USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -66:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 0.00955 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 178:sc= 0.981 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -9:sc= 0.865 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0234 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -173:sc=-0.00585 (180deg=-0.0363) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.31 (180deg=2.09) USER MOD Single : A 2 GLN : amide:sc= -0.264 K(o=-0.26,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0.503 (180deg=0.456) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.392 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.402 K(o=-0.4,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.892) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0.622 (180deg=0.468) USER MOD Single : A 40 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 0.846 K(o=0.85,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 140:sc= 0.97 USER MOD Single : A 60 ASN : amide:sc= -0.0155 K(o=-0.015,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.16) 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.317 -7.865 -5.060 1.00 9.67 N ATOM 2 CA MET A 1 11.186 -8.131 -3.610 1.00 10.38 C ATOM 3 C MET A 1 9.850 -8.267 -3.077 1.00 9.62 C ATOM 4 O MET A 1 8.876 -7.788 -3.633 1.00 9.62 O ATOM 5 CB MET A 1 11.848 -7.065 -2.695 1.00 13.77 C ATOM 6 CG MET A 1 11.197 -5.647 -2.484 1.00 16.29 C ATOM 7 SD MET A 1 12.068 -4.509 -1.417 1.00 17.17 S ATOM 8 CE MET A 1 10.762 -3.407 -0.980 1.00 16.11 C ATOM 0 H1 MET A 1 12.319 -7.723 -5.298 1.00 9.67 H new ATOM 0 H2 MET A 1 10.946 -8.675 -5.596 1.00 9.67 H new ATOM 0 H3 MET A 1 10.778 -7.010 -5.306 1.00 9.67 H new ATOM 0 HA MET A 1 11.697 -9.093 -3.583 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.954 -7.516 -1.708 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.854 -6.898 -3.079 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.084 -5.177 -3.461 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.194 -5.790 -2.081 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.168 -2.567 -0.417 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.279 -3.038 -1.885 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.030 -3.934 -0.368 1.00 16.11 H new ATOM 20 N GLN A 2 9.649 -8.971 -1.970 1.00 9.27 N ATOM 21 CA GLN A 2 8.326 -9.199 -1.336 1.00 9.07 C ATOM 22 C GLN A 2 8.016 -8.145 -0.300 1.00 8.72 C ATOM 23 O GLN A 2 8.939 -7.734 0.395 1.00 8.22 O ATOM 24 CB GLN A 2 8.531 -10.637 -0.648 1.00 14.46 C ATOM 25 CG GLN A 2 7.270 -11.360 -0.157 1.00 17.01 C ATOM 26 CD GLN A 2 7.790 -12.620 0.563 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.718 -12.638 1.408 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.146 -13.748 0.151 1.00 19.49 N ATOM 0 H GLN A 2 10.413 -9.418 -1.463 1.00 9.27 H new ATOM 0 HA GLN A 2 7.494 -9.155 -2.039 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.037 -11.286 -1.363 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.203 -10.514 0.201 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.691 -10.730 0.518 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.616 -11.622 -0.989 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.397 -13.685 -0.538 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.413 -14.656 0.532 1.00 19.49 H new ATOM 37 N ILE A 3 6.749 -7.665 -0.062 1.00 5.87 N ATOM 38 CA ILE A 3 6.281 -6.920 1.089 1.00 5.07 C ATOM 39 C ILE A 3 4.901 -7.521 1.337 1.00 4.01 C ATOM 40 O ILE A 3 4.201 -8.077 0.439 1.00 4.61 O ATOM 41 CB ILE A 3 6.117 -5.399 0.934 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.401 -5.101 -0.411 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.489 -4.712 0.917 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.188 -3.621 -0.695 1.00 10.83 C ATOM 0 H ILE A 3 6.000 -7.817 -0.737 1.00 5.87 H new ATOM 0 HA ILE A 3 7.025 -7.008 1.881 1.00 5.07 H new ATOM 0 HB ILE A 3 5.534 -5.021 1.774 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.985 -5.534 -1.223 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.433 -5.602 -0.412 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.356 -3.636 0.807 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.011 -4.919 1.851 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.076 -5.092 0.081 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.682 -3.504 -1.653 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.577 -3.183 0.094 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.153 -3.115 -0.730 1.00 10.83 H new ATOM 56 N PHE A 4 4.404 -7.413 2.571 1.00 4.55 N ATOM 57 CA PHE A 4 3.035 -7.845 2.908 1.00 4.68 C ATOM 58 C PHE A 4 2.152 -6.686 3.282 1.00 5.30 C ATOM 59 O PHE A 4 2.554 -5.819 4.042 1.00 5.58 O ATOM 60 CB PHE A 4 3.084 -8.851 4.125 1.00 4.83 C ATOM 61 CG PHE A 4 4.023 -10.009 3.794 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.441 -11.106 3.141 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.411 -10.083 4.205 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.144 -12.249 2.853 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.187 -11.201 3.732 1.00 10.61 C ATOM 66 CZ PHE A 4 5.483 -12.307 3.196 1.00 8.90 C ATOM 0 H PHE A 4 4.926 -7.030 3.359 1.00 4.55 H new ATOM 0 HA PHE A 4 2.618 -8.323 2.022 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.427 -8.336 5.022 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.084 -9.229 4.338 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.401 -11.049 2.854 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.847 -9.328 4.842 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.662 -13.086 2.369 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.266 -11.196 3.784 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.014 -13.236 3.049 1.00 8.90 H new ATOM 76 N VAL A 5 0.899 -6.629 2.827 1.00 4.44 N ATOM 77 CA VAL A 5 -0.123 -5.558 3.214 1.00 3.87 C ATOM 78 C VAL A 5 -1.158 -6.327 3.905 1.00 4.93 C ATOM 79 O VAL A 5 -1.659 -7.348 3.517 1.00 6.84 O ATOM 80 CB VAL A 5 -0.698 -4.963 1.962 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.457 -3.632 2.368 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.432 -4.575 0.996 1.00 9.13 C ATOM 0 H VAL A 5 0.526 -7.315 2.171 1.00 4.44 H new ATOM 0 HA VAL A 5 0.290 -4.748 3.815 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.361 -5.684 1.484 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.888 -3.173 1.478 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.252 -3.868 3.076 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.754 -2.939 2.830 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.005 -4.144 0.091 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.084 -3.843 1.473 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.010 -5.462 0.738 1.00 9.13 H new ATOM 92 N LYS A 6 -1.543 -5.765 5.086 1.00 6.04 N ATOM 93 CA LYS A 6 -2.617 -6.297 5.943 1.00 6.12 C ATOM 94 C LYS A 6 -3.494 -5.257 6.510 1.00 6.57 C ATOM 95 O LYS A 6 -3.232 -4.077 6.714 1.00 5.76 O ATOM 96 CB LYS A 6 -1.912 -7.134 7.125 1.00 7.45 C ATOM 97 CG LYS A 6 -0.933 -8.215 6.659 1.00 11.12 C ATOM 98 CD LYS A 6 -0.052 -8.738 7.769 1.00 14.54 C ATOM 99 CE LYS A 6 -0.681 -9.709 8.781 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.912 -11.076 8.251 1.00 20.55 N ATOM 0 H LYS A 6 -1.107 -4.924 5.463 1.00 6.04 H new ATOM 0 HA LYS A 6 -3.269 -6.921 5.331 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.380 -6.439 7.774 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.688 -7.604 7.729 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.495 -9.044 6.229 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.305 -7.810 5.866 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.803 -9.236 7.312 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.336 -7.882 8.321 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.033 -9.775 9.655 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.632 -9.297 9.120 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.306 -11.678 9.002 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.581 -11.032 7.456 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.011 -11.478 7.922 1.00 20.55 H new ATOM 114 N THR A 7 -4.735 -5.704 6.875 1.00 7.41 N ATOM 115 CA THR A 7 -5.785 -4.875 7.437 1.00 7.48 C ATOM 116 C THR A 7 -6.124 -5.383 8.822 1.00 8.75 C ATOM 117 O THR A 7 -5.811 -6.529 9.132 1.00 8.58 O ATOM 118 CB THR A 7 -7.063 -4.830 6.658 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.847 -6.071 6.645 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.815 -4.525 5.182 1.00 9.17 C ATOM 0 H THR A 7 -5.013 -6.680 6.773 1.00 7.41 H new ATOM 0 HA THR A 7 -5.377 -3.864 7.428 1.00 7.48 H new ATOM 0 HB THR A 7 -7.618 -4.052 7.182 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.660 -5.939 6.114 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.766 -4.501 4.651 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.322 -3.557 5.088 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.179 -5.299 4.752 1.00 9.17 H new ATOM 128 N LEU A 8 -6.836 -4.557 9.648 1.00 9.84 N ATOM 129 CA LEU A 8 -7.204 -4.931 10.995 