USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 22 THR OG1 : rot -170:sc= -0.25 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.546 K(o=0.3,f=-4.1!) USER MOD Single : A 1 MET CE :methyl -134:sc= -0.164 (180deg=-0.383) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.06 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= -0.576 K(o=-0.58,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 68:sc= 0.211 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -142:sc= 0.317 (180deg=0.00215) 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 -14:sc= 0.202 USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= 1.27 (180deg=-0.369) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.275) USER MOD Single : A 31 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.459 K(o=-0.46,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0217) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 1.08 USER MOD Single : A 60 ASN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -124:sc= 0.244 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 11.397 -8.012 -5.011 1.00 9.67 N ATOM 2 CA MET A 1 11.279 -7.955 -3.547 1.00 10.38 C ATOM 3 C MET A 1 9.817 -8.116 -3.091 1.00 9.62 C ATOM 4 O MET A 1 8.933 -7.488 -3.627 1.00 9.62 O ATOM 5 CB MET A 1 11.721 -6.521 -3.111 1.00 13.77 C ATOM 6 CG MET A 1 12.056 -6.386 -1.640 1.00 16.29 C ATOM 7 SD MET A 1 12.689 -4.650 -1.354 1.00 17.17 S ATOM 8 CE MET A 1 10.953 -4.090 -1.078 1.00 16.11 C ATOM 0 H1 MET A 1 12.399 -7.951 -5.281 1.00 9.67 H new ATOM 0 H2 MET A 1 10.999 -8.908 -5.357 1.00 9.67 H new ATOM 0 H3 MET A 1 10.876 -7.217 -5.432 1.00 9.67 H new ATOM 0 HA MET A 1 11.883 -8.752 -3.114 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.592 -6.229 -3.697 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.924 -5.819 -3.355 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.174 -6.576 -1.028 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.809 -7.119 -1.351 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.775 -3.170 -1.635 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.263 -4.861 -1.421 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.794 -3.907 -0.015 1.00 16.11 H new ATOM 20 N GLN A 2 9.558 -8.973 -2.122 1.00 9.27 N ATOM 21 CA GLN A 2 8.172 -9.204 -1.649 1.00 9.07 C ATOM 22 C GLN A 2 7.758 -8.545 -0.398 1.00 8.72 C ATOM 23 O GLN A 2 8.197 -8.912 0.690 1.00 8.22 O ATOM 24 CB GLN A 2 7.943 -10.697 -1.499 1.00 14.46 C ATOM 25 CG GLN A 2 6.583 -11.217 -1.867 1.00 17.01 C ATOM 26 CD GLN A 2 6.553 -12.711 -1.873 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.074 -13.306 -2.821 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.231 -13.299 -0.884 1.00 19.49 N ATOM 0 H GLN A 2 10.268 -9.524 -1.640 1.00 9.27 H new ATOM 0 HA GLN A 2 7.556 -8.738 -2.419 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.681 -11.216 -2.110 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.140 -10.968 -0.462 1.00 14.46 H new ATOM 0 HG2 GLN A 2 5.844 -10.840 -1.160 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.303 -10.842 -2.851 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.606 -12.738 -0.119 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.374 -14.309 -0.894 1.00 19.49 H new ATOM 37 N ILE A 3 6.742 -7.646 -0.451 1.00 5.87 N ATOM 38 CA ILE A 3 6.125 -6.923 0.667 1.00 5.07 C ATOM 39 C ILE A 3 4.847 -7.573 1.129 1.00 4.01 C ATOM 40 O ILE A 3 4.418 -8.578 0.592 1.00 4.61 O ATOM 41 CB ILE A 3 5.933 -5.497 0.273 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.984 -5.362 -0.980 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.275 -4.727 0.159 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.401 -3.982 -1.230 1.00 10.83 C ATOM 0 H ILE A 3 6.310 -7.397 -1.341 1.00 5.87 H new ATOM 0 HA ILE A 3 6.792 -6.961 1.529 1.00 5.07 H new ATOM 0 HB ILE A 3 5.406 -4.994 1.084 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.541 -5.665 -1.867 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.161 -6.067 -0.864 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.079 -3.695 -0.130 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.787 -4.743 1.121 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.904 -5.201 -0.594 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.766 -4.010 -2.116 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.808 -3.676 -0.368 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.210 -3.268 -1.386 1.00 10.83 H new ATOM 56 N PHE A 4 4.294 -7.064 2.222 1.00 4.55 N ATOM 57 CA PHE A 4 2.964 -7.574 2.774 1.00 4.68 C ATOM 58 C PHE A 4 2.129 -6.364 2.925 1.00 5.30 C ATOM 59 O PHE A 4 2.638 -5.343 3.401 1.00 5.58 O ATOM 60 CB PHE A 4 3.158 -8.108 4.218 1.00 4.83 C ATOM 61 CG PHE A 4 3.926 -9.432 4.277 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.384 -10.648 3.864 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.249 -9.501 4.821 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.041 -11.905 3.937 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.913 -10.728 4.916 1.00 10.61 C ATOM 66 CZ PHE A 4 5.331 -11.913 4.506 1.00 8.90 C ATOM 0 H PHE A 4 4.709 -6.307 2.766 1.00 4.55 H new ATOM 0 HA PHE A 4 2.551 -8.350 2.130 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.691 -7.361 4.806 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.181 -8.242 4.683 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.384 -10.633 3.456 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.737 -8.599 5.160 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.576 -12.810 3.575 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.913 -10.751 5.323 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.864 -12.845 4.622 1.00 8.90 H new ATOM 76 N VAL A 5 0.865 -6.505 2.461 1.00 4.44 N ATOM 77 CA VAL A 5 -0.158 -5.529 2.702 1.00 3.87 C ATOM 78 C VAL A 5 -1.195 -6.188 3.595 1.00 4.93 C ATOM 79 O VAL A 5 -1.669 -7.313 3.425 1.00 6.84 O ATOM 80 CB VAL A 5 -0.674 -4.922 1.483 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.959 -4.125 1.690 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.443 -4.015 0.900 1.00 9.13 C ATOM 0 H VAL A 5 0.553 -7.306 1.913 1.00 4.44 H new ATOM 0 HA VAL A 5 0.245 -4.660 3.222 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.943 -5.721 0.791 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.283 -3.703 0.739 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.737 -4.783 2.079 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.777 -3.319 2.401 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.088 -3.544 -0.016 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.703 -3.245 1.627 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.324 -4.618 0.680 1.00 9.13 H new ATOM 92 N LYS A 6 -1.475 -5.595 4.766 1.00 6.04 N ATOM 93 CA LYS A 6 -2.250 -6.130 5.862 1.00 6.12 C ATOM 94 C LYS A 6 -3.393 -5.281 6.310 1.00 6.57 C ATOM 95 O LYS A 6 -3.231 -4.128 6.750 1.00 5.76 O ATOM 96 CB LYS A 6 -1.307 -6.262 7.080 1.00 7.45 C ATOM 97 CG LYS A 6 -1.901 -6.903 8.338 1.00 11.12 C ATOM 98 CD LYS A 6 -0.790 -7.292 9.370 1.00 14.54 C ATOM 99 CE LYS A 6 -1.274 -7.400 10.849 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.298 -7.949 11.708 1.00 20.55 N ATOM 0 H LYS A 6 -1.132 -4.657 4.972 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.669 -7.069 5.500 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.438 -6.846 6.777 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.946 -5.267 7.342 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.603 -6.210 8.803 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.467 -7.792 8.061 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.359 -8.248 9.074 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.009 -6.552 9.318 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.551 -6.409 11.209 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.173 -8.016 10.888 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.675 -7.996 12.676 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.051 -8.906 11.385 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.552 -7.349 11.696 1.00 20.55 H new ATOM 114 N THR A 7 -4.589 -5.899 6.292 1.00 7.41 N ATOM 115 CA THR A 7 -5.915 -5.315 6.684 1.00 7.48 C ATOM 116 C THR A 7 -6.117 -5.068 8.179 1.00 8.75 C ATOM 117 O THR A 7 -5.336 -5.567 9.030 1.00 8.58 O ATOM 118 CB THR A 7 -7.178 -5.956 6.136 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.363 -7.298 6.545 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.109 -6.003 4.631 1.00 9.17 C ATOM 0 H THR A 7 -4.677 -6.869 5.990 1.00 7.41 H new ATOM 0 HA THR A 7 -5.797 -4.365 6.163 1.00 7.48 H new ATOM 0 HB THR A 7 -7.996 -5.345 6.518 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.544 -7.325 7.508 1.00 11.78 H new ATOM 0 HG21 THR A 7 -8.016 -6.463 4.239 1.00 9.17 H new ATOM 0 HG22 THR A 7 -7.018 -4.990 4.239 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.243 -6.590 4.325 1.00 9.17 H new ATOM 128 N LEU A 8 -7.185 -4.281 8.563 1.00 9.84 N ATOM 129 CA LEU A 8 -7.460 -4.053 9.989 1.00 14.15 C ATOM 130 C LEU A 8 -7.763 -5.295 10.774 1.00 17.37 C ATOM 131 O LEU A 8 -7.284 -5.437 11.922 1.00 17.01 O ATOM 132 CB LEU A 8 -8.619 -2.993 10.057 1.00 16.63 C ATOM 133 CG LEU A 8 -8.938 -2.527 11.428 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.801 -1.649 12.010 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.284 -1.748 11.549 1.00 18.59 C ATOM 0 H LEU A 8 -7.830 -3.823 7.919 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.557 -3.682 10.474 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.345 -2.132 9.448 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.517 -3.424 9.614 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.043 -3.446 12.005 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.070 -1.326 13.016 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.878 -2.228 12.049 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.655 -0.775 11.375 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.437 -1.445 12.585 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.251 -0.863 10.913 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.106 -2.391 11.234 1.00 18.59 H new ATOM 147 N THR A 9 -8.369 -6.295 10.162 1.00 18.33 N ATOM 148 CA THR A 9 -8.678 -7.565 10.805 1.00 19.24 C ATOM 149 C THR A 9 -7.705 -8.649 10.563 1.00 19.48 C ATOM 150 O THR A 9 -7.871 -9.786 10.957 1.00 23.14 O ATOM 151 CB THR A 9 -10.080 -8.078 10.450 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.157 -8.269 9.091 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.118 -7.026 10.814 1.00 19.70 C ATOM 0 H THR A 9 -8.667 -6.250 9.187 1.00 18.33 H new ATOM 0 HA THR A 9 -8.624 -7.316 11.865 1.00 19.24 H new ATOM 0 HB THR A 9 -10.264 -9.006 10.992 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.050 -8.598 8.857 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.113 -7.393 10.561 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.068 -6.821 11.883 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.917 -6.110 