USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot -39:sc= 0.293 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.41 K(o=0.7,f=-1.8) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.7 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.323 (180deg=-1.58) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.37 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0112) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 1.2 (180deg=0.277) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 1.1 (180deg=0.0859) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 0.0354 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 0.942 K(o=0.94,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.00258 X(o=0.0026,f=-0.34) USER MOD Single : A 55 THR OG1 : rot -71:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.0291 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.166 X(o=0.17,f=-0.015) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.595 -7.444 -4.871 1.00 9.67 N ATOM 2 CA MET A 1 11.602 -7.866 -3.420 1.00 10.38 C ATOM 3 C MET A 1 10.127 -8.070 -2.989 1.00 9.62 C ATOM 4 O MET A 1 9.173 -7.560 -3.614 1.00 9.62 O ATOM 5 CB MET A 1 12.444 -6.886 -2.552 1.00 13.77 C ATOM 6 CG MET A 1 11.889 -5.478 -2.597 1.00 16.29 C ATOM 7 SD MET A 1 12.866 -4.323 -1.522 1.00 17.17 S ATOM 8 CE MET A 1 11.614 -3.001 -1.444 1.00 16.11 C ATOM 0 H1 MET A 1 12.568 -7.249 -5.180 1.00 9.67 H new ATOM 0 H2 MET A 1 11.193 -8.207 -5.453 1.00 9.67 H new ATOM 0 H3 MET A 1 11.018 -6.586 -4.980 1.00 9.67 H new ATOM 0 HA MET A 1 12.111 -8.818 -3.267 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.461 -7.237 -1.520 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.475 -6.882 -2.905 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.899 -5.115 -3.625 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.849 -5.486 -2.272 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.110 -2.035 -1.351 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.014 -3.014 -2.354 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.968 -3.162 -0.581 1.00 16.11 H new ATOM 20 N GLN A 2 9.893 -8.793 -1.904 1.00 9.27 N ATOM 21 CA GLN A 2 8.593 -9.146 -1.455 1.00 9.07 C ATOM 22 C GLN A 2 8.133 -8.364 -0.226 1.00 8.72 C ATOM 23 O GLN A 2 8.863 -8.203 0.746 1.00 8.22 O ATOM 24 CB GLN A 2 8.686 -10.672 -1.155 1.00 14.46 C ATOM 25 CG GLN A 2 7.430 -11.272 -0.619 1.00 17.01 C ATOM 26 CD GLN A 2 7.522 -12.792 -0.350 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.668 -13.228 0.785 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.474 -13.637 -1.421 1.00 19.49 N ATOM 0 H GLN A 2 10.638 -9.152 -1.307 1.00 9.27 H new ATOM 0 HA GLN A 2 7.845 -8.903 -2.210 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.961 -11.194 -2.071 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.490 -10.841 -0.438 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.165 -10.765 0.309 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.621 -11.087 -1.326 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.352 -13.262 -2.362 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.560 -14.644 -1.281 1.00 19.49 H new ATOM 37 N ILE A 3 6.922 -7.769 -0.295 1.00 5.87 N ATOM 38 CA ILE A 3 6.318 -7.019 0.823 1.00 5.07 C ATOM 39 C ILE A 3 4.908 -7.428 1.171 1.00 4.01 C ATOM 40 O ILE A 3 4.194 -8.085 0.330 1.00 4.61 O ATOM 41 CB ILE A 3 6.344 -5.460 0.591 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.433 -5.119 -0.610 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.827 -5.087 0.324 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.247 -3.602 -0.770 1.00 10.83 C ATOM 0 H ILE A 3 6.337 -7.797 -1.130 1.00 5.87 H new ATOM 0 HA ILE A 3 6.955 -7.282 1.668 1.00 5.07 H new ATOM 0 HB ILE A 3 5.971 -4.897 1.446 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.864 -5.531 -1.522 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.461 -5.593 -0.475 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.907 -4.013 0.155 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.433 -5.365 1.186 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.183 -5.620 -0.557 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.601 -3.403 -1.625 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.791 -3.194 0.132 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.217 -3.132 -0.931 1.00 10.83 H new ATOM 56 N PHE A 4 4.489 -7.121 2.421 1.00 4.55 N ATOM 57 CA PHE A 4 3.222 -7.476 2.971 1.00 4.68 C ATOM 58 C PHE A 4 2.342 -6.308 3.227 1.00 5.30 C ATOM 59 O PHE A 4 2.718 -5.281 3.778 1.00 5.58 O ATOM 60 CB PHE A 4 3.323 -8.271 4.339 1.00 4.83 C ATOM 61 CG PHE A 4 4.121 -9.533 4.308 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.830 -10.487 3.311 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.289 -9.736 5.067 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.650 -11.619 3.137 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.063 -10.871 4.936 1.00 10.61 C ATOM 66 CZ PHE A 4 5.733 -11.868 4.052 1.00 8.90 C ATOM 0 H PHE A 4 5.071 -6.598 3.075 1.00 4.55 H new ATOM 0 HA PHE A 4 2.794 -8.113 2.197 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.756 -7.609 5.089 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.313 -8.512 4.671 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.969 -10.348 2.674 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.589 -8.978 5.775 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.466 -12.299 2.318 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.950 -10.977 5.544 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.267 -12.807 4.043 1.00 8.90 H new ATOM 76 N VAL A 5 1.111 -6.387 2.738 1.00 4.44 N ATOM 77 CA VAL A 5 0.066 -5.413 3.033 1.00 3.87 C ATOM 78 C VAL A 5 -1.047 -6.102 3.753 1.00 4.93 C ATOM 79 O VAL A 5 -1.597 -7.133 3.396 1.00 6.84 O ATOM 80 CB VAL A 5 -0.349 -4.672 1.757 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.533 -3.711 2.068 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.788 -3.929 1.111 1.00 9.13 C ATOM 0 H VAL A 5 0.806 -7.137 2.118 1.00 4.44 H new ATOM 0 HA VAL A 5 0.428 -4.632 3.702 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.667 -5.424 1.035 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.825 -3.186 1.158 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.380 -4.286 2.442 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.225 -2.986 2.822 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.430 -3.426 0.213 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.183 -3.190 1.808 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.576 -4.632 0.843 1.00 9.13 H new ATOM 92 N LYS A 6 -1.312 -5.567 4.972 1.00 6.04 N ATOM 93 CA LYS A 6 -2.101 -6.146 6.043 1.00 6.12 C ATOM 94 C LYS A 6 -3.436 -5.471 6.198 1.00 6.57 C ATOM 95 O LYS A 6 -3.488 -4.367 6.726 1.00 5.76 O ATOM 96 CB LYS A 6 -1.255 -6.144 7.342 1.00 7.45 C ATOM 97 CG LYS A 6 -1.825 -7.161 8.362 1.00 11.12 C ATOM 98 CD LYS A 6 -1.017 -7.129 9.679 1.00 14.54 C ATOM 99 CE LYS A 6 -1.564 -7.947 10.818 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.525 -9.379 10.422 1.00 20.55 N ATOM 0 H LYS A 6 -0.944 -4.652 5.232 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.347 -7.179 5.796 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.220 -6.395 7.109 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.251 -5.145 7.779 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.871 -6.931 8.566 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.796 -8.164 7.937 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.004 -7.472 9.467 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.940 -6.093 10.008 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.973 -7.786 11.720 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.585 -7.644 11.048 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.836 -9.969 11.220 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.158 -9.532 9.611 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.554 -9.639 10.157 1.00 20.55 H new ATOM 114 N THR A 7 -4.549 -6.116 5.861 1.00 7.41 N ATOM 115 CA THR A 7 -5.833 -5.452 5.841 1.00 7.48 C ATOM 116 C THR A 7 -6.432 -5.252 7.212 1.00 8.75 C ATOM 117 O THR A 7 -6.047 -5.927 8.119 1.00 8.58 O ATOM 118 CB THR A 7 -6.839 -5.972 4.859 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.560 -7.173 5.247 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.139 -6.231 3.515 1.00 9.17 C ATOM 0 H THR A 7 -4.579 -7.101 5.598 1.00 7.41 H new ATOM 0 HA THR A 7 -5.571 -4.468 5.451 1.00 7.48 H new ATOM 0 HB THR A 7 -7.598 -5.192 4.801 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.188 -7.421 4.537 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.864 -6.610 2.794 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.710 -5.301 3.143 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.347 -6.967 3.653 1.00 9.17 H new ATOM 128 N LEU A 8 -7.400 -4.257 7.390 1.00 9.84 N ATOM 129 CA LEU A 8 -8.208 -4.114 8.602 1.00 14.15 C ATOM 130 C LEU A 8 -9.048 -5.320 9.021 1.00 17.37 C ATOM 131 O LEU A 8 -9.061 -5.687 10.171 1.00 17.01 O ATOM 132 CB LEU A 8 -9.032 -2.782 8.483 1.00 16.63 C ATOM 133 CG LEU A 8 -10.070 -2.482 9.609 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.374 -1.740 10.734 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.169 -1.482 9.087 1.00 18.59 C ATOM 0 H LEU A 8 -7.610 -3.557 6.679 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.513 -4.062 9.440 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.327 -1.951 8.443 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.562 -2.796 7.530 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.504 -3.430 9.926 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.091 -1.525 11.527 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.567 -2.356 11.132 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.963 -0.805 10.354 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.886 -1.282 9.883 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.696 -0.549 8.782 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.686 -1.922 8.235 1.00 18.59 H new ATOM 147 N THR A 9 -9.596 -6.033 8.030 1.00 18.33 N ATOM 148 CA THR A 9 -10.531 -7.140 8.220 1.00 19.24 C ATOM 149 C THR A 9 -9.831 -8.384 8.391 1.00 19.48 C ATOM 150 O THR A 9 -10.467 -9.420 8.621 1.00 23.14 O ATOM 151 CB THR A 9 -11.581 -7.243 7.188 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.058 -7.202 5.871 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.576 -6.107 7.453 1.00 19.70 C ATOM 0 H THR A 9 -9.393 -5.848 7.048 1.00 18.33 H new ATOM 0 HA THR A 9 -11.069 -6.910 9.140 1.00 19.24 H new ATOM 0 HB THR A 9 -12.078 -8.211 7.254 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.792 -7.275 5.225 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.374 -6.142 6.712 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.001 -6.221 8.450 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.061 -5.149 7.386 1.00 19.70 H new ATOM 161 N GLY A 10 -8.499 -8.358 8.323 1.00 19.43 N ATOM 162 CA GLY A 10 -7.691 -9.468 8.700 1.00 18.74 C ATOM 163 C GLY A 10 -7.274 -10.330 7.534 1.00 17.62 C ATOM 164 O GLY A 10 -7.157 -11.527 7.756 1.00 19.74 O ATOM 0 H GLY A 10 -7.968 -7.550 7.999 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.799 -9.102 9.209 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.239 -10.080 9.417 1.00 18.74 H new ATOM 168 N LYS A 11 -6.967 -9.822 6.315 1.00 13.56 N ATOM 169 CA LYS A 11 -6.409 -10.644 5.315 1.00 11.91 C ATOM 170 C LYS A 11 -5.071 -9.999 5.006 1.00 10.18 C ATOM 171 O LYS A 11 -4.899 -8.795 5.063 1.00 9.10 O ATOM 172 CB LYS A 11 -7.287 -10.651 4.089 1.00 13.43 C ATOM 173 CG LYS A 11 -6.945 -11.782 3.119 1.00 16.69 C ATOM 174 CD LYS A 11 -7.981 -11.838 1.912 1.00 17.92 C ATOM 175 CE LYS A 11 -7.589 -12.928 0.871 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.400 -12.833 -0.336 1.00 21.93 N ATOM 0 H LYS A 11 -7.110 -8.850 6.042 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.310 -11.682 5.633 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.329 -10.744 4.395 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.190 -9.695 3.574 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.937 -11.639 2.730 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.949 -12.734 3.650 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.979 -12.045 2.298 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.023 -10.865 1.423 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.536 -12.822 0.612 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.710 -13.916 1.315 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.809 -13.035 -1.168 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.177 -13.523 -0.287 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.793 -11.873 -0.415 1.00 21.93 H new ATOM 190 N THR A 12 -4.049 -10.784 4.640 1.00 9.63 N ATOM 191 CA THR A 12 -2.704 -10.257 4.363 1.00 9.85 C ATOM 192 C THR A 12 -2.361 -10.551 2.935 1.00 11.66 C ATOM 193 O THR A 12 -2.502 -11.652 2.488 1.00 12.33 O ATOM 194 CB THR A 12 -1.590 -10.811 5.270 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.984 -10.801 6.622 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.298 -10.076 5.225 1.00 9.63 C ATOM 0 H THR A 12 -4.129 -11.795 4.528 1.00 9.63 H new ATOM 0 HA THR A 12 -2.749 -9.188 4.569 1.00 9.85 H new ATOM 0 HB THR A 12 -1.433 -11.814 4.873 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.260 -11.159 7.176 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.414 -10.550 5.900 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.097 -10.096 4.209 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.457 -9.042 5.532 1.00 9.63 H new ATOM 204 N ILE A 13 -1.838 -9.518 2.208 1.00 10.42 N ATOM 205 CA ILE A 13 -1.519 -9.459 0.783 1.00 11.84 C ATOM 206 C ILE A 13 -0.049 -9.526 0.537 1.00 10.55 C ATOM 207 O ILE A 13 0.702 -8.695 1.042 1.00 11.92 O ATOM 208 CB ILE A 13 -2.105 -8.195 0.190 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.524 -7.768 0.655 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.142 -8.321 -1.320 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.894 -6.378 0.071 1.00 16.46 C ATOM 0 H ILE A 13 -1.616 -8.634 2.665 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.960 -10.329 0.297 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.438 -7.416 0.560 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.256 -8.510 0.335 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.561 -7.733 1.744 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.563 -7.413 -1.751 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.130 -8.466 -1.698 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.759 -9.175 -1.599 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.892 -6.096 0.408 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.172 -5.636 0.412 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.878 -6.425 -1.018 1.00 16.46 H new ATOM 223 N THR A 14 0.440 -10.630 -0.123 1.00 9.39 N ATOM 224 CA THR A 14 1.841 -10.667 -0.548 1.00 9.63 C ATOM 225 C THR A 14 2.147 -10.111 -1.906 1.00 11.20 C ATOM 226 O THR A 14 1.606 -10.625 -2.909 1.00 11.63 O ATOM 227 CB THR A 14 2.500 -12.067 -0.555 1.00 10.38 C ATOM 228 OG1 THR A 14 2.105 -12.853 0.564 1.00 16.30 O ATOM 229 CG2 THR A 14 4.046 -11.908 -0.436 1.00 11.66 C ATOM 0 H THR A 14 -0.106 -11.460 -0.353 1.00 9.39 H new ATOM 0 HA THR A 14 2.252 -10.027 0.233 1.00 9.63 H new ATOM 0 HB THR A 14 2.192 -12.552 -1.481 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.542 -13.729 0.519 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.514 -12.892 -0.441 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.418 -11.325 -1.279 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.288 -11.395 0.495 1.00 11.66 H new ATOM 237 N LEU A 15 3.078 -9.179 -2.012 1.00 8.29 N ATOM 238 CA LEU A 15 3.273 -8.433 -3.246 1.00 9.03 C ATOM 239 C LEU A 15 4.732 -8.482 -3.653 1.00 8.59 C ATOM 240 O LEU A 15 5.608 -8.780 -2.823 1.00 7.79 O ATOM 241 CB LEU A 15 2.989 -6.902 -3.131 1.00 11.08 C ATOM 242 CG LEU A 15 1.490 -6.614 -2.895 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.408 -5.080 -2.778 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.495 -7.255 -3.910 1.00 15.27 C ATOM 0 H LEU A 15 3.713 -8.919 -1.257 1.00 8.29 H new ATOM 0 HA LEU A 15 2.580 -8.900 -3.946 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.573 -6.484 -2.311 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.316 -6.402 -4.043 1.00 11.08 H new ATOM 0 HG LEU A 15 1.142 -7.110 -1.989 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.373 -4.783 -2.608 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.023 -4.745 -1.943 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.770 -4.625 -3.700 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.525 -6.982 -3.641 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.715 -6.892 -4.914 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.599 -8.340 -3.886 1.00 15.27 H new ATOM 256 N GLU A 16 5.025 -8.303 -4.959 1.00 11.04 N ATOM 257 CA GLU A 16 6.324 -8.274 -5.580 1.00 11.50 C ATOM 258 C GLU A 16 6.665 -6.877 -6.113 1.00 10.13 C ATOM 259 O GLU A 16 6.021 -6.333 -7.034 1.00 9.83 O ATOM 260 CB GLU A 16 6.511 -9.417 -6.646 1.00 17.22 C ATOM 261 CG GLU A 16 8.007 -9.656 -7.080 1.00 23.33 C ATOM 262 CD GLU A 16 8.910 -9.996 -5.896 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.584 -10.839 -5.015 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.094 -9.507 -5.937 1.00 28.90 O ATOM 0 H GLU A 16 4.282 -8.166 -5.644 1.00 11.04 H new ATOM 0 HA GLU A 16 7.058 -8.489 -4.803 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.109 -10.346 -6.241 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.922 -9.174 -7.530 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.046 -10.467 -7.808 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.385 -8.763 -7.577 1.00 23.33 H new ATOM 271 N VAL A 17 7.526 -6.172 -5.446 1.00 8.99 N ATOM 272 CA VAL A 17 7.875 -4.825 -5.751 1.00 8.85 C ATOM 273 C VAL A 17 9.372 -4.468 -5.823 1.00 8.04 C ATOM 274 O VAL A 17 10.234 -5.188 -5.323 1.00 8.99 O ATOM 275 CB VAL A 17 7.269 -3.831 -4.750 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.722 -3.863 -4.742 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.819 -4.001 -3.317 1.00 10.54 C ATOM 0 H VAL A 17 8.026 -6.541 -4.637 1.00 8.99 H new ATOM 0 HA VAL A 17 7.467 -4.743 -6.758 1.00 8.85 H new ATOM 0 HB VAL A 17 7.583 -2.849 -5.105 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.347 -3.141 -4.017 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.348 -3.609 -5.734 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.380 -4.862 -4.470 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.351 -3.269 -2.658 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.597 -5.006 -2.959 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.898 -3.848 -3.321 1.00 10.54 H new ATOM 287 N GLU A 18 9.636 -3.316 -6.507 1.00 7.29 N ATOM 288 CA GLU A 18 10.990 -2.727 -6.525 1.00 7.08 C ATOM 289 C GLU A 18 10.995 -1.423 -5.741 1.00 6.45 C ATOM 290 O GLU A 18 10.026 -0.712 -5.658 1.00 5.28 O ATOM 291 CB GLU A 18 11.432 -2.431 -7.987 1.00 10.28 C ATOM 292 CG GLU A 18 11.731 -3.651 -8.847 1.00 12.65 C ATOM 293 CD GLU A 18 13.150 -4.157 -8.527 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.156 -3.494 -8.889 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.246 -5.193 -7.871 1.00 18.17 O ATOM 0 H GLU A 18 8.940 -2.794 -7.039 1.00 7.29 H new ATOM 0 HA GLU A 18 11.681 -3.439 -6.073 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.648 -1.850 -8.473 