1.00 14.15 C ATOM 130 C LEU A 8 -8.206 -6.043 11.093 1.00 17.37 C ATOM 131 O LEU A 8 -8.270 -6.683 12.187 1.00 17.01 O ATOM 132 CB LEU A 8 -7.792 -3.718 11.716 1.00 16.63 C ATOM 133 CG LEU A 8 -6.870 -2.480 12.020 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.543 -1.273 12.525 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.705 -2.775 12.929 1.00 18.59 C ATOM 0 H LEU A 8 -7.155 -3.627 9.375 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.282 -5.290 11.451 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.634 -3.361 11.123 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.196 -4.066 12.666 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.509 -2.263 11.015 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.805 -0.490 12.697 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.273 -0.929 11.792 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.051 -1.504 13.461 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.125 -1.865 13.084 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.075 -3.137 13.888 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.072 -3.536 12.474 1.00 18.59 H new ATOM 147 N THR A 9 -8.990 -6.273 10.038 1.00 18.33 N ATOM 148 CA THR A 9 -10.073 -7.284 9.973 1.00 19.24 C ATOM 149 C THR A 9 -9.617 -8.538 9.346 1.00 19.48 C ATOM 150 O THR A 9 -10.388 -9.396 8.914 1.00 23.14 O ATOM 151 CB THR A 9 -11.335 -6.824 9.309 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.086 -6.495 7.960 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.684 -5.462 9.939 1.00 19.70 C ATOM 0 H THR A 9 -8.893 -5.747 9.169 1.00 18.33 H new ATOM 0 HA THR A 9 -10.323 -7.459 11.019 1.00 19.24 H new ATOM 0 HB THR A 9 -12.094 -7.600 9.409 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.918 -6.198 7.537 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.600 -5.078 9.490 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.829 -5.584 11.012 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.870 -4.759 9.761 1.00 19.70 H new ATOM 161 N GLY A 10 -8.251 -8.763 9.319 1.00 19.43 N ATOM 162 CA GLY A 10 -7.569 -10.037 9.005 1.00 18.74 C ATOM 163 C GLY A 10 -7.352 -10.311 7.533 1.00 17.62 C ATOM 164 O GLY A 10 -7.256 -11.470 7.167 1.00 19.74 O ATOM 0 H GLY A 10 -7.587 -8.017 9.527 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.601 -10.044 9.505 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.152 -10.855 9.428 1.00 18.74 H new ATOM 168 N LYS A 11 -7.352 -9.317 6.642 1.00 13.56 N ATOM 169 CA LYS A 11 -6.891 -9.508 5.260 1.00 11.91 C ATOM 170 C LYS A 11 -5.382 -9.618 5.259 1.00 10.18 C ATOM 171 O LYS A 11 -4.742 -9.002 6.087 1.00 9.10 O ATOM 172 CB LYS A 11 -7.252 -8.207 4.381 1.00 13.43 C ATOM 173 CG LYS A 11 -7.112 -8.430 2.873 1.00 16.69 C ATOM 174 CD LYS A 11 -8.134 -9.463 2.307 1.00 17.92 C ATOM 175 CE LYS A 11 -8.129 -9.570 0.728 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.805 -10.781 0.352 1.00 21.93 N ATOM 0 H LYS A 11 -7.666 -8.369 6.851 1.00 13.56 H new ATOM 0 HA LYS A 11 -7.365 -10.401 4.853 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.275 -7.902 4.602 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.602 -7.384 4.680 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.244 -7.479 2.358 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.100 -8.773 2.655 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.915 -10.444 2.729 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.135 -9.189 2.640 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.627 -8.706 0.288 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.106 -9.574 0.352 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.886 -10.826 -0.684 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.264 -11.601 0.693 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.755 -10.794 0.774 1.00 21.93 H new ATOM 190 N THR A 12 -4.845 -10.303 4.281 1.00 9.63 N ATOM 191 CA THR A 12 -3.447 -10.415 3.990 1.00 9.85 C ATOM 192 C THR A 12 -3.311 -10.452 2.465 1.00 11.66 C ATOM 193 O THR A 12 -3.929 -11.208 1.708 1.00 12.33 O ATOM 194 CB THR A 12 -2.586 -11.557 4.662 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.705 -11.529 6.075 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.119 -11.408 4.257 1.00 9.63 C ATOM 0 H THR A 12 -5.418 -10.832 3.624 1.00 9.63 H new ATOM 0 HA THR A 12 -3.001 -9.543 4.469 1.00 9.85 H new ATOM 0 HB THR A 12 -2.964 -12.518 4.312 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.187 -10.720 6.347 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.531 -12.198 4.724 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.031 -11.482 3.173 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.748 -10.437 4.585 1.00 9.63 H new ATOM 204 N ILE A 13 -2.350 -9.673 1.962 1.00 10.42 N ATOM 205 CA ILE A 13 -1.958 -9.619 0.574 1.00 11.84 C ATOM 206 C ILE A 13 -0.448 -9.728 0.608 1.00 10.55 C ATOM 207 O ILE A 13 0.152 -8.972 1.374 1.00 11.92 O ATOM 208 CB ILE A 13 -2.519 -8.399 -0.058 1.00 14.86 C ATOM 209 CG1 ILE A 13 -4.043 -8.544 -0.282 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.821 -8.123 -1.383 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.710 -7.245 -0.611 1.00 16.46 C ATOM 0 H ILE A 13 -1.807 -9.039 2.548 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.349 -10.420 -0.054 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.349 -7.559 0.616 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.220 -9.253 -1.091 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.499 -8.964 0.615 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.242 -7.225 -1.836 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.755 -7.976 -1.209 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.966 -8.970 -2.054 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.777 -7.411 -0.757 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.561 -6.542 0.208 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.278 -6.835 -1.524 1.00 16.46 H new ATOM 223 N THR A 14 0.163 -10.623 -0.194 1.00 9.39 N ATOM 224 CA THR A 14 1.594 -10.585 -0.451 1.00 9.63 C ATOM 225 C THR A 14 1.767 -9.906 -1.803 1.00 11.20 C ATOM 226 O THR A 14 1.189 -10.341 -2.769 1.00 11.63 O ATOM 227 CB THR A 14 2.153 -11.996 -0.615 1.00 10.38 C ATOM 228 OG1 THR A 14 1.814 -12.785 0.499 1.00 16.30 O ATOM 229 CG2 THR A 14 3.653 -11.954 -0.776 1.00 11.66 C ATOM 0 H THR A 14 -0.326 -11.380 -0.671 1.00 9.39 H new ATOM 0 HA THR A 14 2.100 -10.078 0.371 1.00 9.63 H new ATOM 0 HB THR A 14 1.716 -12.438 -1.511 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.333 -12.493 1.277 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.035 -12.968 -0.892 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.908 -11.367 -1.659 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.101 -11.496 0.106 1.00 11.66 H new ATOM 237 N LEU A 15 2.693 -8.943 -1.933 1.00 8.29 N ATOM 238 CA LEU A 15 3.115 -8.335 -3.164 1.00 9.03 C ATOM 239 C LEU A 15 4.541 -8.602 -3.565 1.00 8.59 C ATOM 240 O LEU A 15 5.432 -9.017 -2.795 1.00 7.79 O ATOM 241 CB LEU A 15 2.917 -6.831 -3.061 1.00 11.08 C ATOM 242 CG LEU A 15 1.513 -6.337 -2.700 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.439 -4.822 -2.650 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.508 -6.743 -3.771 1.00 15.27 C ATOM 0 H LEU A 15 3.183 -8.560 -1.125 1.00 8.29 H new ATOM 0 HA LEU A 15 2.499 -8.792 -3.939 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.613 -6.448 -2.315 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.197 -6.386 -4.016 1.00 11.08 H new ATOM 0 HG LEU A 15 1.289 -6.776 -1.728 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.426 -4.516 -2.391 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.135 -4.448 -1.899 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.703 -4.412 -3.625 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.483 -6.382 -3.495 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.799 -6.308 -4.727 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.488 -7.829 -3.858 1.00 15.27 H new ATOM 256 N GLU A 16 4.754 -8.327 -4.837 1.00 11.04 N ATOM 257 CA GLU A 16 6.025 -8.386 -5.448 1.00 11.50 C ATOM 258 C GLU A 16 6.331 -7.052 -6.147 1.00 10.13 C ATOM 259 O GLU A 16 5.701 -6.602 -7.065 1.00 9.83 O ATOM 260 CB GLU A 16 6.093 -9.518 -6.519 1.00 17.22 C ATOM 261 CG GLU A 16 7.449 -9.650 -7.258 1.00 23.33 C ATOM 262 CD GLU A 16 8.639 -9.939 -6.340 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.446 -10.891 -5.533 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.727 -9.308 -6.502 1.00 28.90 O ATOM 0 H GLU A 16 4.009 -8.050 -5.476 1.00 11.04 H new ATOM 0 HA GLU A 16 6.753 -8.590 -4.663 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.868 -10.468 -6.034 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.311 -9.344 -7.258 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.372 -10.449 -7.996 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.643 -8.728 -7.806 1.00 23.33 H new ATOM 271 N VAL A 17 7.349 -6.387 -5.605 1.00 8.99 N ATOM 272 CA VAL A 17 7.655 -4.980 -5.878 1.00 8.85 C ATOM 273 C VAL A 17 9.119 -4.691 -5.990 1.00 8.04 C ATOM 274 O VAL A 17 9.944 -5.510 -5.559 1.00 