD LYS A 47 22.701 7.191 6.677 1.00 40.33 C ATOM 749 CE LYS A 47 22.127 8.025 7.812 1.00 72.10 C ATOM 750 NZ LYS A 47 22.511 9.459 7.697 1.00 63.14 N ATOM 0 H LYS A 47 22.745 4.557 7.575 1.00 32.52 H new ATOM 0 HA LYS A 47 25.294 4.713 6.327 1.00 61.42 H new ATOM 0 HB2 LYS A 47 23.918 6.107 8.637 1.00 75.04 H new ATOM 0 HB3 LYS A 47 25.596 6.442 8.260 1.00 75.04 H new ATOM 0 HG2 LYS A 47 24.628 8.081 6.989 1.00 41.22 H new ATOM 0 HG3 LYS A 47 24.619 6.795 5.799 1.00 41.22 H new ATOM 0 HD2 LYS A 47 22.417 7.631 5.721 1.00 40.33 H new ATOM 0 HD3 LYS A 47 22.272 6.190 6.707 1.00 40.33 H new ATOM 0 HE2 LYS A 47 21.040 7.939 7.812 1.00 72.10 H new ATOM 0 HE3 LYS A 47 22.478 7.631 8.766 1.00 72.10 H new ATOM 0 HZ1 LYS A 47 21.855 10.040 8.257 1.00 63.14 H new ATOM 0 HZ2 LYS A 47 23.479 9.589 8.053 1.00 63.14 H new ATOM 0 HZ3 LYS A 47 22.467 9.751 6.700 1.00 63.14 H new ATOM 764 N GLN A 48 25.094 3.129 9.153 1.00 34.12 N ATOM 765 CA GLN A 48 25.835 2.320 10.113 1.00 20.50 C ATOM 766 C GLN A 48 26.134 0.937 9.543 1.00 62.00 C ATOM 767 O GLN A 48 27.102 0.287 9.941 1.00 53.34 O ATOM 768 CB GLN A 48 25.046 2.187 11.417 1.00 24.10 C ATOM 769 CG GLN A 48 23.632 1.664 11.222 1.00 2.43 C ATOM 770 CD GLN A 48 22.952 1.318 12.532 1.00 4.44 C ATOM 771 OE1 GLN A 48 22.319 2.168 13.160 1.00 71.23 O ATOM 772 NE2 GLN A 48 23.080 0.065 12.953 1.00 2.52 N ATOM 0 H GLN A 48 24.080 3.061 9.238 1.00 34.12 H new ATOM 0 HA GLN A 48 26.781 2.821 10.318 1.00 20.50 H new ATOM 0 HB2 GLN A 48 25.582 1.518 12.090 1.00 24.10 H new ATOM 0 HB3 GLN A 48 25.000 3.160 11.905 1.00 24.10 H new ATOM 0 HG2 GLN A 48 23.040 2.414 10.697 1.00 2.43 H new ATOM 0 HG3 GLN A 48 23.661 0.779 10.587 1.00 2.43 H new ATOM 0 HE21 GLN A 48 23.614 -0.607 12.401 1.00 2.52 H new ATOM 0 HE22 GLN A 48 22.645 -0.226 13.828 1.00 2.52 H new ATOM 781 N ILE A 49 25.298 0.493 8.611 1.00 40.35 N ATOM 782 CA ILE A 49 25.474 -0.812 7.986 1.00 40.22 C ATOM 783 C ILE A 49 26.638 -0.797 7.000 1.00 35.12 C ATOM 784 O ILE A 49 27.695 -1.373 7.262 1.00 53.50 O ATOM 785 CB ILE A 49 24.198 -1.260 7.249 1.00 32.25 C ATOM 786 CG1 ILE A 49 23.016 -1.314 8.219 1.00 34.33 C ATOM 787 CG2 ILE A 49 24.414 -2.615 6.593 1.00 73.42 C ATOM 