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.323 -1.803 -7.958 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.999 -4.436 -8.654 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.652 -3.395 -9.904 1.00 12.65 H new ATOM 302 N PRO A 19 12.149 -1.018 -5.078 1.00 7.24 N ATOM 303 CA PRO A 19 12.179 0.294 -4.368 1.00 7.07 C ATOM 304 C PRO A 19 11.762 1.519 -5.172 1.00 6.65 C ATOM 305 O PRO A 19 11.158 2.444 -4.600 1.00 6.37 O ATOM 306 CB PRO A 19 13.620 0.402 -3.875 1.00 7.61 C ATOM 307 CG PRO A 19 14.076 -1.093 -3.691 1.00 8.16 C ATOM 308 CD PRO A 19 13.385 -1.782 -4.920 1.00 7.49 C ATOM 0 HA PRO A 19 11.426 0.299 -3.580 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.249 0.925 -4.595 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.680 0.955 -2.938 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.161 -1.198 -3.718 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.739 -1.511 -2.743 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.007 -1.731 -5.813 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.185 -2.837 -4.731 1.00 7.49 H new ATOM 316 N SER A 20 12.007 1.484 -6.501 1.00 6.80 N ATOM 317 CA SER A 20 11.676 2.466 -7.478 1.00 6.28 C ATOM 318 C SER A 20 10.216 2.535 -7.830 1.00 8.45 C ATOM 319 O SER A 20 9.833 3.380 -8.670 1.00 7.26 O ATOM 320 CB SER A 20 12.354 2.163 -8.823 1.00 8.57 C ATOM 321 OG SER A 20 12.134 0.793 -9.300 1.00 11.13 O ATOM 0 H SER A 20 12.484 0.686 -6.922 1.00 6.80 H new ATOM 0 HA SER A 20 12.004 3.394 -7.010 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.984 2.863 -9.572 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.426 2.337 -8.727 1.00 8.57 H new ATOM 0 HG SER A 20 12.590 0.668 -10.159 1.00 11.13 H new ATOM 327 N ASP A 21 9.338 1.557 -7.398 1.00 7.50 N ATOM 328 CA ASP A 21 7.915 1.665 -7.589 1.00 7.70 C ATOM 329 C ASP A 21 7.289 2.839 -6.803 1.00 7.08 C ATOM 330 O ASP A 21 7.469 3.022 -5.547 1.00 8.11 O ATOM 331 CB ASP A 21 7.176 0.328 -7.404 1.00 11.00 C ATOM 332 CG ASP A 21 7.534 -0.814 -8.290 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.924 -0.611 -9.432 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.327 -1.959 -7.869 1.00 14.36 O ATOM 0 H ASP A 21 9.631 0.704 -6.921 1.00 7.50 H new ATOM 0 HA ASP A 21 7.773 1.919 -8.639 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.326 0.007 -6.373 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.110 0.520 -7.526 1.00 11.00 H new ATOM 339 N THR A 22 6.368 3.622 -7.472 1.00 5.37 N ATOM 340 CA THR A 22 5.506 4.516 -6.785 1.00 6.01 C ATOM 341 C THR A 22 4.398 3.805 -6.052 1.00 8.01 C ATOM 342 O THR A 22 4.010 2.660 -6.309 1.00 8.11 O ATOM 343 CB THR A 22 4.861 5.582 -7.635 1.00 8.92 C ATOM 344 OG1 THR A 22 4.031 5.079 -8.723 1.00 10.22 O ATOM 345 CG2 THR A 22 6.001 6.394 -8.219 1.00 9.65 C ATOM 0 H THR A 22 6.244 3.614 -8.484 1.00 5.37 H new ATOM 0 HA THR A 22 6.192 5.004 -6.092 1.00 6.01 H new ATOM 0 HB THR A 22 4.183 6.156 -7.004 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.460 4.296 -9.127 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.598 7.187 -8.848 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.586 6.834 -7.411 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.640 5.745 -8.818 1.00 9.65 H new ATOM 353 N ILE A 23 3.817 4.452 -5.025 1.00 8.32 N ATOM 354 CA ILE A 23 2.692 3.891 -4.227 1.00 9.92 C ATOM 355 C ILE A 23 1.401 3.728 -5.100 1.00 10.01 C ATOM 356 O ILE A 23 0.533 2.883 -4.828 1.00 8.71 O ATOM 357 CB ILE A 23 2.485 4.887 -3.067 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.817 5.038 -2.244 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.259 4.578 -2.176 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.349 3.789 -1.589 1.00 12.30 C ATOM 0 H ILE A 23 4.109 5.380 -4.718 1.00 8.32 H new ATOM 0 HA ILE A 23 2.913 2.890 -3.855 1.00 9.92 H new ATOM 0 HB ILE A 23 2.243 5.851 -3.514 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.587 5.428 -2.910 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.656 5.787 -1.469 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.186 5.325 -1.386 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.353 4.601 -2.782 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.372 3.589 -1.731 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.269 4.023 -1.053 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.609 3.402 -0.888 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.554 3.038 -2.351 1.00 12.30 H new ATOM 372 N GLU A 24 1.322 4.481 -6.176 1.00 9.54 N ATOM 373 CA GLU A 24 0.300 4.322 -7.137 1.00 11.81 C ATOM 374 C GLU A 24 0.321 2.924 -7.789 1.00 11.14 C ATOM 375 O GLU A 24 -0.685 2.222 -7.903 1.00 10.62 O ATOM 376 CB GLU A 24 0.480 5.386 -8.212 1.00 19.24 C ATOM 377 CG GLU A 24 -0.777 5.654 -9.093 1.00 27.76 C ATOM 378 CD GLU A 24 -0.466 6.586 -10.243 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.106 7.667 -9.994 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.802 6.190 -11.410 1.00 34.80 O ATOM 0 H GLU A 24 1.984 5.226 -6.393 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.661 4.429 -6.634 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.774 6.319 -7.732 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.303 5.089 -8.862 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.156 4.709 -9.483 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.567 6.086 -8.478 1.00 27.76 H new ATOM 387 N ASN A 25 1.523 2.380 -8.107 1.00 9.43 N ATOM 388 CA ASN A 25 1.843 1.074 -8.652 1.00 10.96 C ATOM 389 C ASN A 25 1.448 0.026 -7.666 1.00 9.68 C ATOM 390 O ASN A 25 1.008 -1.064 -8.022 1.00 9.33 O ATOM 391 CB ASN A 25 3.312 0.979 -8.976 1.00 16.78 C ATOM 392 CG ASN A 25 3.882 1.932 -9.981 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.987 2.411 -9.790 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.162 2.224 -11.098 1.00 24.70 N ATOM 0 H ASN A 25 2.375 2.923 -7.964 1.00 9.43 H new ATOM 0 HA ASN A 25 1.291 0.922 -9.579 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.866 1.106 -8.046 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.510 -0.033 -9.329 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.544 2.857 -11.800 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.240 1.810 -11.233 1.00 24.70 H new ATOM 401 N VAL A 26 1.725 0.232 -6.328 1.00 6.52 N ATOM 402 CA VAL A 26 1.488 -0.707 -5.236 1.00 5.53 C ATOM 403 C VAL A 26 -0.018 -0.844 -5.039 1.00 4.42 C ATOM 404 O VAL A 26 -0.487 -1.985 -4.976 1.00 3.40 O ATOM 405 CB VAL A 26 2.219 -0.251 -3.962 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.919 -1.247 -2.841 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.709 -0.211 -4.338 1.00 8.12 C ATOM 0 H VAL A 26 2.137 1.105 -5.999 1.00 6.52 H new ATOM 0 HA VAL A 26 1.893 -1.690 -5.478 1.00 5.53 H new ATOM 0 HB VAL A 26 1.903 0.728 -3.601 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.432 -0.936 -1.931 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.845 -1.278 -2.660 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.267 -2.238 -3.132 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.294 0.107 -3.475 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.032 -1.204 -4.649 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.859 0.493 -5.157 1.00 8.12 H new ATOM 417 N LYS A 27 -0.740 0.330 -5.027 1.00 2.64 N ATOM 418 CA LYS A 27 -2.204 0.325 -4.943 1.00 4.14 C ATOM 419 C LYS A 27 -2.931 -0.498 -6.130 1.00 5.58 C ATOM 420 O LYS A 27 -3.875 -1.284 -5.916 1.00 4.11 O ATOM 421 CB LYS A 27 -2.858 1.661 -4.813 1.00 3.97 C ATOM 422 CG LYS A 27 -2.524 2.448 -3.563 1.00 7.45 C ATOM 423 CD LYS A 27 -3.388 3.736 -3.392 1.00 9.02 C ATOM 424 CE LYS A 27 -3.089 4.422 -2.053 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.188 5.413 -1.708 1.00 15.47 N ATOM 0 H LYS A 27 -0.322 1.259 -5.074 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.353 -0.197 -3.998 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.585 2.262 -5.680 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.938 1.519 -4.851 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.663 1.808 -2.692 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.471 2.727 -3.589 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.186 4.426 -4.212 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.446 3.479 -3.445 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.005 3.674 -1.265 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.130 4.937 -2.107 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.763 6.296 -1.359 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.754 5.613 -2.557 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.801 5.009 -0.971 1.00 15.47 H new ATOM 439 N ALA A 28 -2.367 -0.423 -7.368 1.00 6.61 N ATOM 440 CA ALA A 28 -2.780 -1.137 -8.590 1.00 7.74 C ATOM 441 C ALA A 28 -2.544 -2.635 -8.464 1.00 9.17 C ATOM 442 O ALA A 28 -3.363 -3.492 -8.880 1.00 11.45 O ATOM 443 CB ALA A 28 -2.095 -0.498 -9.809 1.00 7.68 C ATOM 0 H ALA A 28 -1.561 0.178 -7.540 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.855 -1.034 -8.735 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.399 -1.024 -10.714 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.387 0.550 -9.883 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.013 -0.566 -9.695 1.00 7.68 H new ATOM 449 N LYS A 29 -1.473 -3.066 -7.839 1.00 8.96 N ATOM 450 CA LYS A 29 -1.210 -4.469 -7.539 1.00 7.90 C ATOM 451 C LYS A 29 -2.152 -5.005 -6.450 1.00 6.92 C ATOM 452 O LYS A 29 -2.675 -6.069 -6.574 1.00 6.87 O ATOM 453 CB LYS A 29 0.248 -4.593 -7.106 1.00 10.28 C ATOM 454 CG LYS A 29 1.216 -4.583 -8.266 1.00 14.94 C ATOM 455 CD LYS A 29 2.623 -4.437 -7.724 1.00 19.69 C ATOM 456 CE LYS A 29 3.570 -3.939 -8.774 1.00 22.63 C ATOM 457 NZ LYS A 29 3.855 -4.901 -9.829 1.00 24.98 N ATOM 0 H LYS A 29 -0.736 -2.440 -7.513 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.393 -5.071 -8.429 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.491 -3.772 -6.431 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.376 -5.517 -6.543 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.126 -5.505 -8.841 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.985 -3.761 -8.944 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.619 -3.747 -6.880 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.970 -5.399 -7.347 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.154 -3.037 -9.223 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.507 -3.654 -8.296 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.516 -4.480 -10.513 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.282 -5.754 -9.415 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.971 -5.157 -10.314 1.00 24.98 H new ATOM 471 N ILE A 30 -2.448 -4.218 -5.372 1.00 4.57 N ATOM 472 CA ILE A 30 -3.460 -4.531 -4.415 1.00 5.58 C ATOM 473 C ILE A 30 -4.818 -4.656 -5.020 1.00 7.26 C ATOM 474 O ILE A 30 -5.666 -5.465 -4.622 1.00 9.46 O ATOM 475 CB ILE A 30 -3.454 -3.461 -3.289 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.172 -3.648 -2.467 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.649 -3.497 -2.345 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.780 -2.509 -1.553 1.00 2.00 C ATOM 0 H ILE A 30 -1.961 -3.344 -5.175 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.225 -5.510 -3.998 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.509 -2.494 -3.788 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.284 -4.547 -1.861 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.348 -3.829 -3.157 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.546 -2.710 -1.598 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.566 -3.341 -2.913 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.691 -4.466 -1.848 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.859 -2.764 -1.029 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.624 -1.606 -2.143 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.574 -2.335 -0.827 1.00 2.00 H new ATOM 490 N GLN A 31 -5.139 -3.852 -6.134 1.00 7.06 N ATOM 491 CA GLN A 31 -6.351 -3.858 -6.887 1.00 8.67 C ATOM 492 C GLN A 31 -6.399 -5.081 -7.705 1.00 10.90 C ATOM 493 O GLN A 31 -7.472 -5.635 -7.809 1.00 9.63 O ATOM 494 CB GLN A 31 -6.482 -2.514 -7.755 1.00 9.12 C ATOM 495 CG GLN A 31 -7.630 -2.413 -8.790 1.00 10.76 C ATOM 496 CD GLN A 31 -7.478 -1.109 -9.597 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.395 -0.290 -9.616 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.393 -0.956 -10.362 1.00 14.76 N ATOM 0 H GLN A 31 -4.475 -3.167 -6.495 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.213 -3.871 -6.220 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.587 -1.680 -7.061 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.542 -2.370 -8.287 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.608 -3.273 -9.460 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.595 -2.429 -8.283 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.645 -1.648 -10.330 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.313 -0.147 -10.978 1.00 14.76 H new ATOM 507 N ASP A 32 -5.227 -5.508 -8.261 1.00 10.93 N ATOM 508 CA ASP A 32 -5.006 -6.784 -8.963 1.00 14.01 C ATOM 509 C ASP A 32 -5.463 -7.927 -8.051 1.00 14.04 C ATOM 510 O ASP A 32 -6.334 -8.744 -8.506 1.00 13.39 O ATOM 511 CB ASP A 32 -3.571 -6.967 -9.527 1.00 18.01 C ATOM 512 CG ASP A 32 -3.400 -8.204 -10.432 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.279 -8.545 -11.275 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.313 -8.867 -10.281 1.00 25.17 O ATOM 0 H ASP A 32 -4.382 -4.939 -8.224 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.614 -6.787 -9.868 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.299 -6.076 -10.093 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.872 -7.041 -8.694 1.00 18.01 H new ATOM 519 N LYS A 33 -4.890 -7.991 -6.833 1.00 14.22 N ATOM 520 CA LYS A 33 -5.074 -9.097 -5.896 1.00 14.00 C ATOM 521 C LYS A 33 -6.451 -9.251 -5.345 1.00 12.37 C ATOM 522 O LYS A 33 -6.946 -10.338 -5.236 1.00 12.17 O ATOM 523 CB LYS A 33 -4.163 -8.873 -4.605 1.00 18.62 C ATOM 524 CG LYS A 33 -2.678 -9.121 -4.835 1.00 24.00 C ATOM 525 CD LYS A 33 -2.303 -10.595 -4.539 1.00 27.61 C ATOM 526 CE LYS A 33 -0.805 -10.857 -4.904 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.387 -12.247 -4.663 1.00 30.06 N ATOM 0 H LYS A 33 -4.277 -7.259 -6.474 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.823 -9.976 -6.490 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.298 -7.851 -4.252 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.511 -9.533 -3.810 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.422 -8.878 -5.866 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.093 -8.459 -4.197 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.472 -10.816 -3.485 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.946 -11.263 -5.112 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.645 -10.613 -5.954 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.173 -10.187 -4.321 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.403 -12.260 -3.986 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.186 -12.787 -4.273 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.082 -12.678 -5.559 1.00 30.06 H new ATOM 541 N GLU A 34 -7.083 -8.163 -4.825 1.00 10.11 N ATOM 542 CA GLU A 34 -8.223 -8.171 -3.924 1.00 10.07 C ATOM 543 C GLU A 34 -9.372 -7.350 -4.513 1.00 9.32 C ATOM 544 O GLU A 34 -10.427 -7.178 -3.889 1.00 11.61 O ATOM 545 CB GLU A 34 -7.948 -7.610 -2.471 1.00 14.77 C ATOM 546 CG GLU A 34 -7.038 -8.537 -1.721 1.00 18.75 C ATOM 547 CD GLU A 34 -7.509 -9.976 -1.751 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.585 -10.332 -1.175 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.787 -10.838 -2.280 1.00 21.95 O ATOM 0 H GLU A 34 -6.778 -7.215 -5.048 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.468 -9.228 -3.822 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.498 -6.620 -2.535 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.889 -7.498 -1.932 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.036 -8.479 -2.147 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.963 -8.206 -0.685 1.00 18.75 H new ATOM 556 N GLY A 35 -9.254 -6.745 -5.714 1.00 7.22 N ATOM 557 CA GLY A 35 -10.346 -6.038 -6.373 1.00 6.29 C ATOM 558 C GLY A 35 -10.522 -4.615 -5.904 1.00 6.93 C ATOM 559 O GLY A 35 -11.351 -3.889 -6.469 1.00 7.41 O ATOM 0 H GLY A 35 -8.386 -6.740 -6.249 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.169 -6.037 -7.448 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.274 -6.584 -6.204 1.00 6.29 H new ATOM 563 N ILE A 36 -9.721 -4.110 -4.894 1.00 5.86 N ATOM 564 CA ILE A 36 -9.905 -2.811 -4.229 1.00 6.07 C ATOM 565 C ILE A 36 -9.384 -1.689 -5.107 1.00 6.36 C ATOM 566 O ILE A 36 -8.189 -1.502 -5.307 1.00 6.18 O ATOM 567 CB ILE A 36 -9.262 -2.777 -2.859 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.872 -3.969 -2.055 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.667 -1.401 -2.255 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.310 -4.008 -0.667 1.00 9.49 C ATOM 0 H ILE A 36 -8.920 -4.626 -4.531 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.975 -2.666 -4.078 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.177 -2.876 -2.857 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.957 -3.869 -2.012 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.659 -4.908 -2.567 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.237 -1.301 -1.258 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.294 -0.600 -2.893 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.753 -1.338 -2.190 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.746 -4.845 -0.121 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.228 -4.131 -0.716 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.546 -3.077 -0.152 1.00 9.49 H new ATOM 582 N PRO A 37 -10.165 -0.764 -5.685 1.00 8.65 N ATOM 583 CA PRO A 37 -9.688 0.432 -6.436 1.00 9.18 C ATOM 584 C PRO A 37 -9.033 1.518 -5.561 1.00 9.85 C ATOM 585 O PRO A 37 -9.434 1.705 -4.417 1.00 8.51 O ATOM 586 CB PRO A 37 -11.046 0.985 -7.003 1.00 11.42 C ATOM 587 CG PRO A 37 -12.093 0.773 -5.862 1.00 9.27 C ATOM 588 CD PRO A 37 -11.611 -0.604 -5.284 1.00 8.33 C ATOM 0 HA PRO A 37 -8.915 0.173 -7.160 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.961 2.039 -7.266 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.339 0.453 -7.908 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.062 1.569 -5.118 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.115 0.729 -6.240 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.716 -0.626 -4.199 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.214 -1.421 -5.679 1.00 8.33 H new ATOM 596 N PRO A 38 -8.020 2.216 -6.006 1.00 8.71 N ATOM 597 CA PRO A 38 -7.152 3.044 -5.131 1.00 9.08 C ATOM 598 C PRO A 38 -7.725 4.072 -4.187 1.00 9.28 C ATOM 599 O PRO A 38 -7.169 4.190 -3.107 1.00 6.50 O ATOM 600 CB PRO A 38 -6.170 3.695 -6.112 1.00 10.31 C ATOM 601 CG PRO A 38 -6.094 2.723 -7.279 1.00 10.81 C ATOM 602 CD PRO A 38 -7.455 1.973 -7.320 1.00 12.00 C ATOM 0 HA PRO A 38 -6.750 2.363 -4.381 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.522 4.675 -6.434 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.192 3.843 -5.655 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.915 3.253 -8.214 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.269 2.023 -7.147 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.100 2.356 -8.111 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.320 0.908 -7.507 1.00 12.00 H new ATOM 610 N ASP A 39 -8.786 4.775 -4.529 1.00 11.20 N ATOM 611 