8.99 O ATOM 275 CB VAL A 17 7.183 -4.061 -4.743 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.657 -4.398 -4.475 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.893 -4.205 -3.413 1.00 10.54 C ATOM 0 H VAL A 17 8.000 -6.819 -4.949 1.00 8.99 H new ATOM 0 HA VAL A 17 7.143 -4.794 -6.822 1.00 8.85 H new ATOM 0 HB VAL A 17 7.391 -3.048 -5.087 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.280 -3.765 -3.672 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.080 -4.217 -5.382 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.561 -5.445 -4.187 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.468 -3.502 -2.696 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.768 -5.222 -3.042 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.955 -3.994 -3.543 1.00 10.54 H new ATOM 287 N GLU A 18 9.577 -3.579 -6.550 1.00 7.29 N ATOM 288 CA GLU A 18 10.934 -3.094 -6.363 1.00 7.08 C ATOM 289 C GLU A 18 10.914 -1.835 -5.486 1.00 6.45 C ATOM 290 O GLU A 18 9.829 -1.246 -5.338 1.00 5.28 O ATOM 291 CB GLU A 18 11.450 -2.815 -7.831 1.00 10.28 C ATOM 292 CG GLU A 18 11.405 -3.940 -8.865 1.00 12.65 C ATOM 293 CD GLU A 18 12.461 -5.014 -8.670 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.562 -4.756 -8.077 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.231 -6.161 -9.181 1.00 18.17 O ATOM 0 H GLU A 18 9.009 -2.984 -7.153 1.00 7.29 H new ATOM 0 HA GLU A 18 11.591 -3.796 -5.849 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.872 -1.981 -8.229 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.484 -2.479 -7.757 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.420 -4.406 -8.834 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.522 -3.508 -9.859 1.00 12.65 H new ATOM 302 N PRO A 19 12.003 -1.336 -4.842 1.00 7.24 N ATOM 303 CA PRO A 19 11.807 -0.317 -3.844 1.00 7.07 C ATOM 304 C PRO A 19 11.625 1.117 -4.462 1.00 6.65 C ATOM 305 O PRO A 19 11.344 2.046 -3.693 1.00 6.37 O ATOM 306 CB PRO A 19 13.124 -0.457 -3.068 1.00 7.61 C ATOM 307 CG PRO A 19 14.151 -0.894 -4.161 1.00 8.16 C ATOM 308 CD PRO A 19 13.326 -1.987 -4.792 1.00 7.49 C ATOM 0 HA PRO A 19 10.903 -0.433 -3.246 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.414 0.483 -2.598 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.044 -1.199 -2.274 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.400 -0.093 -4.857 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.090 -1.256 -3.743 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.690 -2.261 -5.782 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.317 -2.897 -4.192 1.00 7.49 H new ATOM 316 N SER A 20 11.822 1.218 -5.822 1.00 6.80 N ATOM 317 CA SER A 20 11.528 2.382 -6.554 1.00 6.28 C ATOM 318 C SER A 20 10.016 2.516 -6.986 1.00 8.45 C ATOM 319 O SER A 20 9.610 3.488 -7.716 1.00 7.26 O ATOM 320 CB SER A 20 12.381 2.662 -7.884 1.00 8.57 C ATOM 321 OG SER A 20 13.775 2.486 -7.524 1.00 11.13 O ATOM 0 H SER A 20 12.194 0.458 -6.391 1.00 6.80 H new ATOM 0 HA SER A 20 11.809 3.118 -5.801 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.096 1.974 -8.680 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.201 3.671 -8.255 1.00 8.57 H new ATOM 0 HG SER A 20 14.338 2.646 -8.310 1.00 11.13 H new ATOM 327 N ASP A 21 9.189 1.435 -6.847 1.00 7.50 N ATOM 328 CA ASP A 21 7.787 1.557 -7.197 1.00 7.70 C ATOM 329 C ASP A 21 7.001 2.566 -6.398 1.00 7.08 C ATOM 330 O ASP A 21 7.285 2.842 -5.228 1.00 8.11 O ATOM 331 CB ASP A 21 7.105 0.154 -7.322 1.00 11.00 C ATOM 332 CG ASP A 21 7.681 -0.705 -8.428 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.783 -0.166 -9.574 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.927 -1.892 -8.243 1.00 14.36 O ATOM 0 H ASP A 21 9.477 0.517 -6.508 1.00 7.50 H new ATOM 0 HA ASP A 21 7.773 2.005 -8.191 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.205 -0.375 -6.374 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.038 0.293 -7.499 1.00 11.00 H new ATOM 339 N THR A 22 6.000 3.217 -7.049 1.00 5.37 N ATOM 340 CA THR A 22 5.179 4.199 -6.345 1.00 6.01 C ATOM 341 C THR A 22 3.987 3.585 -5.574 1.00 8.01 C ATOM 342 O THR A 22 3.582 2.448 -5.759 1.00 8.11 O ATOM 343 CB THR A 22 4.512 5.263 -7.264 1.00 8.92 C ATOM 344 OG1 THR A 22 3.882 4.625 -8.368 1.00 10.22 O ATOM 345 CG2 THR A 22 5.510 6.279 -7.742 1.00 9.65 C ATOM 0 H THR A 22 5.758 3.076 -8.030 1.00 5.37 H new ATOM 0 HA THR A 22 5.918 4.646 -5.680 1.00 6.01 H new ATOM 0 HB THR A 22 3.759 5.792 -6.680 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.463 5.301 -8.941 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.010 7.007 -8.381 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.949 6.790 -6.885 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.296 5.779 -8.307 1.00 9.65 H new ATOM 353 N ILE A 23 3.460 4.370 -4.581 1.00 8.32 N ATOM 354 CA ILE A 23 2.305 4.044 -3.790 1.00 9.92 C ATOM 355 C ILE A 23 1.104 3.840 -4.595 1.00 10.01 C ATOM 356 O ILE A 23 0.370 2.875 -4.382 1.00 8.71 O ATOM 357 CB ILE A 23 2.080 5.019 -2.605 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.362 5.257 -1.707 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.814 4.658 -1.794 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.071 3.975 -1.185 1.00 12.30 C ATOM 0 H ILE A 23 3.868 5.270 -4.329 1.00 8.32 H new ATOM 0 HA ILE A 23 2.526 3.079 -3.335 1.00 9.92 H new ATOM 0 HB ILE A 23 1.894 5.995 -3.054 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.082 5.839 -2.282 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.074 5.865 -0.849 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.693 5.365 -0.974 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.060 4.704 -2.444 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.915 3.650 -1.392 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.935 4.257 -0.582 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.376 3.397 -0.576 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.400 3.371 -2.031 1.00 12.30 H new ATOM 372 N GLU A 24 0.861 4.639 -5.685 1.00 9.54 N ATOM 373 CA GLU A 24 -0.151 4.410 -6.682 1.00 11.81 C ATOM 374 C GLU A 24 -0.088 3.012 -7.407 1.00 11.14 C ATOM 375 O GLU A 24 -1.091 2.287 -7.548 1.00 10.62 O ATOM 376 CB GLU A 24 -0.055 5.511 -7.780 1.00 19.24 C ATOM 377 CG GLU A 24 -1.143 5.527 -8.867 1.00 27.76 C ATOM 378 CD GLU A 24 -0.721 6.475 -9.952 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.278 6.197 -10.692 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.481 7.461 -10.217 1.00 34.80 O ATOM 0 H GLU A 24 1.405 5.483 -5.867 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.091 4.435 -6.131 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.061 6.482 -7.284 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.912 5.411 -8.273 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.286 4.526 -9.274 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.097 5.838 -8.443 1.00 27.76 H new ATOM 387 N ASN A 25 1.155 2.597 -7.699 1.00 9.43 N ATOM 388 CA ASN A 25 1.409 1.316 -8.269 1.00 10.96 C ATOM 389 C ASN A 25 1.162 0.250 -7.216 1.00 9.68 C ATOM 390 O ASN A 25 0.590 -0.769 -7.563 1.00 9.33 O ATOM 391 CB ASN A 25 2.899 1.297 -8.708 1.00 16.78 C ATOM 392 CG ASN A 25 3.184 0.066 -9.496 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.198 -0.593 -9.170 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.313 -0.414 -10.401 1.00 24.70 N ATOM 0 H ASN A 25 1.992 3.157 -7.538 1.00 9.43 H new ATOM 0 HA ASN A 25 0.759 1.122 -9.122 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.121 2.181 -9.306 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.545 1.335 -7.831 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.474 -1.325 -10.831 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.491 0.133 -10.658 1.00 24.70 H new ATOM 401 N VAL A 26 1.521 0.390 -5.940 1.00 6.52 N ATOM 402 CA VAL A 26 1.222 -0.569 -4.861 1.00 5.53 C ATOM 403 C VAL A 26 -0.367 -0.762 -4.759 1.00 4.42 C ATOM 404 O VAL A 26 -0.898 -1.889 -4.662 1.00 3.40 O ATOM 405 CB VAL A 26 1.938 -0.171 -3.561 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.531 -1.100 -2.382 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.487 -0.193 -3.754 1.00 8.12 C ATOM 0 H VAL A 26 2.046 1.200 -5.611 1.00 6.52 H new ATOM 0 HA VAL A 26 1.625 -1.557 -5.083 1.00 5.53 H new ATOM 0 HB VAL A 26 1.629 0.845 -3.314 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.055 -0.791 -1.478 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.455 -1.031 -2.219 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.797 -2.130 -2.622 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.974 0.092 -2.821 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.804 -1.197 -4.037 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.766 0.510 -4.539 1.00 8.12 H new ATOM 417 N LYS A 27 -1.161 0.332 -4.801 1.00 2.64 N ATOM 418 CA LYS A 27 -2.597 0.251 -4.800 1.00 4.14 C ATOM 419 C LYS A 27 -3.200 -0.480 -6.006 1.00 5.58 C ATOM 420 O LYS A 27 -4.185 -1.243 -5.900 1.00 4.11 O ATOM 421 CB LYS A 27 -3.306 1.603 -4.783 1.00 3.97 C ATOM 422 CG LYS A 27 -2.988 2.436 -3.515 1.00 7.45 C ATOM 423 CD LYS A 27 -3.591 3.899 -3.461 1.00 9.02 C ATOM 424 CE LYS