10.259 1.00 19.70 H new ATOM 161 N GLY A 10 -6.500 -8.356 9.986 1.00 19.43 N ATOM 162 CA GLY A 10 -5.400 -9.282 9.914 1.00 18.74 C ATOM 163 C GLY A 10 -5.204 -10.110 8.680 1.00 17.62 C ATOM 164 O GLY A 10 -4.478 -11.073 8.775 1.00 19.74 O ATOM 0 H GLY A 10 -6.295 -7.451 9.562 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.484 -8.712 10.072 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.497 -9.969 10.755 1.00 18.74 H new ATOM 168 N LYS A 11 -5.915 -9.802 7.588 1.00 13.56 N ATOM 169 CA LYS A 11 -5.768 -10.566 6.386 1.00 11.91 C ATOM 170 C LYS A 11 -4.698 -10.046 5.485 1.00 10.18 C ATOM 171 O LYS A 11 -4.860 -9.178 4.608 1.00 9.10 O ATOM 172 CB LYS A 11 -7.149 -10.556 5.529 1.00 13.43 C ATOM 173 CG LYS A 11 -7.139 -11.479 4.309 1.00 16.69 C ATOM 174 CD LYS A 11 -8.423 -11.612 3.556 1.00 17.92 C ATOM 175 CE LYS A 11 -8.950 -10.426 2.768 1.00 20.81 C ATOM 176 NZ LYS A 11 -10.193 -10.752 2.125 1.00 21.93 N ATOM 0 H LYS A 11 -6.585 -9.035 7.531 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.502 -11.570 6.716 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.971 -10.847 6.183 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.350 -9.537 5.198 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.375 -11.121 3.618 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.833 -12.472 4.637 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.310 -12.443 2.860 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.194 -11.898 4.271 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.092 -9.575 3.434 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.216 -10.126 2.020 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.224 -10.308 1.185 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.271 -11.784 2.023 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.984 -10.400 2.701 1.00 21.93 H new ATOM 190 N THR A 12 -3.510 -10.586 5.743 1.00 9.63 N ATOM 191 CA THR A 12 -2.246 -10.294 5.038 1.00 9.85 C ATOM 192 C THR A 12 -2.209 -10.766 3.673 1.00 11.66 C ATOM 193 O THR A 12 -2.362 -11.956 3.460 1.00 12.33 O ATOM 194 CB THR A 12 -1.011 -10.783 5.784 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.127 -10.452 7.177 1.00 10.91 O ATOM 196 CG2 THR A 12 0.179 -9.988 5.275 1.00 9.63 C ATOM 0 H THR A 12 -3.387 -11.275 6.485 1.00 9.63 H new ATOM 0 HA THR A 12 -2.220 -9.205 5.009 1.00 9.85 H new ATOM 0 HB THR A 12 -0.903 -11.858 5.639 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.333 -10.769 7.656 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.082 -10.315 5.791 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.294 -10.151 4.203 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.016 -8.927 5.465 1.00 9.63 H new ATOM 204 N ILE A 13 -1.840 -9.902 2.716 1.00 10.42 N ATOM 205 CA ILE A 13 -1.526 -10.230 1.320 1.00 11.84 C ATOM 206 C ILE A 13 -0.106 -9.954 0.967 1.00 10.55 C ATOM 207 O ILE A 13 0.459 -9.031 1.464 1.00 11.92 O ATOM 208 CB ILE A 13 -2.487 -9.626 0.361 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.764 -8.137 0.522 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.726 -10.496 0.460 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.796 -7.580 -0.441 1.00 16.46 C ATOM 0 H ILE A 13 -1.748 -8.904 2.906 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.649 -11.309 1.229 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.056 -9.623 -0.640 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.100 -7.951 1.542 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.830 -7.590 0.390 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.491 -10.119 -0.219 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.473 -11.521 0.189 