CA ASP A 39 -9.438 5.653 -3.662 1.00 14.96 C ATOM 612 C ASP A 39 -10.059 5.037 -2.415 1.00 13.99 C ATOM 613 O ASP A 39 -10.325 5.723 -1.454 1.00 13.75 O ATOM 614 CB ASP A 39 -10.481 6.462 -4.464 1.00 24.16 C ATOM 615 CG ASP A 39 -9.877 7.081 -5.703 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.979 7.922 -5.566 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.238 6.688 -6.853 1.00 35.55 O ATOM 0 H ASP A 39 -9.209 4.728 -5.456 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.659 6.298 -3.255 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.307 5.810 -4.749 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.898 7.246 -3.832 1.00 24.16 H new ATOM 622 N GLN A 40 -10.259 3.675 -2.405 1.00 11.60 N ATOM 623 CA GLN A 40 -10.815 2.920 -1.293 1.00 10.76 C ATOM 624 C GLN A 40 -9.550 2.402 -0.542 1.00 8.01 C ATOM 625 O GLN A 40 -9.754 1.598 0.342 1.00 8.96 O ATOM 626 CB GLN A 40 -11.724 1.821 -1.770 1.00 11.14 C ATOM 627 CG GLN A 40 -13.195 2.327 -2.074 1.00 14.85 C ATOM 628 CD GLN A 40 -14.165 1.163 -2.452 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.639 1.029 -3.590 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.449 0.355 -1.373 1.00 18.16 N ATOM 0 H GLN A 40 -10.023 3.086 -3.203 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.456 3.512 -0.640 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.305 1.375 -2.672 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.764 1.036 -1.015 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.583 2.849 -1.200 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.165 3.050 -2.890 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.012 0.538 -0.470 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.096 -0.427 -1.477 1.00 18.16 H new ATOM 639 N GLN A 41 -8.275 2.754 -0.954 1.00 6.52 N ATOM 640 CA GLN A 41 -7.158 2.300 -0.188 1.00 3.87 C ATOM 641 C GLN A 41 -6.542 3.358 0.751 1.00 4.79 C ATOM 642 O GLN A 41 -5.822 4.238 0.317 1.00 6.34 O ATOM 643 CB GLN A 41 -6.077 1.761 -1.108 1.00 4.20 C ATOM 644 CG GLN A 41 -6.461 0.526 -1.891 1.00 3.20 C ATOM 645 CD GLN A 41 -5.354 -0.082 -2.750 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.181 -0.219 -2.369 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.812 -0.463 -3.954 1.00 7.13 N ATOM 0 H GLN A 41 -8.052 3.320 -1.772 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.556 1.516 0.457 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.795 2.545 -1.811 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.193 1.534 -0.512 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.810 -0.232 -1.190 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.303 0.775 -2.537 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.792 -0.317 -4.196 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.180 -0.898 -4.626 1.00 7.13 H new ATOM 656 N ARG A 42 -6.645 3.142 2.069 1.00 5.73 N ATOM 657 CA ARG A 42 -5.911 3.933 2.945 1.00 6.97 C ATOM 658 C ARG A 42 -4.681 3.266 3.411 1.00 7.15 C ATOM 659 O ARG A 42 -4.807 2.242 4.108 1.00 7.33 O ATOM 660 CB ARG A 42 -6.869 4.224 4.181 1.00 13.23 C ATOM 661 CG ARG A 42 -6.856 5.658 4.565 1.00 21.27 C ATOM 662 CD ARG A 42 -5.974 6.036 5.690 1.00 26.14 C ATOM 663 NE ARG A 42 -5.842 7.557 5.715 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.949 8.257 6.871 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.004 7.732 8.082 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.121 9.584 6.845 1.00 36.39 N ATOM 0 H ARG A 42 -7.230 2.429 2.504 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.589 4.845 2.442 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.887 3.924 3.930 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.559 3.617 5.032 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.563 6.241 3.692 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.875 5.952 4.818 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.387 5.677 6.632 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.994 5.573 5.575 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.670 8.057 4.843 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.966 6.720 8.201 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.085 8.339 8.898 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.172 10.074 5.952 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.201 10.105 7.718 1.00 36.39 H new ATOM 680 N LEU A 43 -3.459 3.782 3.094 1.00 4.65 N ATOM 681 CA LEU A 43 -2.217 3.081 3.402 1.00 3.51 C ATOM 682 C LEU A 43 -1.523 3.741 4.634 1.00 5.56 C ATOM 683 O LEU A 43 -0.969 4.853 4.555 1.00 4.19 O ATOM 684 CB LEU A 43 -1.284 3.000 2.155 1.00 3.74 C ATOM 685 CG LEU A 43 -1.789 2.042 1.040 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.791 2.017 -0.085 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.921 0.682 1.684 1.00 6.41 C ATOM 0 H LEU A 43 -3.327 4.679 2.627 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.449 2.050 3.670 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.170 3.999 1.735 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.295 2.675 2.477 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.743 2.360 0.621 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.143 1.346 -0.869 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.676 3.022 -0.492 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.170 1.665 0.289 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.274 -0.038 0.945 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.950 0.364 2.065 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.634 0.737 2.507 1.00 6.41 H new ATOM 699 N ILE A 44 -1.510 2.938 5.742 1.00 4.58 N ATOM 700 CA ILE A 44 -0.760 3.279 6.967 1.00 5.55 C ATOM 701 C ILE A 44 0.520 2.458 7.053 1.00 5.46 C ATOM 702 O ILE A 44 0.529 1.229 7.079 1.00 6.04 O ATOM 703 CB ILE A 44 -1.556 3.102 8.257 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.864 3.923 8.170 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.708 3.462 9.478 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.715 5.440 7.922 1.00 13.90 C ATOM 0 H ILE A 44 -2.014 2.053 5.799 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.533 4.342 6.881 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.830 2.054 8.380 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.475 3.506 7.370 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.416 3.783 9.099 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.299 3.327 10.384 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.168 2.814 9.516 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.388 4.501 9.405 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.702 5.901 7.882 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.139 5.886 8.733 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.199 5.605 6.976 1.00 13.90 H new ATOM 718 N PHE A 45 1.675 3.130 7.127 1.00 6.75 N ATOM 719 CA PHE A 45 2.930 2.476 7.294 1.00 4.70 C ATOM 720 C PHE A 45 3.636 3.158 8.462 1.00 6.34 C ATOM 721 O PHE A 45 3.981 4.342 8.325 1.00 5.45 O ATOM 722 CB PHE A 45 3.852 2.548 6.017 1.00 5.51 C ATOM 723 CG PHE A 45 5.302 2.214 6.190 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.708 0.948 6.669 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.325 3.186 5.890 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.078 0.669 6.873 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.693 2.952 6.235 1.00 6.64 C ATOM 728 CZ PHE A 45 8.035 1.710 6.745 1.00 6.84 C ATOM 0 H PHE A 45 1.740 4.146 7.070 1.00 6.75 H new ATOM 0 HA PHE A 45 2.744 1.417 7.474 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.439 1.874 5.266 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.786 3.557 5.611 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.968 0.190 6.880 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.053 4.107 5.396 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.396 -0.332 7.125 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.439 3.722 6.102 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.054 1.529 7.053 1.00 6.84 H new ATOM 738 N ALA A 46 3.992 2.417 9.467 1.00 6.53 N ATOM 739 CA ALA A 46 4.857 2.943 10.541 1.00 7.15 C ATOM 740 C ALA A 46 4.384 4.255 11.224 1.00 9.00 C ATOM 741 O ALA A 46 5.138 5.063 11.804 1.00 11.15 O ATOM 742 CB ALA A 46 6.351 3.119 10.057 1.00 8.99 C ATOM 0 H ALA A 46 3.710 1.444 9.588 1.00 6.53 H new ATOM 0 HA ALA A 46 4.786 2.170 11.306 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.955 3.508 10.876 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.747 2.154 9.740 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.383 3.816 9.220 1.00 8.99 H new ATOM 748 N GLY A 47 3.046 4.401 11.334 1.00 9.35 N ATOM 749 CA GLY A 47 2.337 5.555 11.953 1.00 11.68 C ATOM 750 C GLY A 47 2.130 6.689 11.049 1.00 11.14 C ATOM 751 O GLY A 47 1.693 7.756 11.469 1.00 13.93 O ATOM 0 H GLY A 47 2.400 3.694 10.982 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.368 5.217 12.321 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.906 5.894 12.819 1.00 11.68 H new ATOM 755 N LYS A 48 2.274 6.510 9.712 1.00 10.47 N ATOM 756 CA LYS A 48 2.203 7.614 8.689 1.00 8.82 C ATOM 757 C LYS A 48 1.578 7.095 7.361 1.00 7.68 C ATOM 758 O LYS A 48 1.477 5.876 7.075 1.00 6.47 O ATOM 759 CB LYS A 48 3.619 8.148 8.348 1.00 9.74 C ATOM 760 CG LYS A 48 4.690 7.188 7.887 1.00 14.14 C ATOM 761 CD LYS A 48 6.041 7.822 7.848 1.00 16.32 C ATOM 762 CE LYS A 48 7.204 7.054 7.292 1.00 20.04 C ATOM 763 NZ LYS A 48 8.474 7.792 7.387 1.00 23.92 N ATOM 0 H LYS A 48 2.444 5.593 9.298 1.00 10.47 H new ATOM 0 HA LYS A 48 1.591 8.406 9.121 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.504 8.904 7.572 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.997 8.657 9.235 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.715 6.327 8.555 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.437 