A 27 -3.415 4.606 -2.045 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.913 6.019 -2.054 1.00 15.47 N ATOM 0 H LYS A 27 -0.801 1.286 -4.836 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.765 -0.303 -3.876 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.015 2.171 -5.667 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.382 1.444 -4.846 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.349 1.886 -2.646 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.905 2.510 -3.418 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.111 4.510 -4.226 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.652 3.856 -3.707 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.954 4.037 -1.287 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.362 4.595 -1.763 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.402 6.572 -1.337 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.753 6.438 -2.992 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.931 6.030 -1.839 1.00 15.47 H new ATOM 439 N ALA A 28 -2.579 -0.283 -7.199 1.00 6.61 N ATOM 440 CA ALA A 28 -2.852 -1.056 -8.438 1.00 7.74 C ATOM 441 C ALA A 28 -2.523 -2.483 -8.298 1.00 9.17 C ATOM 442 O ALA A 28 -3.314 -3.332 -8.747 1.00 11.45 O ATOM 443 CB ALA A 28 -2.095 -0.509 -9.633 1.00 7.68 C ATOM 0 H ALA A 28 -1.862 0.431 -7.328 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.924 -0.951 -8.605 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.327 -1.106 -10.515 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.390 0.526 -9.808 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.024 -0.553 -9.436 1.00 7.68 H new ATOM 449 N LYS A 29 -1.395 -2.873 -7.679 1.00 8.96 N ATOM 450 CA LYS A 29 -1.063 -4.248 -7.454 1.00 7.90 C ATOM 451 C LYS A 29 -2.016 -4.962 -6.391 1.00 6.92 C ATOM 452 O LYS A 29 -2.419 -6.130 -6.453 1.00 6.87 O ATOM 453 CB LYS A 29 0.449 -4.397 -6.985 1.00 10.28 C ATOM 454 CG LYS A 29 1.587 -4.272 -7.940 1.00 14.94 C ATOM 455 CD LYS A 29 2.982 -4.043 -7.294 1.00 19.69 C ATOM 456 CE LYS A 29 4.102 -3.731 -8.283 1.00 22.63 C ATOM 457 NZ LYS A 29 4.603 -4.958 -8.954 1.00 24.98 N ATOM 0 H LYS A 29 -0.696 -2.219 -7.326 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.208 -4.747 -8.412 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.611 -3.654 -6.204 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.538 -5.377 -6.516 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.631 -5.177 -8.546 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.380 -3.444 -8.618 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.906 -3.222 -6.581 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.255 -4.933 -6.727 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.739 -3.029 -9.033 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.923 -3.242 -7.759 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.477 -4.738 -9.472 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.798 -5.689 -8.240 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.885 -5.308 -9.620 1.00 24.98 H new ATOM 471 N ILE A 30 -2.573 -4.232 -5.386 1.00 4.57 N ATOM 472 CA ILE A 30 -3.616 -4.803 -4.528 1.00 5.58 C ATOM 473 C ILE A 30 -4.926 -5.038 -5.255 1.00 7.26 C ATOM 474 O ILE A 30 -5.591 -6.012 -4.987 1.00 9.46 O ATOM 475 CB ILE A 30 -3.859 -3.804 -3.298 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.632 -3.752 -2.314 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.150 -4.024 -2.475 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.558 -2.492 -1.403 1.00 2.00 C ATOM 0 H ILE A 30 -2.316 -3.270 -5.163 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.270 -5.780 -4.190 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.985 -2.848 -3.807 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.660 -4.637 -1.679 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.715 -3.809 -2.901 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.200 -3.287 -1.673 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.019 -3.913 -3.124 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.142 -5.026 -2.047 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.677 -2.556 -0.765 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.493 -1.598 -2.023 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.452 -2.439 -0.782 1.00 2.00 H new ATOM 490 N GLN A 31 -5.261 -4.117 -6.146 1.00 7.06 N ATOM 491 CA GLN A 31 -6.358 -4.221 -7.119 1.00 8.67 C ATOM 492 C GLN A 31 -6.285 -5.392 -8.017 1.00 10.90 C ATOM 493 O GLN A 31 -7.191 -6.196 -8.197 1.00 9.63 O ATOM 494 CB GLN A 31 -6.506 -2.882 -7.819 1.00 9.12 C ATOM 495 CG GLN A 31 -7.879 -2.626 -8.548 1.00 10.76 C ATOM 496 CD GLN A 31 -8.222 -3.572 -9.666 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.433 -3.884 -9.729 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.358 -3.941 -10.634 1.00 14.76 N ATOM 0 H GLN A 31 -4.757 -3.233 -6.221 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.282 -4.433 -6.581 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.357 -2.092 -7.083 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.706 -2.789 -8.553 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.675 -2.670 -7.805 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -7.871 -1.612 -8.947 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.375 -3.678 -10.567 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.688 -4.483 -11.433 1.00 14.76 H new ATOM 507 N ASP A 32 -5.056 -5.637 -8.600 1.00 10.93 N ATOM 508 CA ASP A 32 -4.588 -6.724 -9.420 1.00 14.01 C ATOM 509 C ASP A 32 -4.696 -8.080 -8.716 1.00 14.04 C ATOM 510 O ASP A 32 -5.039 -9.120 -9.303 1.00 13.39 O ATOM 511 CB ASP A 32 -3.182 -6.435 -10.000 1.00 18.01 C ATOM 512 CG ASP A 32 -3.002 -7.170 -11.345 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.692 -6.803 -12.353 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.031 -8.000 -11.464 1.00 26.29 O ATOM 0 H ASP A 32 -4.303 -4.963 -8.461 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.259 -6.798 -10.276 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.052 -5.362 -10.143 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.416 -6.758 -9.295 1.00 18.01 H new ATOM 519 N LYS A 33 -4.271 -8.094 -7.388 1.00 14.22 N ATOM 520 CA LYS A 33 -4.390 -9.332 -6.592 1.00 14.00 C ATOM 521 C LYS A 33 -5.761 -9.714 -6.156 1.00 12.37 C ATOM 522 O LYS A 33 -6.280 -10.836 -6.199 1.00 12.17 O ATOM 523 CB LYS A 33 -3.568 -9.254 -5.315 1.00 18.62 C ATOM 524 CG LYS A 33 -2.066 -9.139 -5.645 1.00 24.00 C ATOM 525 CD LYS A 33 -1.212 -10.406 -5.403 1.00 27.61 C ATOM 526 CE LYS A 33 0.297 -10.256 -5.907 1.00 27.64 C ATOM 527 NZ LYS A 33 1.068 -11.379 -5.495 1.00 30.06 N ATOM 0 H LYS A 33 -3.869 -7.296 -6.895 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.034 -10.084 -7.297 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.883 -8.394 -4.725 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.746 -10.141 -4.706 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.967 -8.854 -6.693 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.647 -8.326 -5.053 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.211 -10.637 -4.338 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.676 -11.251 -5.912 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.318 -10.170 -6.993 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.732 -9.340 -5.507 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.952 -11.412 -6.041 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.289 -11.295 -4.482 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.526 -12.251 -5.660 1.00 30.06 H new ATOM 541 N GLU A 34 -6.458 -8.705 -5.647 1.00 10.11 N ATOM 542 CA GLU A 34 -7.621 -8.840 -4.787 1.00 10.07 C ATOM 543 C GLU A 34 -8.827 -7.962 -5.043 1.00 9.32 C ATOM 544 O GLU A 34 -9.768 -7.944 -4.254 1.00 11.61 O ATOM 545 CB GLU A 34 -7.306 -8.676 -3.271 1.00 14.77 C ATOM 546 CG GLU A 34 -6.533 -9.888 -2.666 1.00 18.75 C ATOM 547 CD GLU A 34 -7.364 -11.155 -2.734 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.594 -11.227 -2.619 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.610 -12.142 -2.850 1.00 25.19 O ATOM 0 H GLU A 34 -6.216 -7.732 -5.832 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.891 -9.859 -5.065 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.718 -7.770 -3.125 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.240 -8.541 -2.726 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.598 -10.033 -3.207 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.272 -9.676 -1.629 1.00 18.75 H new ATOM 556 N GLY A 35 -8.898 -7.197 -6.206 1.00 7.22 N ATOM 557 CA GLY A 35 -10.175 -6.648 -6.707 1.00 6.29 C ATOM 558 C GLY A 35 -10.542 -5.325 -6.003 1.00 6.93 C ATOM 559 O GLY A 35 -11.665 -4.917 -6.154 1.00 7.41 O ATOM 0 H GLY A 35 -8.089 -6.966 -6.783 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.103 -6.481 -7.782 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.971 -7.376 -6.551 1.00 6.29 H new ATOM 563 N ILE A 36 -9.733 -4.732 -5.145 1.00 5.86 N ATOM 564 CA ILE A 36 -10.201 -3.531 -4.394 1.00 6.07 C ATOM 565 C ILE A 36 -9.803 -2.247 -5.125 1.00 6.36 C ATOM 566 O ILE A 36 -8.621 -2.044 -5.420 1.00 6.18 O ATOM 567 CB ILE A 36 -9.534 -3.476 -3.052 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.798 -4.712 -2.243 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.020 -2.201 -2.255 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.013 -4.804 -0.927 1.00 9.49 C ATOM 0 H ILE A 36 -8.780 -5.030 -4.940 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.285 -3.606 -4.302 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.459 -3.414 -3.224 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.863 -4.760 -2.018 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.561 -5.584 -2.852 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.529 -2.171 -1.282 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.766 -1.302 -2.817 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.100 -2.249 -2.115 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.271 -5.730 -0.414 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.944 -4.792 -1.139 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.266 -3.955 -0.292 1.00 9.49 H new ATOM 582 N PRO A 37 -10.716 -1.267 -5.385 1.00 8.65 N ATOM 583 CA PRO A 37 -10.451 -0.032 -6.171 1.00 9.18 C ATOM 584 C PRO A 37 -9.507 0.950 -5.516 1.00 9.85 C ATOM 585 O PRO A 37 -9.767 1.205 -4.337 1.00 8.51 O ATOM 586 CB PRO A 37 -11.749 0.660 -6.444 1.00 11.42 C ATOM 587 CG PRO A 37 -12.785 -0.434 -6.154 1.00 9.27 C ATOM 588 CD PRO A 37 -12.133 -1.384 -5.137 1.00 8.33 C ATOM 0 HA PRO A 37 -9.957 -0.363 -7.085 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.887 1.529 -5.801 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.811 1.013 -7.473 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.703 -0.004 -5.752 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.055 -0.966 -7.066 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.381 -1.100 -4.114 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.476 -2.409 -5.276 1.00 8.33 H new ATOM 596 N PRO A 38 -8.401 1.552 -6.064 1.00 8.71 N ATOM 597 CA PRO A 38 -7.497 2.455 -5.372 1.00 9.08 C ATOM 598 C PRO A 38 -8.124 3.560 -4.589 1.00 9.28 C ATOM 599 O PRO A 38 -7.611 4.018 -3.551 1.00 6.50 O ATOM 600 CB PRO A 38 -6.651 2.980 -6.546 1.00 10.31 C ATOM 601 CG PRO A 38 -6.588 1.796 -7.532 1.00 10.81 C ATOM 602 CD PRO A 38 -7.932 1.206 -7.401 1.00 12.00 C ATOM 0 HA PRO A 38 -6.950 1.944 -4.579 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.109 3.856 -7.005 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.655 3.277 -6.217 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.386 2.126 -8.551 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.805 1.086 -7.266 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.605 1.599 -8.163 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.897 0.125 -7.533 1.00 12.00 H new ATOM 610 N ASP A 39 -9.388 3.957 -5.023 1.00 11.20 N ATOM 611 CA ASP A 39 -10.183 5.028 -4.420 1.00 14.96 C ATOM 612 C ASP A 39 -10.547 4.674 -2.935 1.00 13.99 C ATOM 613 O ASP A 39 -10.581 5.558 -2.109 1.00 13.75 O ATOM 614 CB ASP A 39 -11.435 5.218 -5.274 1.00 24.16 C ATOM 615 CG ASP A 39 -11.137 5.871 -6.555 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.408 6.879 -6.579 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.492 5.233 -7.616 1.00 35.55 O ATOM 0 H ASP A 39 -9.856 3.514 -5.813 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.615 5.958 -4.392 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.896 4.248 -5.461 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.161 5.816 -4.723 1.00 24.16 H new ATOM 622 N GLN A 40 -10.771 3.399 -2.607 1.00 11.60 N ATOM 623 CA GLN A 40 -11.070 2.847 -1.329 1.00 10.76 C ATOM 624 C GLN A 40 -9.852 2.496 -0.453 1.00 8.01 C ATOM 625 O GLN A 40 -9.966 2.353 0.760 1.00 8.96 O ATOM 626 CB GLN A 40 -11.845 1.507 -1.489 1.00 11.14 C ATOM 627 CG GLN A 40 -13.094 1.638 -2.259 1.00 14.85 C ATOM 628 CD GLN A 40 -13.868 0.337 -2.346 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.503 -0.607 -1.661 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.902 0.324 -3.164 1.00 18.16 N ATOM 0 H GLN A 40 -10.739 2.671 -3.321 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.638 3.639 -0.841 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.199 0.780 -1.981 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.077 1.110 -0.501 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.722 2.399 -1.797 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.861 1.985 -3.266 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.138 1.159 -3.701 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.466 -0.521 -3.260 1.00 18.16 H new ATOM 639 N GLN A 41 -8.655 2.427 -1.027 1.00 6.52 N ATOM 640 CA GLN A 41 -7.453 2.124 -0.245 1.00 3.87 C ATOM 641 C GLN A 41 -6.757 3.244 0.420 1.00 4.79 C ATOM 642 O GLN A 41 -6.892 4.373 -0.070 1.00 6.34 O ATOM 643 CB GLN A 41 -6.426 1.505 -1.183 1.00 4.20 C ATOM 644 CG GLN A 41 -7.043 0.320 -1.990 1.00 3.20 C ATOM 645 CD GLN A 41 -6.028 -0.435 -2.842 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.822 -0.448 -2.541 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.404 -1.125 -3.944 1.00 7.13 N ATOM 0 H GLN A 41 -8.488 2.575 -2.022 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.826 1.485 0.555 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.055 2.264 -1.872 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.571 1.151 -0.608 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.511 -0.377 -1.295 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.833 0.704 -2.636 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.384 -1.140 -4.226 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.707 -1.630 -4.492 1.00 7.13 H new ATOM 656 N ARG A 42 -6.139 2.988 1.599 1.00 5.73 N ATOM 657 CA ARG A 42 -5.214 3.932 2.142 1.00 6.97 C ATOM 658 C ARG A 42 -4.048 3.203 2.844 1.00 7.15 C ATOM 659 O ARG A 42 -4.227 2.301 3.631 1.00 7.33 O ATOM 660 CB ARG A 42 -5.978 4.865 3.085 1.00 13.23 C ATOM 661 CG ARG A 42 -5.085 5.854 3.830 1.00 21.27 C ATOM 662 CD ARG A 42 -5.969 6.689 4.809 1.00 26.14 C ATOM 663 NE ARG A 42 -6.661 7.624 3.958 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.744 8.295 4.365 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.228 8.124 5.607 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.337 9.198 3.569 1.00 36.39 N ATOM 0 H ARG A 42 -6.279 2.147 2.159 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.765 4.532 1.350 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.719 5.421 2.510 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.524 4.264 3.812 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.310 5.322 4.382 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.579 6.512 3.124 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.668 6.054 5.353 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.361 7.204 5.553 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.313 7.779 3.012 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.769 7.478 6.249 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.055 8.640 5.908 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.962 9.381 2.638 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.162 9.701 3.895 1.00 36.39 H new ATOM 680 N LEU A 43 -2.809 3.530 2.415 1.00 4.65 N ATOM 681 CA LEU A 43 -1.646 2.832 2.811 1.00 3.51 C ATOM 682 C LEU A 43 -0.927 3.621 3.884 1.00 5.56 C ATOM 683 O LEU A 43 -0.642 4.821 3.737 1.00 4.19 O ATOM 684 CB LEU A 43 -0.751 2.553 1.588 1.00 3.74 C ATOM 685 CG LEU A 43 -1.280 1.345 0.811 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.586 1.256 -0.596 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.149 -0.020 1.579 1.00 6.41 C ATOM 0 H LEU A 43 -2.626 4.303 1.775 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.916 1.865 3.234 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.725 3.429 0.940 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.273 2.366 1.912 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.350 1.512 0.687 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.972 0.392 -1.138 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.795 2.163 -1.163 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.491 1.151 -0.465 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.546 -0.825 0.961 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.099 -0.215 1.798 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.711 0.032 2.512 1.00 6.41 H new ATOM 699 N ILE A 44 -0.668 2.997 5.009 1.00 4.58 N ATOM 700 CA ILE A 44 -0.139 3.617 6.211 1.00 5.55 C ATOM 701 C ILE A 44 1.091 2.782 6.632 1.00 5.46 C ATOM 702 O ILE A 44 0.988 1.542 6.644 1.00 6.04 O ATOM 703 CB ILE A 44 -1.136 3.659 7.347 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.543 4.184 6.962 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.597 4.374 8.690 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.563 5.642 6.541 1.00 13.90 C ATOM 0 H ILE A 44 -0.826 1.996 5.121 1.00 4.58 H new ATOM 0 HA ILE A 44 0.112 4.655 5.994 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.256 2.601 7.582 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.936 