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.105 -10.474 1.482 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.930 -6.514 -0.255 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.455 -7.729 -1.466 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.745 -8.096 -0.295 1.00 16.46 H new ATOM 223 N THR A 14 0.557 -10.885 0.257 1.00 9.39 N ATOM 224 CA THR A 14 1.858 -10.639 -0.311 1.00 9.63 C ATOM 225 C THR A 14 1.694 -9.870 -1.644 1.00 11.20 C ATOM 226 O THR A 14 0.764 -10.059 -2.439 1.00 11.63 O ATOM 227 CB THR A 14 2.630 -11.962 -0.569 1.00 10.38 C ATOM 228 OG1 THR A 14 1.907 -12.810 -1.449 1.00 16.30 O ATOM 229 CG2 THR A 14 2.950 -12.719 0.747 1.00 11.66 C ATOM 0 H THR A 14 0.192 -11.819 0.072 1.00 9.39 H new ATOM 0 HA THR A 14 2.434 -10.048 0.401 1.00 9.63 H new ATOM 0 HB THR A 14 3.576 -11.686 -1.035 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.414 -13.636 -1.598 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.490 -13.637 0.516 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.564 -12.088 1.389 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.021 -12.964 1.261 1.00 11.66 H new ATOM 237 N LEU A 15 2.690 -9.001 -1.977 1.00 8.29 N ATOM 238 CA LEU A 15 2.819 -8.273 -3.211 1.00 9.03 C ATOM 239 C LEU A 15 4.246 -8.278 -3.564 1.00 8.59 C ATOM 240 O LEU A 15 5.146 -8.444 -2.793 1.00 7.79 O ATOM 241 CB LEU A 15 2.274 -6.825 -3.293 1.00 11.08 C ATOM 242 CG LEU A 15 0.876 -6.657 -2.718 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.637 -5.192 -2.582 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.209 -7.322 -3.596 1.00 15.27 C ATOM 0 H LEU A 15 3.455 -8.799 -1.333 1.00 8.29 H new ATOM 0 HA LEU A 15 2.166 -8.798 -3.908 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.956 -6.160 -2.763 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.267 -6.509 -4.336 1.00 11.08 H new ATOM 0 HG LEU A 15 0.811 -7.157 -1.752 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.358 -5.022 -2.171 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.383 -4.762 -1.914 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.711 -4.719 -3.561 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.188 -7.173 -3.140 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.199 -6.873 -4.589 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.006 -8.390 -3.678 1.00 15.27 H new ATOM 256 N GLU A 16 4.523 -8.083 -4.861 1.00 11.04 N ATOM 257 CA GLU A 16 5.798 -8.210 -5.549 1.00 11.50 C ATOM 258 C GLU A 16 6.105 -6.856 -6.173 1.00 10.13 C ATOM 259 O GLU A 16 5.275 -6.388 -6.948 1.00 9.83 O ATOM 260 CB GLU A 16 5.798 -9.265 -6.656 1.00 17.22 C ATOM 261 CG GLU A 16 5.707 -10.650 -6.035 1.00 23.33 C ATOM 262 CD GLU A 16 5.395 -11.737 -7.034 1.00 26.99 C ATOM 263 OE1 GLU A 16 4.423 -11.545 -7.855 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.009 -12.809 -6.989 1.00 28.90 O ATOM 0 H GLU A 16 3.785 -7.807 -5.508 1.00 11.04 H new ATOM 0 HA GLU A 16 6.543 -8.527 -4.819 1.00 11.50 H new ATOM 0 HB2 GLU A 16 4.957 -9.101 -7.330 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.706 -9.181 -7.253 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.651 -10.881 -5.541 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.937 -10.644 -5.264 1.00 23.33 H new ATOM 271 N VAL A 17 7.229 -6.298 -5.756 1.00 8.99 N ATOM 272 CA VAL A 17 7.555 -4.972 -6.043 1.00 8.85 C ATOM 273 C VAL A 17 9.053 -4.885 -6.098 1.00 8.04 C ATOM 274 O VAL A 17 9.808 -5.742 -5.642 1.00 8.99 O ATOM 275 CB VAL A 17 7.098 -3.921 -4.991 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.618 -3.740 -5.087 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.571 -4.289 -3.562 1.00 10.54 C ATOM 0 H VAL A 