6.815 6.894 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.953 8.743 7.272 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.297 8.108 8.868 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.298 6.109 7.826 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.007 6.812 6.248 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.242 7.215 6.989 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.399 8.682 6.855 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.680 8.001 8.385 1.00 23.92 H new ATOM 777 N GLN A 49 1.053 8.033 6.497 1.00 8.89 N ATOM 778 CA GLN A 49 0.337 7.760 5.304 1.00 7.18 C ATOM 779 C GLN A 49 1.212 7.724 4.120 1.00 8.23 C ATOM 780 O GLN A 49 2.130 8.525 3.910 1.00 9.70 O ATOM 781 CB GLN A 49 -0.848 8.710 5.000 1.00 11.67 C ATOM 782 CG GLN A 49 -1.929 8.850 6.117 1.00 15.82 C ATOM 783 CD GLN A 49 -3.003 9.796 5.613 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.770 9.476 4.705 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.162 11.032 6.234 1.00 20.67 N ATOM 0 H GLN A 49 1.151 9.034 6.669 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.084 6.775 5.504 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.446 9.701 4.788 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.339 8.364 4.091 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.359 7.877 6.355 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.482 9.234 7.034 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.533 11.309 6.988 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.908 11.661 5.935 1.00 20.67 H new ATOM 794 N LEU A 50 0.975 6.692 3.199 1.00 6.51 N ATOM 795 CA LEU A 50 1.667 6.533 1.909 1.00 7.41 C ATOM 796 C LEU A 50 0.980 7.336 0.843 1.00 8.27 C ATOM 797 O LEU A 50 -0.238 7.351 0.816 1.00 8.34 O ATOM 798 CB LEU A 50 1.910 5.095 1.456 1.00 7.13 C ATOM 799 CG LEU A 50 2.554 4.192 2.504 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.997 2.870 1.936 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.778 4.890 3.091 1.00 9.11 C ATOM 0 H LEU A 50 0.285 5.961 3.369 1.00 6.51 H new ATOM 0 HA LEU A 50 2.670 6.923 2.080 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.957 4.658 1.157 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.546 5.111 0.571 1.00 7.13 H new ATOM 0 HG LEU A 50 1.798 4.000 3.266 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.448 2.268 2.725 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.136 2.344 1.525 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.729 3.040 1.146 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.240 4.246 3.840 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.496 5.095 2.297 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.474 5.828 3.556 1.00 9.11 H new ATOM 813 N GLU A 51 1.746 8.034 0.008 1.00 9.43 N ATOM 814 CA GLU A 51 1.257 8.925 -1.002 1.00 11.90 C ATOM 815 C GLU A 51 1.665 8.517 -2.424 1.00 11.49 C ATOM 816 O GLU A 51 2.778 8.146 -2.720 1.00 9.88 O ATOM 817 CB GLU A 51 1.776 10.349 -0.731 1.00 16.56 C ATOM 818 CG GLU A 51 1.226 11.490 -1.613 1.00 26.06 C ATOM 819 CD GLU A 51 1.675 12.886 -1.186 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.861 13.213 -1.428 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.841 13.666 -0.635 1.00 33.44 O ATOM 0 H GLU A 51 2.764 7.981 0.030 1.00 9.43 H new ATOM 0 HA GLU A 51 0.169 8.882 -0.949 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.559 10.594 0.309 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.861 10.337 -0.836 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.538 11.320 -2.643 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.137 11.451 -1.599 1.00 26.06 H new ATOM 828 N ASP A 52 0.623 8.526 -3.325 1.00 12.71 N ATOM 829 CA ASP A 52 0.626 7.980 -4.646 1.00 16.56 C ATOM 830 C ASP A 52 1.818 8.409 -5.546 1.00 15.83 C ATOM 831 O ASP A 52 2.456 7.583 -6.212 1.00 17.21 O ATOM 832 CB ASP A 52 -0.711 8.400 -5.263 1.00 21.05 C ATOM 833 CG ASP A 52 -1.927 7.767 -4.588 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.162 8.108 -3.400 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.653 7.001 -5.253 1.00 28.37 O ATOM 0 H ASP A 52 -0.275 8.950 -3.091 1.00 12.71 H new ATOM 0 HA ASP A 52 0.751 6.899 -4.579 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.801 9.485 -5.209 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.713 8.132 -6.320 1.00 21.05 H new ATOM 840 N GLY A 53 2.095 9.684 -5.485 1.00 15.00 N ATOM 841 CA GLY A 53 3.191 10.206 -6.251 1.00 11.77 C ATOM 842 C GLY A 53 4.545 9.929 -5.701 1.00 11.10 C ATOM 843 O GLY A 53 5.512 10.301 -6.350 1.00 11.25 O ATOM 0 H GLY A 53 1.587 10.368 -4.924 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.136 9.794 -7.259 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.068 11.285 -6.340 1.00 11.77 H new ATOM 847 N ARG A 54 4.638 9.305 -4.512 1.00 8.53 N ATOM 848 CA ARG A 54 5.935 9.036 -3.883 1.00 9.05 C ATOM 849 C ARG A 54 6.148 7.546 -4.013 1.00 8.96 C ATOM 850 O ARG A 54 5.295 6.804 -4.527 1.00 11.60 O ATOM 851 CB ARG A 54 5.952 9.445 -2.345 1.00 7.97 C ATOM 852 CG ARG A 54 5.323 10.848 -2.099 1.00 9.62 C ATOM 853 CD ARG A 54 6.272 11.937 -2.513 1.00 12.20 C ATOM 854 NE ARG A 54 5.529 13.201 -2.187 1.00 18.23 N ATOM 855 CZ ARG A 54 6.154 14.379 -2.049 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.449 14.590 -2.278 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.457 15.472 -1.801 1.00 23.38 N ATOM 0 H ARG A 54 3.834 8.981 -3.974 1.00 8.53 H new ATOM 0 HA ARG A 54 6.719 9.620 -4.366 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.407 8.699 -1.767 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.980 9.441 -1.982 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.392 10.938 -2.659 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.072 10.959 -1.044 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.214 11.875 -1.969 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.512 11.876 -3.574 1.00 12.20 H new ATOM 0 HE ARG A 54 4.517 13.162 -2.067 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.045 13.821 -2.583 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.845 15.521 -2.148 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.442 15.421 -1.714 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.933 16.368 -1.696 1.00 23.38 H new ATOM 871 N THR A 55 7.379 7.101 -3.676 1.00 9.05 N ATOM 872 CA THR A 55 7.878 5.727 -3.834 1.00 9.03 C ATOM 873 C THR A 55 7.956 4.947 -2.521 1.00 8.15 C ATOM 874 O THR A 55 8.103 5.560 -1.440 1.00 5.91 O ATOM 875 CB THR A 55 9.175 5.575 -4.612 1.00 11.15 C ATOM 876 OG1 THR A 55 10.226 6.181 -4.000 1.00 11.95 O ATOM 877 CG2 THR A 55 9.202 6.224 -6.088 1.00 11.71 C ATOM 0 H THR A 55 8.079 7.721 -3.269 1.00 9.05 H new ATOM 0 HA THR A 55 7.103 5.282 -4.457 1.00 9.03 H new ATOM 0 HB THR A 55 9.247 4.489 -4.666 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.125 7.154 -4.064 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.177 6.052 -6.543 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.428 5.763 -6.702 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.019 7.296 -6.017 1.00 11.71 H new ATOM 885 N LEU A 56 8.069 3.598 -2.674 1.00 6.91 N ATOM 886 CA LEU A 56 8.555 2.744 -1.624 1.00 8.29 C ATOM 887 C LEU A 56 9.901 3.180 -1.012 1.00 8.05 C ATOM 888 O LEU A 56 10.084 3.058 0.175 1.00 10.17 O ATOM 889 CB LEU A 56 8.728 1.373 -2.148 1.00 6.60 C ATOM 890 CG LEU A 56 7.322 0.773 -2.531 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.543 -0.301 -3.615 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.445 0.206 -1.338 1.00 8.64 C ATOM 0 H LEU A 56 7.821 3.104 -3.531 1.00 6.91 H new ATOM 0 HA LEU A 56 7.806 2.803 -0.834 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.379 1.386 -3.022 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.211 0.745 -1.400 1.00 6.60 H new ATOM 0 HG LEU A 56 6.723 1.609 -2.894 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.584 -0.734 -3.899 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.009 0.155 -4.489 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.193 -1.084 -3.224 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.503 -0.178 -1.729 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.986 -0.599 -0.839 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.243 1.004 -0.624 1.00 8.64 H new ATOM 904 N SER A 57 10.934 3.651 -1.781 1.00 8.92 N ATOM 905 CA SER A 57 12.299 4.100 -1.288 1.00 9.00 C ATOM 906 C SER A 57 12.097 5.349 -0.454 1.00 9.44 C ATOM 907 O SER A 57 12.699 5.515 0.600 1.00 10.91 O ATOM 908 CB SER A 57 13.259 4.260 -2.477 1.00 10.32 C ATOM 909 OG SER A 57 14.527 4.755 -2.011 1.00 13.59 O ATOM 0 H SER A 57 10.846 3.735 -2.794 1.00 8.92 H new ATOM 0 HA SER A 57 12.776 3.359 -0.646 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.394 3.302 -2.980 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.836 4.948 -3.209 1.00 10.32 H new ATOM 0 HG SER A 57 15.138 4.855 -2.770 1.00 13.59 H new ATOM 915 N ASP A 58 11.200 6.310 -0.925 1.00 9.11 N ATOM 916 CA ASP A 58 10.988 7.590 -0.172 1.00 7.91 C ATOM 917 C ASP A 58 10.424 7.383 1.251 1.00 9.12 C ATOM 918 O ASP A 58 10.699 8.161 2.162 1.00 8.61 O ATOM 919 CB ASP A 58 10.005 8.530 -0.840 1.00 8.41 C ATOM 920 CG ASP A 58 10.518 8.753 -2.260 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.697 9.081 -2.385 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.749 8.610 -3.217 1.00 11.70 O ATOM 0 H ASP A 58 10.648 6.216 -1.777 1.00 9.11 H new ATOM 0 HA ASP A 58 11.993 8.012 -0.147 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.003 8.100 -0.852 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.940 9.473 -0.298 1.00 8.41 H new ATOM 927 N TYR A 59 9.726 6.259 1.520 1.00 7.97 N ATOM 928 CA TYR A 59 9.263 5.886 2.856 1.00 8.45 C ATOM 929 C TYR A 59 10.189 4.803 3.407 1.00 