3.576 6.148 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.214 4.052 7.811 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.379 4.358 9.450 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.279 3.841 9.059 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.327 5.407 8.469 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.582 5.934 6.288 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.201 6.262 7.361 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.920 5.779 5.672 1.00 13.90 H new ATOM 718 N PHE A 45 2.223 3.459 6.915 1.00 6.75 N ATOM 719 CA PHE A 45 3.425 2.760 7.385 1.00 4.70 C ATOM 720 C PHE A 45 4.220 3.722 8.208 1.00 6.34 C ATOM 721 O PHE A 45 4.235 4.917 7.962 1.00 5.45 O ATOM 722 CB PHE A 45 4.317 2.067 6.225 1.00 5.51 C ATOM 723 CG PHE A 45 5.585 1.468 6.720 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.656 0.092 7.043 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.737 2.211 6.633 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.865 -0.482 7.422 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.955 1.703 7.061 1.00 6.64 C ATOM 728 CZ PHE A 45 8.031 0.331 7.387 1.00 6.84 C ATOM 0 H PHE A 45 2.325 4.470 6.827 1.00 6.75 H new ATOM 0 HA PHE A 45 3.100 1.909 7.983 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.725 1.291 5.739 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.551 2.813 5.465 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.765 -0.517 6.995 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.694 3.209 6.224 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.917 -1.515 7.734 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.823 2.341 7.143 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.991 -0.108 7.614 1.00 6.84 H new ATOM 738 N ALA A 46 4.900 3.193 9.240 1.00 6.53 N ATOM 739 CA ALA A 46 5.654 4.024 10.215 1.00 7.15 C ATOM 740 C ALA A 46 4.867 5.013 11.024 1.00 9.00 C ATOM 741 O ALA A 46 5.374 6.067 11.501 1.00 11.15 O ATOM 742 CB ALA A 46 6.890 4.630 9.548 1.00 8.99 C ATOM 0 H ALA A 46 4.947 2.191 9.427 1.00 6.53 H new ATOM 0 HA ALA A 46 5.968 3.327 10.992 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.434 5.236 10.272 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.537 3.831 9.186 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.582 5.255 8.710 1.00 8.99 H new ATOM 748 N GLY A 47 3.566 4.696 11.239 1.00 9.35 N ATOM 749 CA GLY A 47 2.583 5.662 11.814 1.00 11.68 C ATOM 750 C GLY A 47 2.164 6.754 10.839 1.00 11.14 C ATOM 751 O GLY A 47 1.390 7.669 11.160 1.00 13.93 O ATOM 0 H GLY A 47 3.169 3.781 11.025 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.697 5.117 12.139 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.016 6.124 12.701 1.00 11.68 H new ATOM 755 N LYS A 48 2.604 6.680 9.562 1.00 10.47 N ATOM 756 CA LYS A 48 2.433 7.754 8.638 1.00 8.82 C ATOM 757 C LYS A 48 1.578 7.382 7.410 1.00 7.68 C ATOM 758 O LYS A 48 1.637 6.257 6.901 1.00 6.47 O ATOM 759 CB LYS A 48 3.810 8.244 8.066 1.00 9.74 C ATOM 760 CG LYS A 48 4.798 8.745 9.120 1.00 14.14 C ATOM 761 CD LYS A 48 6.178 9.246 8.441 1.00 16.32 C ATOM 762 CE LYS A 48 7.396 9.249 9.398 1.00 20.04 C ATOM 763 NZ LYS A 48 7.169 10.378 10.331 1.00 23.92 N ATOM 0 H LYS A 48 3.081 5.866 9.174 1.00 10.47 H new ATOM 0 HA LYS A 48 1.931 8.527 9.220 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.272 7.424 7.516 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.626 9.045 7.350 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.349 9.564 9.683 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.009 7.947 9.832 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.403 8.606 7.588 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.033 10.254 8.053 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.473 8.305 9.937 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.327 9.378 8.846 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.959 10.435 11.006 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.108 11.266 9.793 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.281 10.226 10.850 1.00 23.92 H new ATOM 777 N GLN A 49 0.821 8.322 6.820 1.00 8.89 N ATOM 778 CA GLN A 49 -0.007 8.141 5.635 1.00 7.18 C ATOM 779 C GLN A 49 0.911 8.129 4.429 1.00 8.23 C ATOM 780 O GLN A 49 1.629 9.099 4.247 1.00 9.70 O ATOM 781 CB GLN A 49 -1.038 9.266 5.436 1.00 11.67 C ATOM 782 CG GLN A 49 -2.055 9.010 4.258 1.00 15.82 C ATOM 783 CD GLN A 49 -3.191 9.998 4.064 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.120 10.141 4.904 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.278 10.717 2.925 1.00 20.67 N ATOM 0 H GLN A 49 0.774 9.274 7.182 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.561 7.210 5.758 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.598 9.399 6.362 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.508 10.200 5.247 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.486 8.971 3.329 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.494 8.023 4.405 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.551 10.636 2.214 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.071 11.341 2.775 1.00 20.67 H new ATOM 794 N LEU A 50 0.808 7.143 3.533 1.00 6.51 N ATOM 795 CA LEU A 50 1.717 7.102 2.366 1.00 7.41 C ATOM 796 C LEU A 50 1.050 7.804 1.131 1.00 8.27 C ATOM 797 O LEU A 50 -0.062 7.521 0.648 1.00 8.34 O ATOM 798 CB LEU A 50 2.196 5.626 1.945 1.00 7.13 C ATOM 799 CG LEU A 50 2.683 4.687 3.066 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.460 3.545 2.418 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.722 5.454 3.964 1.00 9.11 C ATOM 0 H LEU A 50 0.130 6.382 3.581 1.00 6.51 H new ATOM 0 HA LEU A 50 2.613 7.637 2.680 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.367 5.137 1.434 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.002 5.729 1.219 1.00 7.13 H new ATOM 0 HG LEU A 50 1.829 4.339 3.647 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.817 2.864 3.190 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.808 3.005 1.731 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.311 3.949 1.869 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.071 4.796 4.760 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.569 5.767 3.354 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.247 6.332 4.402 1.00 9.11 H new ATOM 813 N GLU A 51 1.748 8.807 0.565 1.00 9.43 N ATOM 814 CA GLU A 51 1.213 9.589 -0.553 1.00 11.90 C ATOM 815 C GLU A 51 1.449 8.931 -1.915 1.00 11.49 C ATOM 816 O GLU A 51 2.495 8.346 -2.135 1.00 9.88 O ATOM 817 CB GLU A 51 1.836 11.057 -0.472 1.00 16.56 C ATOM 818 CG GLU A 51 1.182 11.956 0.618 1.00 26.06 C ATOM 819 CD GLU A 51 2.023 13.171 0.913 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.223 14.027 -0.009 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.462 13.259 2.104 1.00 32.13 O ATOM 0 H GLU A 51 2.680 9.090 0.866 1.00 9.43 H new ATOM 0 HA GLU A 51 0.128 9.642 -0.462 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.905 10.978 -0.272 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.729 11.542 -1.442 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.192 12.270 0.286 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.043 11.378 1.532 1.00 26.06 H new ATOM 828 N ASP A 52 0.468 9.004 -2.761 1.00 12.71 N ATOM 829 CA ASP A 52 0.391 8.270 -4.026 1.00 16.56 C ATOM 830 C ASP A 52 1.584 8.275 -4.969 1.00 15.83 C ATOM 831 O ASP A 52 2.030 7.265 -5.490 1.00 17.21 O ATOM 832 CB ASP A 52 -0.916 8.521 -4.786 1.00 21.05 C ATOM 833 CG ASP A 52 -2.076 8.267 -3.820 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.374 9.205 -3.026 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.686 7.201 -3.985 1.00 25.82 O ATOM 0 H ASP A 52 -0.346 9.598 -2.599 1.00 12.71 H new ATOM 0 HA ASP A 52 0.415 7.250 -3.641 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.949 9.544 -5.162 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.988 7.861 -5.651 1.00 21.05 H new ATOM 840 N GLY A 53 2.135 9.494 -5.133 1.00 15.00 N ATOM 841 CA GLY A 53 3.274 9.893 -5.965 1.00 11.77 C ATOM 842 C GLY A 53 4.627 9.645 -5.355 1.00 11.10 C ATOM 843 O GLY A 53 5.622 10.097 -5.959 1.00 11.25 O ATOM 0 H GLY A 53 1.752 10.298 -4.635 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.216 9.358 -6.913 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.184 10.955 -6.192 1.00 11.77 H new ATOM 847 N ARG A 54 4.707 9.006 -4.229 1.00 8.53 N ATOM 848 CA ARG A 54 6.032 8.761 -3.604 1.00 9.05 C ATOM 849 C ARG A 54 6.200 7.280 -3.691 1.00 8.96 C ATOM 850 O ARG A 54 5.380 6.475 -4.158 1.00 11.60 O ATOM 851 CB ARG A 54 6.232 9.231 -2.242 1.00 7.97 C ATOM 852 CG ARG A 54 6.144 10.751 -1.975 1.00 9.62 C ATOM 853 CD ARG A 54 7.463 11.482 -2.413 1.00 12.20 C ATOM 854 NE ARG A 54 7.188 12.946 -2.287 1.00 18.23 N ATOM 855 CZ ARG A 54 8.168 13.861 -2.102 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.457 13.543 -2.327 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.854 15.133 -1.842 1.00 23.38 N ATOM 0 H ARG A 54 3.909 8.640 -3.710 1.00 8.53 H new ATOM 0 HA ARG A 54 6.780 9.348 -4.137 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.495 8.738 -1.608 