17 7.931 -6.789 -5.202 1.00 8.99 H new ATOM 0 HA VAL A 17 7.038 -4.734 -6.972 1.00 8.85 H new ATOM 0 HB VAL A 17 7.571 -2.964 -5.211 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.293 -3.004 -4.351 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.358 -3.393 -6.087 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.122 -4.691 -4.893 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.230 -3.529 -2.859 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.156 -5.257 -3.279 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.660 -4.341 -3.541 1.00 10.54 H new ATOM 287 N GLU A 18 9.618 -3.778 -6.689 1.00 7.29 N ATOM 288 CA GLU A 18 10.983 -3.465 -6.567 1.00 7.08 C ATOM 289 C GLU A 18 11.070 -2.105 -5.793 1.00 6.45 C ATOM 290 O GLU A 18 10.042 -1.415 -5.786 1.00 5.28 O ATOM 291 CB GLU A 18 11.633 -3.362 -7.975 1.00 10.28 C ATOM 292 CG GLU A 18 11.444 -4.715 -8.800 1.00 12.65 C ATOM 293 CD GLU A 18 12.140 -5.865 -8.256 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.399 -5.795 -7.940 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.488 -6.950 -8.133 1.00 18.17 O ATOM 0 H GLU A 18 9.090 -3.112 -7.253 1.00 7.29 H new ATOM 0 HA GLU A 18 11.524 -4.240 -6.024 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.187 -2.533 -8.524 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.695 -3.141 -7.872 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.380 -4.945 -8.854 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.787 -4.551 -9.822 1.00 12.65 H new ATOM 302 N PRO A 19 12.172 -1.745 -5.097 1.00 7.24 N ATOM 303 CA PRO A 19 12.319 -0.468 -4.479 1.00 7.07 C ATOM 304 C PRO A 19 11.931 0.838 -5.200 1.00 6.65 C ATOM 305 O PRO A 19 11.430 1.777 -4.512 1.00 6.37 O ATOM 306 CB PRO A 19 13.888 -0.487 -4.075 1.00 7.61 C ATOM 307 CG PRO A 19 14.219 -1.933 -3.801 1.00 8.16 C ATOM 308 CD PRO A 19 13.277 -2.637 -4.785 1.00 7.49 C ATOM 0 HA PRO A 19 11.573 -0.395 -3.687 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.505 -0.090 -4.881 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.074 0.131 -3.197 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.267 -2.161 -3.997 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.020 -2.213 -2.767 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.814 -2.905 -5.695 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.902 -3.564 -4.351 1.00 7.49 H new ATOM 316 N SER A 20 12.142 0.968 -6.510 1.00 6.80 N ATOM 317 CA SER A 20 11.636 2.099 -7.333 1.00 6.28 C ATOM 318 C SER A 20 10.172 2.240 -7.547 1.00 8.45 C ATOM 319 O SER A 20 9.675 3.239 -8.079 1.00 7.26 O ATOM 320 CB SER A 20 12.394 1.961 -8.653 1.00 8.57 C ATOM 321 OG SER A 20 12.085 3.032 -9.589 1.00 11.13 O ATOM 0 H SER A 20 12.676 0.287 -7.050 1.00 6.80 H new ATOM 0 HA SER A 20 11.817 3.020 -6.779 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.466 1.955 -8.454 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.150 1.002 -9.110 1.00 8.57 H new ATOM 0 HG SER A 20 11.291 3.517 -9.281 1.00 11.13 H new ATOM 327 N ASP A 21 9.324 1.201 -7.244 1.00 7.50 N ATOM 328 CA ASP A 21 7.928 1.301 -7.457 1.00 7.70 C ATOM 329 C ASP A 21 7.247 2.317 -6.526 1.00 7.08 C ATOM 330 O ASP A 21 7.536 2.418 -5.347 1.00 8.11 O ATOM 331 CB ASP A 21 7.303 -0.142 -7.301 1.00 11.00 C ATOM 332 CG ASP A 21 7.747 -0.938 -8.507 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.183 -0.642 -9.592 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.738 -1.702 -8.454 1.00 18.03 O ATOM 0 H ASP A 21 9.630 0.309 -6.855 1.00 7.50 H new ATOM 0 HA ASP A 21 7.754 1.681 -8.464 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.643 -0.614 -6.379 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.215 -0.090 -7.250 1.00 11.00 H new ATOM 339 N THR A 22 6.226 3.096 -7.066 1.00 5.37 N ATOM 340 CA THR A 22 5.532 4.086 -6.201 1.00 6.01 C ATOM 341 C THR A 22 4.363 3.512 -5.385 1.00 8.01 C ATOM 342 O THR A 22 3.893 2.401 -5.570 1.00 8.11 O ATOM 343 CB THR A 22 5.034 5.324 -6.916 1.00 8.92 C ATOM 344 OG1 THR A 22 4.002 5.071 -7.873 1.00 10.22 O ATOM 345 CG2 THR A 22 6.268 5.911 -7.633 1.00 9.65 C ATOM 0 H THR A 22 5.899 3.049 -8.031 1.00 5.37 H new ATOM 0 HA THR A 22 6.337 4.373 -5.525 1.00 6.01 H new ATOM 0 HB THR A 22 4.586 6.000 -6.188 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.842 5.880 -8.403 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.980 6.813 -8.173 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.033 6.158 -6.897 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.663 5.178 -8.336 1.00 9.65 H new ATOM 353 N ILE A 23 3.780 4.238 -4.409 1.00 8.32 N ATOM 354 CA ILE A 23 2.645 3.818 -3.678 1.00 9.92 C ATOM 355 C ILE A 23 1.454 3.780 -4.570 1.00 10.01 C ATOM 356 O ILE A 23 0.515 2.999 -4.318 1.00 8.71 O ATOM 357 CB ILE A 23 2.490 4.670 -2.508 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.745 4.490 -1.585 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.235 4.343 -1.693 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.166 3.094 -1.195 1.00 12.30 C ATOM 0 H ILE A 23 4.123 5.156 -4.126 1.00 8.32 H new ATOM 0 HA ILE A 23 2.768 2.801 -3.307 1.00 9.92 H new ATOM 0 HB ILE A 23 2.392 5.696 -2.864 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.591 4.963 -2.083 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.562 5.048 -0.667 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.175 5.011 -0.834 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.351 4.474 -2.317 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.285 3.311 -1.347 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.048 3.145 -0.557 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.355 2.607 -0.654 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.400 2.520 -2.092 1.00 12.30 H new ATOM 372 N GLU A 24 1.452 4.592 -5.636 1.00 9.54 N ATOM 373 CA GLU A 24 0.462 4.539 -6.702 1.00 11.81 C ATOM 374 C GLU A 24 0.502 3.146 -7.374 1.00 11.14 C ATOM 375 O GLU A 24 -0.540 2.521 -7.658 1.00 10.62 O ATOM 376 CB GLU A 24 0.674 5.699 -7.667 1.00 19.24 C ATOM 377 CG GLU A 24 -0.363 5.748 -8.806 1.00 27.76 C ATOM 378 CD GLU A 24 -0.106 6.929 -9.741 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.989 7.037 -10.395 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.997 7.823 -9.780 1.00 36.51 O ATOM 0 H GLU A 24 2.156 5.316 -5.777 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.545 4.661 -6.302 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.636 6.636 -7.111 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.672 5.625 -8.098 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.327 4.818 -9.373 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.365 5.826 -8.385 1.00 27.76 H new ATOM 387 N ASN A 25 1.701 2.635 -7.682 1.00 9.43 N ATOM 388 CA ASN A 25 2.002 1.367 -8.301 1.00 10.96 C ATOM 389 C ASN A 25 1.578 0.169 -7.320 1.00 9.68 C ATOM 390 O ASN A 25 1.119 -0.901 -7.759 1.00 9.33 O ATOM 391 CB ASN A 25 3.387 1.073 -8.763 1.00 16.78 C ATOM 392 CG ASN A 25 3.923 2.023 -9.805 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.074 2.466 -9.715 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.249 2.372 -10.924 1.00 24.70 N ATOM 0 H ASN A 25 2.553 3.158 -7.480 1.00 9.43 H new ATOM 0 HA ASN A 25 1.425 1.449 -9.222 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.053 1.089 -7.901 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.413 