788 CD1 ILE A 49 23.239 -2.243 9.393 1.00 53.44 C ATOM 0 H ILE A 49 24.492 1.018 8.272 1.00 40.35 H new ATOM 0 HA ILE A 49 25.688 -1.519 8.787 1.00 40.22 H new ATOM 0 HB ILE A 49 23.971 -0.533 6.469 1.00 32.25 H new ATOM 0 HG12 ILE A 49 22.818 -0.310 8.593 1.00 34.33 H new ATOM 0 HG13 ILE A 49 22.126 -1.634 7.677 1.00 34.33 H new ATOM 0 HG21 ILE A 49 23.504 -2.918 6.076 1.00 73.42 H new ATOM 0 HG22 ILE A 49 25.232 -2.546 5.876 1.00 73.42 H new ATOM 0 HG23 ILE A 49 24.661 -3.353 7.356 1.00 73.42 H new ATOM 0 HD11 ILE A 49 22.361 -2.231 10.038 1.00 53.44 H new ATOM 0 HD12 ILE A 49 23.407 -3.256 9.028 1.00 53.44 H new ATOM 0 HD13 ILE A 49 24.110 -1.912 9.959 1.00 53.44 H new ATOM 800 N LEU A 50 26.437 -0.134 5.867 1.00 71.24 N ATOM 801 CA LEU A 50 27.470 -0.042 4.841 1.00 23.10 C ATOM 802 C LEU A 50 28.501 1.023 5.201 1.00 40.22 C ATOM 803 O LEU A 50 29.687 0.730 5.345 1.00 1.23 O ATOM 804 CB LEU A 50 26.842 0.278 3.483 1.00 21.35 C ATOM 805 CG LEU A 50 25.511 -0.411 3.181 1.00 14.21 C ATOM 806 CD1 LEU A 50 24.895 0.153 1.910 1.00 61.53 C ATOM 807 CD2 LEU A 50 25.703 -1.915 3.061 1.00 24.53 C ATOM 0 H LEU A 50 25.568 0.348 5.635 1.00 71.24 H new ATOM 0 HA LEU A 50 27.975 -1.006 4.782 1.00 23.10 H new ATOM 0 HB2 LEU A 50 26.693 1.356 3.419 1.00 21.35 H new ATOM 0 HB3 LEU A 50 27.554 0.007 2.703 1.00 21.35 H new ATOM 0 HG LEU A 50 24.828 -0.218 4.008 1.00 14.21 H new ATOM 0 HD11 LEU A 50 23.948 -0.349 1.711 1.00 61.53 H new ATOM 0 HD12 LEU A 50 24.720 1.222 2.034 1.00 61.53 H new ATOM 0 HD13 LEU A 50 25.575 -0.009 1.073 1.00 61.53 H new ATOM 0 HD21 LEU A 50 24.745 -2.388 2.846 1.00 24.53 H new ATOM 0 HD22 LEU A 50 26.403 -2.129 2.253 1.00 24.53 H new ATOM 0 HD23 LEU A 50 26.099 -2.307 3.998 1.00 24.53 H new ATOM 819 N GLY A 51 28.039 2.262 5.346 1.00 30.51 N ATOM 820 CA GLY A 51 28.933 3.351 5.690 1.00 44.40 C ATOM 821 C GLY A 51 28.860 4.497 4.700 1.00 75.54 C ATOM 822 O GLY A 51 29.853 5.184 4.461 1.00 53.30 O ATOM 0 H GLY A 51 27.062 2.530 5.231 1.00 30.51 H new ATOM 0 HA2 GLY A 51 28.686 3.719 6.686 1.00 44.40 H new ATOM 0 HA3 GLY A 51 29.956 2.977 5.733 1.00 44.40 H new ATOM 826 N ILE A 52 27.681 4.701 4.120 1.00 22.25 N ATOM 827 CA ILE A 52 27.483 