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.214 8.891 -1.913 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.296 11.170 -2.517 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.963 10.927 -0.915 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.300 11.187 -1.781 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.730 11.223 -3.437 1.00 12.20 H new ATOM 0 HE ARG A 54 6.222 13.269 -2.343 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.703 12.604 -2.640 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.187 14.241 -2.184 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.876 15.415 -1.783 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.593 15.822 -1.703 1.00 23.38 H new ATOM 871 N THR A 55 7.411 6.757 -3.349 1.00 9.05 N ATOM 872 CA THR A 55 7.886 5.385 -3.403 1.00 9.03 C ATOM 873 C THR A 55 8.329 4.784 -2.109 1.00 8.15 C ATOM 874 O THR A 55 8.520 5.498 -1.111 1.00 5.91 O ATOM 875 CB THR A 55 9.000 5.257 -4.403 1.00 11.15 C ATOM 876 OG1 THR A 55 10.249 5.802 -3.872 1.00 11.95 O ATOM 877 CG2 THR A 55 8.720 5.845 -5.791 1.00 11.71 C ATOM 0 H THR A 55 8.142 7.372 -2.992 1.00 9.05 H new ATOM 0 HA THR A 55 7.003 4.818 -3.698 1.00 9.03 H new ATOM 0 HB THR A 55 9.090 4.182 -4.561 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.159 6.770 -3.752 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.590 5.697 -6.431 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.857 5.345 -6.231 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.514 6.911 -5.700 1.00 11.71 H new ATOM 885 N LEU A 56 8.352 3.486 -2.054 1.00 6.91 N ATOM 886 CA LEU A 56 8.714 2.646 -0.917 1.00 8.29 C ATOM 887 C LEU A 56 10.035 3.058 -0.224 1.00 8.05 C ATOM 888 O LEU A 56 10.083 3.360 0.995 1.00 10.17 O ATOM 889 CB LEU A 56 8.799 1.174 -1.479 1.00 6.60 C ATOM 890 CG LEU A 56 7.461 0.575 -1.971 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.610 -0.764 -2.585 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.305 0.540 -0.963 1.00 8.64 C ATOM 0 H LEU A 56 8.098 2.925 -2.867 1.00 6.91 H new ATOM 0 HA LEU A 56 7.963 2.750 -0.134 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.510 1.159 -2.305 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.202 0.528 -0.699 1.00 6.60 H new ATOM 0 HG LEU A 56 7.174 1.304 -2.728 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.634 -1.127 -2.908 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.276 -0.698 -3.445 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.030 -1.455 -1.854 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.426 0.097 -1.432 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.594 -0.057 -0.098 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.072 1.555 -0.641 1.00 8.64 H new ATOM 904 N SER A 57 11.119 3.197 -1.063 1.00 8.92 N ATOM 905 CA SER A 57 12.355 3.797 -0.635 1.00 9.00 C ATOM 906 C SER A 57 12.269 5.220 -0.031 1.00 9.44 C ATOM 907 O SER A 57 12.994 5.440 0.927 1.00 10.91 O ATOM 908 CB SER A 57 13.491 3.866 -1.739 1.00 10.32 C ATOM 909 OG SER A 57 13.100 4.613 -2.862 1.00 13.59 O ATOM 0 H SER A 57 11.122 2.888 -2.035 1.00 8.92 H new ATOM 0 HA SER A 57 12.613 3.087 0.151 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.388 4.308 -1.306 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.753 2.855 -2.051 1.00 10.32 H new ATOM 0 HG SER A 57 12.501 4.075 -3.420 1.00 13.59 H new ATOM 915 N ASP A 58 11.395 6.123 -0.555 1.00 9.11 N ATOM 916 CA ASP A 58 11.178 7.377 0.133 1.00 7.91 C ATOM 917 C ASP A 58 10.702 7.226 1.609 1.00 9.12 C ATOM 918 O ASP A 58 11.106 7.991 2.467 1.00 8.61 O ATOM 919 CB ASP A 58 10.144 8.294 -0.515 1.00 8.41 C ATOM 920 CG ASP A 58 10.580 8.626 -1.929 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.742 9.128 -2.087 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.839 8.288 -2.922 1.00 11.70 O ATOM 0 H ASP A 58 10.862 5.994 -1.415 1.00 9.11 H new ATOM 0 HA ASP A 58 12.176 7.812 0.076 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.168 7.808 -0.528 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.037 9.209 0.068 1.00 8.41 H new ATOM 927 N TYR A 59 9.937 6.168 1.952 1.00 7.97 N ATOM 928 CA TYR A 59 9.519 6.054 3.387 1.00 8.45 C ATOM 929 C TYR A 59 10.369 5.083 4.163 1.00 10.98 C ATOM 930 O TYR A 59 10.274 5.088 5.376 1.00 12.95 O ATOM 931 CB TYR A 59 8.076 5.483 3.426 1.00 7.94 C ATOM 932 CG TYR A 59 7.139 6.435 2.788 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.903 7.655 3.364 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.426 6.127 1.606 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.909 8.512 2.871 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.602 7.049 1.017 1.00 6.52 C ATOM 937 CZ TYR A 59 5.242 8.193 1.729 1.00 6.76 C ATOM 938 OH TYR A 59 4.352 9.153 1.227 1.00 7.63 O ATOM 0 H TYR A 59 9.613 5.432 1.325 1.00 7.97 H new ATOM 0 HA TYR A 59 9.610 7.046 3.829 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.041 4.524 2.909 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.776 5.300 4.458 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.494 7.963 4.214 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.533 5.149 1.161 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.673 9.425 3.398 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.235 6.892 0.013 1.00 6.52 H new ATOM 0 HH TYR A 59 4.417 9.179 0.249 1.00 7.63 H new ATOM 948 N ASN A 60 11.347 4.444 3.457 1.00 12.38 N ATOM 949 CA ASN A 60 12.267 3.424 4.035 1.00 13.94 C ATOM 950 C ASN A 60 11.612 2.108 4.282 1.00 14.16 C ATOM 951 O ASN A 60 11.826 1.463 5.322 1.00 14.26 O ATOM 952 CB ASN A 60 13.110 3.872 5.264 1.00 19.23 C ATOM 953 CG ASN A 60 13.950 5.027 4.922 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.401 5.279 3.809 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.282 5.854 5.973 1.00 24.09 N ATOM 0 H ASN A 60 11.518 4.624 2.468 1.00 12.38 H new ATOM 0 HA ASN A 60 12.995 3.298 3.233 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.448 4.129 6.091 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.737 3.047 5.602 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.891 6.657 5.817 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.918 5.663 6.907 1.00 24.09 H new ATOM 962 N ILE A 61 10.833 1.624 3.311 1.00 11.08 N ATOM 963 CA ILE A 61 10.241 0.308 3.244 1.00 11.78 C ATOM 964 C ILE A 61 11.224 -0.594 2.515 1.00 13.74 C ATOM 965 O ILE A 61 11.629 -0.344 1.394 1.00 14.60 O ATOM 966 CB ILE A 61 8.914 0.333 2.492 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.862 1.047 3.346 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.463 -1.084 2.097 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.787 1.624 2.391 1.00 11.42 C ATOM 0 H ILE A 61 10.589 2.191 2.499 1.00 11.08 H new ATOM 0 HA ILE A 61 10.038 -0.055 4.251 1.00 11.78 H new ATOM 0 HB ILE A 61 9.043 0.885 1.561 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.410 0.353 4.055 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.321 1.844 3.930 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.514 -1.028 1.563 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.216 -1.539 1.453 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.339 -1.690 2.995 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.023 2.139 2.973 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.253 2.327 1.701 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.328 0.812 1.827 1.00 11.42 H new ATOM 981 N GLN A 62 11.585 -1.699 3.206 1.00 13.97 N ATOM 982 CA GLN A 62 12.543 -2.665 2.750 1.00 15.52 C ATOM 983 C GLN A 62 11.870 -3.978 2.715 1.00 13.94 C ATOM 984 O GLN A 62 10.729 -4.132 3.142 1.00 12.15 O ATOM 985 CB GLN A 62 13.776 -2.680 3.715 1.00 19.53 C ATOM 986 CG GLN A 62 14.685 -1.440 3.433 1.00 26.38 C ATOM 987 CD GLN A 62 16.103 -1.636 4.060 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.258 -1.764 5.295 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.057 -1.929 3.198 1.00 32.71 N ATOM 0 H GLN A 62 11.192 -1.927 4.119 1.00 13.97 H new ATOM 0 HA GLN A 62 12.911 -2.418 1.754 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.438 -2.667 4.751 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.346 -3.599 3.577 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.776 -1.288 2.358 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.222 -0.543 3.844 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.894 -1.812 2.198 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.958 -2.273 3.531 1.00 32.71 H new ATOM 998 N LYS A 63 12.536 -5.043 2.252 1.00 11.73 N ATOM 999 CA LYS A 63 11.862 -6.319 1.892 1.00 11.97 C ATOM 1000 C LYS A 63 11.206 -7.021 3.118 1.00 10.41 C ATOM 1001 O LYS A 63 11.666 -6.911 4.264 1.00 9.59 O ATOM 1002 CB LYS A 63 12.865 -7.229 1.185 1.00 13.73 C ATOM 1003 CG LYS A 63 13.749 -8.159 2.058 1.00 16.98 C ATOM 1004 CD LYS A 63 15.031 -8.716 1.347 1.00 20.19 C ATOM 1005 CE LYS A 63 15.807 -9.613 2.299 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.206 -10.977 2.340 1.00 25.97 N ATOM 0 H LYS A 63 13.546 -5.056 2.114 1.00 11.73 H new ATOM 0 HA LYS A 63 11.038 -6.094 1.215 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.312 -7.855 0.485 