10.98 C ATOM 930 O TYR A 59 9.914 4.290 4.510 1.00 12.95 O ATOM 931 CB TYR A 59 7.846 5.327 2.791 1.00 7.94 C ATOM 932 CG TYR A 59 6.907 6.433 2.381 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.664 7.545 3.193 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.344 6.442 1.075 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.639 8.476 2.831 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.520 7.477 0.656 1.00 6.52 C ATOM 937 CZ TYR A 59 5.117 8.432 1.572 1.00 6.76 C ATOM 938 OH TYR A 59 4.140 9.387 1.227 1.00 7.63 O ATOM 0 H TYR A 59 9.470 5.583 0.801 1.00 7.97 H new ATOM 0 HA TYR A 59 9.270 6.768 3.496 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.797 4.505 2.076 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.554 4.924 3.761 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.247 7.701 4.089 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.561 5.629 0.398 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.284 9.204 3.546 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.197 7.536 -0.373 1.00 6.52 H new ATOM 0 HH TYR A 59 4.576 10.236 1.004 1.00 7.63 H new ATOM 948 N ASN A 60 11.295 4.494 2.693 1.00 12.38 N ATOM 949 CA ASN A 60 12.318 3.504 3.178 1.00 13.94 C ATOM 950 C ASN A 60 11.807 2.164 3.342 1.00 14.16 C ATOM 951 O ASN A 60 11.941 1.484 4.373 1.00 14.26 O ATOM 952 CB ASN A 60 13.078 3.941 4.435 1.00 19.23 C ATOM 953 CG ASN A 60 13.904 5.166 4.067 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.533 6.317 4.364 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.180 4.992 3.683 1.00 24.09 N ATOM 0 H ASN A 60 11.513 4.905 1.785 1.00 12.38 H new ATOM 0 HA ASN A 60 13.038 3.484 2.360 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.383 4.175 5.241 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.722 3.138 4.793 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.813 5.790 3.641 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.515 4.062 3.433 1.00 24.09 H new ATOM 962 N ILE A 61 11.093 1.661 2.325 1.00 11.08 N ATOM 963 CA ILE A 61 10.594 0.288 2.349 1.00 11.78 C ATOM 964 C ILE A 61 11.640 -0.674 1.662 1.00 13.74 C ATOM 965 O ILE A 61 12.007 -0.449 0.497 1.00 14.60 O ATOM 966 CB ILE A 61 9.189 0.242 1.874 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.186 0.846 2.869 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.813 -1.202 1.493 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.835 1.388 2.358 1.00 11.42 C ATOM 0 H ILE A 61 10.852 2.184 1.483 1.00 11.08 H new ATOM 0 HA ILE A 61 10.519 -0.105 3.363 1.00 11.78 H new ATOM 0 HB ILE A 61 9.128 0.874 0.988 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.969 0.083 3.616 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.691 1.663 3.385 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.780 -1.229 1.145 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.473 -1.552 0.699 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.919 -1.848 2.365 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.257 1.775 3.197 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.012 2.189 1.640 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.280 0.584 1.875 1.00 11.42 H new ATOM 981 N GLN A 62 11.985 -1.788 2.387 1.00 13.97 N ATOM 982 CA GLN A 62 12.913 -2.838 1.967 1.00 15.52 C ATOM 983 C GLN A 62 12.251 -4.197 2.158 1.00 13.94 C ATOM 984 O GLN A 62 11.034 -4.297 2.489 1.00 12.15 O ATOM 985 CB GLN A 62 14.243 -2.774 2.790 1.00 19.53 C ATOM 986 CG GLN A 62 15.259 -1.641 2.512 1.00 26.38 C ATOM 987 CD GLN A 62 15.770 -1.623 1.051 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.917 -2.005 0.905 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.980 -1.076 0.098 1.00 32.71 N ATOM 0 H GLN A 62 11.596 -1.964 3.313 1.00 13.97 H new ATOM 0 HA GLN A 62 13.159 -2.689 0.916 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.972 -2.718 3.844 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.763 -3.721 2.645 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.794 -0.682 2.739 1.00 26.38 H new ATOM 0 HG3 GLN A 62 16.109 -1.751 3.186 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.029 -0.788 0.327 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.336 -0.951 -0.850 1.00 32.71 H new ATOM 998 N LYS A 63 13.029 -5.288 1.946 1.00 11.73 N ATOM 999 CA LYS A 63 12.489 -6.596 1.985 1.00 11.97 C ATOM 1000 C LYS A 63 11.714 -7.045 3.223 1.00 10.41 C ATOM 1001 O LYS A 63 12.105 -6.793 4.327 1.00 9.59 O ATOM 1002 CB LYS A 63 13.692 -7.494 1.646 1.00 13.73 C ATOM 1003 CG LYS A 63 14.863 -7.448 2.566 1.00 16.98 C ATOM 1004 CD LYS A 63 16.118 -8.240 2.199 1.00 20.19 C ATOM 1005 CE LYS A 63 15.856 -9.721 1.921 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.226 -10.380 1.815 1.00 25.97 N ATOM 0 H LYS A 63 14.029 -5.248 1.749 1.00 11.73 H new ATOM 0 HA LYS A 63 11.663 -6.655 1.277 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.340 -8.525 1.600 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.038 -7.230 0.647 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.153 -6.403 2.679 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.528 -7.794 3.544 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.575 -7.790 1.318 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.840 -8.155 3.011 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.269 -10.170 2.722 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.289 -9.850 0.999 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.109 -11.396 1.625 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.763 -9.942 1.039 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.743 -10.252 2.708 1.00 25.97 H new ATOM 1020 N GLU A 64 10.548 -7.682 2.944 1.00 10.04 N ATOM 1021 CA GLU A 64 9.770 -8.308 3.982 1.00 10.94 C ATOM 1022 C GLU A 64 8.987 -7.319 4.882 1.00 9.74 C ATOM 1023 O GLU A 64 8.419 -7.660 5.913 1.00 9.42 O ATOM 1024 CB GLU A 64 10.457 -9.431 4.730 1.00 18.31 C ATOM 1025 CG GLU A 64 10.938 -10.595 3.866 1.00 24.16 C ATOM 1026 CD GLU A 64 11.694 -11.612 4.787 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.155 -11.863 5.878 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.774 -12.179 4.384 1.00 32.61 O ATOM 0 H GLU A 64 10.149 -7.762 2.009 1.00 10.04 H new ATOM 0 HA GLU A 64 8.996 -8.832 3.421 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.313 -9.019 5.264 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.769 -9.818 5.482 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.093 -11.080 3.378 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.598 -10.235 3.077 1.00 24.16 H new ATOM 1035 N SER A 65 8.906 -5.980 4.444 1.00 6.85 N ATOM 1036 CA SER A 65 8.127 -5.023 5.136 1.00 6.90 C ATOM 1037 C SER A 65 6.619 -5.335 5.320 1.00 4.72 C ATOM 1038 O SER A 65 5.993 -6.055 4.553 1.00 3.91 O ATOM 1039 CB SER A 65 8.205 -3.517 4.556 1.00 7.28 C ATOM 1040 OG SER A 65 7.884 -2.514 5.459 1.00 10.56 O ATOM 0 H SER A 65 9.389 -5.618 3.622 1.00 6.85 H new ATOM 0 HA SER A 65 8.623 -5.095 6.104 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.215 -3.340 4.186 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.534 -3.440 3.700 1.00 7.28 H new ATOM 0 HG SER A 65 7.961 -1.641 5.020 1.00 10.56 H new ATOM 1046 N THR A 66 6.033 -4.781 6.404 1.00 4.48 N ATOM 1047 CA THR A 66 4.569 -4.876 6.670 1.00 3.80 C ATOM 1048 C THR A 66 4.041 -3.490 6.708 1.00 4.60 C ATOM 1049 O THR A 66 4.490 -2.623 7.483 1.00 5.33 O ATOM 1050 CB THR A 66 4.147 -5.601 7.961 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.398 -6.997 7.729 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.627 -5.449 8.269 1.00 3.40 C ATOM 0 H THR A 66 6.548 -4.261 7.114 1.00 4.48 H new ATOM 0 HA THR A 66 4.158 -5.491 5.869 1.00 3.80 H new ATOM 0 HB THR A 66 4.699 -5.179 8.801 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.147 -7.511 8.525 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.387 -5.980 9.190 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.383 -4.393 8.385 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.046 -5.867 7.447 1.00 3.40 H new ATOM 1060 N LEU A 67 3.126 -3.244 5.750 1.00 4.17 N ATOM 1061 CA LEU A 67 2.379 -2.045 5.424 1.00 3.85 C ATOM 1062 C LEU A 67 0.982 -2.360 5.835 1.00 3.80 C ATOM 1063 O LEU A 67 0.645 -3.556 5.805 1.00 5.54 O ATOM 1064 CB LEU A 67 2.431 -1.815 3.937 1.00 7.18 C ATOM 1065 CG LEU A 67 3.659 -1.101 3.311 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.996 -1.600 3.831 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.458 -1.275 1.753 1.00 11.66 C ATOM 0 H LEU A 67 2.870 -3.994 5.108 1.00 4.17 H new ATOM 0 HA LEU A 67 2.770 -1.153 5.914 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.339 -2.788 3.454 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.546 -1.239 3.666 1.00 7.18 H new ATOM 0 HG LEU A 67 3.703 -0.049 3.592 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.803 -1.052 3.345 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.049 -1.444 4.908 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.097 -2.663 3.613 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.284 -0.799 1.224 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.433 -2.336 1.506 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.519 -0.810 1.453 1.00 11.66 H new ATOM 1079 N HIS A 68 0.087 -1.442 6.253 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.251 -1.731 6.656 1.00 4.17 C ATOM 1081 C HIS A 68 -2.165 -1.114 5.657 1.00 5.32 C ATOM 1082 O HIS A 68 -1.768 -0.083 5.041 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.566 -1.273 8.111 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.619 -1.894 9.116 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.715 -1.477 9.382 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.808 -2.944 9.974 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.199 -2.300 10.343 