5.770 3.150 1.00 13.00 C ATOM 828 C ILE A 52 27.455 7.133 3.832 1.00 12.53 C ATOM 829 O ILE A 52 26.797 7.314 4.857 1.00 11.22 O ATOM 830 CB ILE A 52 26.175 5.577 2.360 1.00 50.34 C ATOM 831 CG1 ILE A 52 26.082 6.602 1.228 1.00 51.45 C ATOM 832 CG2 ILE A 52 24.974 5.693 3.286 1.00 10.04 C ATOM 833 CD1 ILE A 52 27.206 6.495 0.222 1.00 44.35 C ATOM 0 H ILE A 52 26.850 4.140 4.305 1.00 22.25 H new ATOM 0 HA ILE A 52 28.325 5.730 2.459 1.00 13.00 H new ATOM 0 HB ILE A 52 26.176 4.579 1.923 1.00 50.34 H new ATOM 0 HG12 ILE A 52 25.130 6.476 0.712 1.00 51.45 H new ATOM 0 HG13 ILE A 52 26.082 7.605 1.656 1.00 51.45 H new ATOM 0 HG21 ILE A 52 24.058 5.554 2.712 1.00 10.04 H new ATOM 0 HG22 ILE A 52 25.037 4.929 4.061 1.00 10.04 H new ATOM 0 HG23 ILE A 52 24.966 6.679 3.750 1.00 10.04 H new ATOM 0 HD11 ILE A 52 27.075 7.252 -0.551 1.00 44.35 H new ATOM 0 HD12 ILE A 52 28.160 6.651 0.725 1.00 44.35 H new ATOM 0 HD13 ILE A 52 27.194 5.505 -0.234 1.00 44.35 H new ATOM 845 N LYS A 53 28.172 8.092 3.256 1.00 23.02 N ATOM 846 CA LYS A 53 28.229 9.441 3.806 1.00 54.44 C ATOM 847 C LYS A 53 27.712 10.462 2.796 1.00 33.34 C ATOM 848 O LYS A 53 27.091 11.458 3.169 1.00 44.14 O ATOM 849 CB LYS A 53 29.663 9.790 4.210 1.00 13.04 C ATOM 850 CG LYS A 53 30.637 9.807 3.045 1.00 55.21 C ATOM 851 CD LYS A 53 31.276 8.445 2.833 1.00 44.52 C ATOM 852 CE LYS A 53 32.565 8.305 3.629 1.00 73.10 C ATOM 853 NZ LYS A 53 33.317 7.075 3.254 1.00 12.45 N ATOM 0 H LYS A 53 28.722 7.960 2.407 1.00 23.02 H new ATOM 0 HA LYS A 53 27.591 9.473 4.689 1.00 54.44 H new ATOM 0 HB2 LYS A 53 29.668 10.768 4.691 1.00 13.04 H new ATOM 0 HB3 LYS A 53 30.008 9.069 4.951 1.00 13.04 H new ATOM 0 HG2 LYS A 53 30.115 10.110 2.137 1.00 55.21 H new ATOM 0 HG3 LYS A 53 31.413 10.550 3.229 1.00 55.21 H new ATOM 0 HD2 LYS A 53 30.577 7.663 3.130 1.00 44.52 H new ATOM 0 HD3 LYS A 53 31.484 8.300 1.773 1.00 44.52 H new ATOM 0 HE2 LYS A 53 33.193 9.180 3.461 1.00 73.10 H new ATOM 0 HE3 LYS A 53 32.333 8.279 4.694 1.00 73.10 H new ATOM 0 HZ1 LYS A 53 34.189 7.016 3.818 1.00 12.45 H new ATOM 0 HZ2 LYS A 53 32.728 6.238 3.438 1.00 12.45 H new ATOM 0 HZ3 LYS A 53 33.560 7.111 2.244 1.00 12.45 H new TER 867 LYS A 53