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.528 -6.598 0.593 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.055 -7.612 2.949 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.143 -9.001 2.393 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.748 -9.276 0.456 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.662 -7.890 1.017 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.847 -9.677 1.980 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.806 -9.179 3.299 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.912 -11.657 2.688 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.384 -10.975 2.977 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.902 -11.251 1.384 1.00 25.97 H new ATOM 1020 N GLU A 64 10.043 -7.680 2.875 1.00 10.04 N ATOM 1021 CA GLU A 64 9.367 -8.545 3.812 1.00 10.94 C ATOM 1022 C GLU A 64 8.667 -7.840 4.941 1.00 9.74 C ATOM 1023 O GLU A 64 8.239 -8.472 5.910 1.00 9.42 O ATOM 1024 CB GLU A 64 10.313 -9.639 4.431 1.00 18.31 C ATOM 1025 CG GLU A 64 10.769 -10.711 3.353 1.00 24.16 C ATOM 1026 CD GLU A 64 11.753 -11.716 3.906 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.373 -12.682 4.709 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.931 -11.666 3.529 1.00 31.72 O ATOM 0 H GLU A 64 9.553 -7.605 1.984 1.00 10.04 H new ATOM 0 HA GLU A 64 8.606 -9.014 3.189 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.193 -9.158 4.858 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.797 -10.144 5.248 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.892 -11.237 2.977 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.220 -10.197 2.504 1.00 24.16 H new ATOM 1035 N SER A 65 8.608 -6.523 4.792 1.00 6.85 N ATOM 1036 CA SER A 65 7.972 -5.637 5.794 1.00 6.90 C ATOM 1037 C SER A 65 6.423 -5.694 5.759 1.00 4.72 C ATOM 1038 O SER A 65 5.860 -5.905 4.675 1.00 3.91 O ATOM 1039 CB SER A 65 8.490 -4.219 5.674 1.00 7.28 C ATOM 1040 OG SER A 65 8.408 -3.526 6.970 1.00 10.56 O ATOM 0 H SER A 65 8.992 -6.030 3.986 1.00 6.85 H new ATOM 0 HA SER A 65 8.259 -6.017 6.775 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.523 -4.232 5.327 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.910 -3.676 4.928 1.00 7.28 H new ATOM 0 HG SER A 65 8.748 -2.612 6.874 1.00 10.56 H new ATOM 1046 N THR A 66 5.695 -5.469 6.877 1.00 4.48 N ATOM 1047 CA THR A 66 4.245 -5.290 6.884 1.00 3.80 C ATOM 1048 C THR A 66 3.921 -3.817 6.557 1.00 4.60 C ATOM 1049 O THR A 66 4.233 -2.879 7.282 1.00 5.33 O ATOM 1050 CB THR A 66 3.537 -5.606 8.140 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.800 -6.929 8.502 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.054 -5.679 7.851 1.00 3.40 C ATOM 0 H THR A 66 6.114 -5.408 7.805 1.00 4.48 H new ATOM 0 HA THR A 66 3.892 -6.010 6.145 1.00 3.80 H new ATOM 0 HB THR A 66 3.833 -4.865 8.882 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.332 -7.139 9.337 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.515 -5.912 8.770 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.711 -4.720 7.463 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.865 -6.458 7.112 1.00 3.40 H new ATOM 1060 N LEU A 67 3.126 -3.646 5.517 1.00 4.17 N ATOM 1061 CA LEU A 67 2.401 -2.434 5.247 1.00 3.85 C ATOM 1062 C LEU A 67 0.949 -2.512 5.873 1.00 3.80 C ATOM 1063 O LEU A 67 0.294 -3.566 5.875 1.00 5.54 O ATOM 1064 CB LEU A 67 2.449 -2.188 3.700 1.00 7.18 C ATOM 1065 CG LEU A 67 3.646 -1.388 3.261 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.959 -2.182 3.315 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.416 -0.771 1.892 1.00 11.66 C ATOM 0 H LEU A 67 2.967 -4.374 4.820 1.00 4.17 H new ATOM 0 HA LEU A 67 2.853 -1.565 5.725 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.455 -3.149 3.186 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.541 -1.668 3.393 1.00 7.18 H new ATOM 0 HG LEU A 67 3.761 -0.580 3.983 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.782 -1.547 2.986 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.142 -2.513 4.337 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.886 -3.050 2.660 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.296 -0.198 1.598 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.237 -1.561 1.162 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.550 -0.110 1.931 1.00 11.66 H new ATOM 1079 N HIS A 68 0.509 -1.394 6.489 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.815 -1.200 6.979 1.00 4.17 C ATOM 1081 C HIS A 68 -1.768 -0.649 5.831 1.00 5.32 C ATOM 1082 O HIS A 68 -1.359 0.207 5.051 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.887 -0.372 8.315 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.117 -1.016 9.438 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.112 -0.549 9.761 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.337 -2.088 10.257 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.584 -1.349 10.781 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.723 -2.217 11.158 1.00 16.30 N ATOM 0 H HIS A 68 1.113 -0.588 6.650 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.193 -2.181 7.267 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.495 0.630 8.139 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.930 -0.259 8.612 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.199 -2.737 10.214 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.569 -1.253 11.213 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.795 -2.862 11.945 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.969 -1.202 5.645 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.981 -0.813 4.688 1.00 3.97 C ATOM 1098 C LEU A 69 -5.267 -0.571 5.426 1.00 5.07 C ATOM 1099 O LEU A 69 -5.893 -1.453 6.055 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.214 -1.941 3.691 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.338 -1.879 2.691 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.338 -0.644 1.845 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.270 -3.098 1.788 1.00 9.96 C ATOM 0 H LEU A 69 -3.273 -1.995 6.210 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.654 0.084 4.161 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.290 -2.061 3.125 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.353 -2.854 4.270 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.262 -1.857 3.270 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.179 -0.678 1.152 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.429 0.235 2.484 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.406 -0.588 1.282 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.082 -3.058 1.062 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.314 -3.110 1.264 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.365 -4.002 2.389 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.654 0.714 5.506 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.926 1.161 5.976 1.00 6.26 C ATOM 1117 C VAL A 70 -7.840 1.273 4.763 1.00 9.22 C ATOM 1118 O VAL A 70 -7.664 2.182 3.951 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.992 2.470 6.795 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.279 2.660 7.611 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.768 2.559 7.716 1.00 8.54 C ATOM 0 H VAL A 70 -5.044 1.483 5.227 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.231 0.414 6.709 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.995 3.278 6.064 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.231 3.606 8.151 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.138 2.668 6.940 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.383 1.841 8.323 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.814 3.482 8.294 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.760 1.706 8.395 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.859 2.552 7.115 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.891 0.441 4.743 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.947 0.383 3.750 1.00 16.06 C ATOM 1133 C LEU A 71 -11.052 1.296 4.249 1.00 18.09 C ATOM 1134 O LEU A 71 -11.836 1.010 5.155 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.436 -1.058 3.369 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.479 -2.078 2.720 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.169 -3.396 2.421 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.833 -1.538 1.369 1.00 19.57 C ATOM 0 H LEU A 71 -9.025 -0.254 5.477 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.559 0.728 2.792 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.819 -1.516 4.281 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.282 -0.939 2.692 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.690 -2.234 3.456 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.457 -4.084 1.965 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.547 -3.827 3.348 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.999 -3.225 1.735 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.168 -2.296 0.955 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.623 -1.317 0.651 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.265 -0.631 1.575 1.00 19.57 H new