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.318 -3.207 10.754 1.00 16.30 N ATOM 0 H HIS A 68 0.312 -0.449 6.311 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.395 -2.811 6.679 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.499 -0.187 8.172 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.591 -1.544 8.363 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.728 -3.507 10.040 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.202 -2.227 10.737 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.437 -3.924 11.469 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.352 -1.772 5.347 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.291 -1.278 4.383 1.00 3.97 C ATOM 1098 C LEU A 69 -5.561 -1.171 5.124 1.00 5.07 C ATOM 1099 O LEU A 69 -6.048 -2.124 5.698 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.441 -2.238 3.179 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.696 -2.131 2.346 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.906 -0.709 1.793 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.462 -3.156 1.218 1.00 9.96 C ATOM 0 H LEU A 69 -3.635 -2.649 5.784 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.968 -0.327 3.960 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.587 -2.084 2.519 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.374 -3.259 3.554 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.600 -2.331 2.921 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.820 -0.680 1.201 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.988 -0.005 2.621 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.058 -0.434 1.165 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.321 -3.161 0.547 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.567 -2.884 0.659 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.332 -4.149 1.649 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.149 -0.027 5.140 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.450 0.202 5.811 1.00 6.26 C ATOM 1117 C VAL A 70 -8.359 0.660 4.704 1.00 9.22 C ATOM 1118 O VAL A 70 -7.947 1.374 3.798 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.446 1.303 6.894 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.825 1.577 7.580 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.450 0.950 7.995 1.00 8.54 C ATOM 0 H VAL A 70 -5.765 0.806 4.693 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.743 -0.712 6.328 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.173 2.209 6.353 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.711 2.366 8.323 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.550 1.888 6.828 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.176 0.668 8.068 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.454 1.732 8.754 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.732 0.001 8.450 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.451 0.864 7.568 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.657 0.284 4.677 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.566 0.715 3.613 1.00 16.06 C ATOM 1133 C LEU A 71 -10.907 2.180 3.709 1.00 18.09 C ATOM 1134 O LEU A 71 -11.401 2.567 4.754 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.882 -0.151 3.724 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.712 -1.640 3.311 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.982 -2.476 3.538 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.323 -1.782 1.813 1.00 19.57 C ATOM 0 H LEU A 71 -10.089 -0.315 5.381 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.075 0.570 2.651 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.242 -0.111 4.752 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.652 0.300 3.099 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.914 -2.016 3.952 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.800 -3.506 3.231 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.248 -2.455 4.595 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.801 -2.061 2.950 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.214 -2.838 1.564 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.102 -1.341 1.191 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.380 -1.267 1.632 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.564 3.024 2.682 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.693 4.484 2.692 1.00 25.83 C ATOM 1152 C ARG A 72 -12.118 4.895 2.272 1.00 27.74 C ATOM 1153 O ARG A 72 -12.720 4.182 1.526 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.640 5.149 1.767 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.653 6.653 1.886 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.536 7.487 1.149 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.798 8.941 1.397 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.072 10.004 0.985 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.992 9.803 0.247 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.488 11.225 1.246 1.00 35.02 N ATOM 0 H ARG A 72 -10.179 2.674 1.805 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.510 4.833 3.708 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.648 4.774 2.019 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.835 4.865 0.733 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.619 7.004 1.523 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.602 6.900 2.946 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.549 7.210 1.519 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.547 7.276 0.080 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.630 9.156 1.947 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.716 8.854 -0.005 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.436 10.597 -0.070 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.358 11.369 1.759 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.941 12.028 0.935 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.675 6.033 2.735 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.990 6.505 2.333 1.00 30.76 C ATOM 1176 C LEU A 73 -13.771 7.492 1.121 1.00 32.18 C ATOM 1177 O LEU A 73 -12.722 8.035 1.045 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.663 7.255 3.538 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.979 6.263 4.717 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.473 6.859 6.004 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.870 5.013 4.344 1.00 29.11 C ATOM 0 H LEU A 73 -12.210 6.646 3.404 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.641 5.681 2.041 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.003 8.047 3.892 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.584 7.733 3.204 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.963 5.916 4.906 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.651 6.064 6.728 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.725 7.547 6.397 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.402 7.399 5.822 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.024 4.398 5.231 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.834 5.353 3.966 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.367 4.424 3.577 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.784 7.532 0.182 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.707 8.298 -1.056 1.00 35.33 C ATOM 1195 C ARG A 74 -14.483 9.831 -0.832 1.00 36.22 C ATOM 1196 O ARG A 74 -13.701 10.446 -1.539 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.970 8.114 -1.966 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.076 6.605 -2.453 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.240 6.348 -3.727 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.420 4.937 -4.236 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.878 4.416 -5.355 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.105 5.114 -6.167 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.188 3.137 -5.621 1.00 41.93 N ATOM 0 H ARG A 74 -15.662 7.024 0.292 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.832 7.887 -1.559 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.869 8.390 -1.415 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.907 8.779 -2.827 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.737 5.942 -1.657 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.120 6.360 -2.649 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.532 7.055 -4.503 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.186 6.527 -3.513 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.009 4.318 -3.679 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.896 6.090 -5.958 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.717 4.677 -7.003 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.801 2.619 -4.991 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.810 2.683 -6.453 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.237 10.346 0.098 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.189 11.702 0.550 1.00 36.07 C ATOM 1219 C GLY A 75 -14.316 12.026 1.724 1.00 36.16 C ATOM 1220 O GLY A 75 -14.272 13.136 2.219 1.00 36.26 O ATOM 0 H GLY A 75 -15.942 9.795 0.588 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.865 12.321 -0.287 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.206 12.007 0.797 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.470 11.087 2.081 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.724 11.054 3.317 1.00 36.19 C ATOM 1226 C GLY A 76 -11.231 10.929 3.033 1.00 36.20 C ATOM 1227 O GLY A 76 -10.615 11.976 2.801 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.655 9.808 3.122 1.00 0.00 O ATOM 0 H GLY A 76 -13.274 10.283 1.485 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.917 11.961 3.890 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.056 10.214 3.927 1.00 36.19 H new TER 1232 GLY A 76