0.061 -9.167 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.696 2.964 -11.625 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.294 2.044 -11.067 1.00 24.70 H new ATOM 401 N VAL A 26 1.757 0.381 -6.005 1.00 6.52 N ATOM 402 CA VAL A 26 1.293 -0.577 -5.040 1.00 5.53 C ATOM 403 C VAL A 26 -0.208 -0.710 -5.068 1.00 4.42 C ATOM 404 O VAL A 26 -0.584 -1.841 -5.284 1.00 3.40 O ATOM 405 CB VAL A 26 1.780 -0.211 -3.678 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.157 -1.172 -2.621 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.327 -0.372 -3.488 1.00 8.12 C ATOM 0 H VAL A 26 2.216 1.202 -5.609 1.00 6.52 H new ATOM 0 HA VAL A 26 1.703 -1.552 -5.303 1.00 5.53 H new ATOM 0 HB VAL A 26 1.497 0.834 -3.555 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.515 -0.902 -1.628 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.071 -1.090 -2.650 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.449 -2.198 -2.845 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.601 -0.086 -2.472 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.609 -1.411 -3.661 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.849 0.269 -4.198 1.00 8.12 H new ATOM 417 N LYS A 27 -1.002 0.423 -4.979 1.00 2.64 N ATOM 418 CA LYS A 27 -2.462 0.354 -5.019 1.00 4.14 C ATOM 419 C LYS A 27 -3.003 -0.257 -6.321 1.00 5.58 C ATOM 420 O LYS A 27 -3.950 -1.005 -6.325 1.00 4.11 O ATOM 421 CB LYS A 27 -3.137 1.749 -4.758 1.00 3.97 C ATOM 422 CG LYS A 27 -2.757 2.271 -3.384 1.00 7.45 C ATOM 423 CD LYS A 27 -3.485 3.536 -3.009 1.00 9.02 C ATOM 424 CE LYS A 27 -3.273 4.715 -3.890 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.733 6.009 -3.383 1.00 15.47 N ATOM 0 H LYS A 27 -0.631 1.368 -4.881 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.733 -0.316 -4.203 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.825 2.460 -5.523 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.220 1.656 -4.832 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.968 1.503 -2.639 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.683 2.455 -3.356 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.553 3.319 -2.982 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.190 3.811 -1.996 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.207 4.793 -4.102 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.774 4.524 -4.839 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.538 6.339 -3.953 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.029 5.908 -2.391 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.959 6.701 -3.444 1.00 15.47 H new ATOM 439 N ALA A 28 -2.305 -0.060 -7.436 1.00 6.61 N ATOM 440 CA ALA A 28 -2.529 -0.792 -8.701 1.00 7.74 C ATOM 441 C ALA A 28 -2.355 -2.297 -8.507 1.00 9.17 C ATOM 442 O ALA A 28 -3.206 -3.087 -8.975 1.00 11.45 O ATOM 443 CB ALA A 28 -1.572 -0.209 -9.807 1.00 7.68 C ATOM 0 H ALA A 28 -1.551 0.624 -7.497 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.558 -0.651 -9.031 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.731 -0.743 -10.744 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.786 0.850 -9.952 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.536 -0.329 -9.492 1.00 7.68 H new ATOM 449 N LYS A 29 -1.311 -2.782 -7.782 1.00 8.96 N ATOM 450 CA LYS A 29 -1.102 -4.205 -7.569 1.00 7.90 C ATOM 451 C LYS A 29 -2.009 -4.726 -6.465 1.00 6.92 C ATOM 452 O LYS A 29 -2.271 -5.918 -6.396 1.00 6.87 O ATOM 453 CB LYS A 29 0.300 -4.498 -7.053 1.00 10.28 C ATOM 454 CG LYS A 29 1.288 -4.393 -8.163 1.00 14.94 C ATOM 455 CD LYS A 29 2.721 -4.460 -7.572 1.00 19.69 C ATOM 456 CE LYS A 29 3.809 -4.042 -8.518 1.00 22.63 C ATOM 457 NZ LYS A 29 3.702 -4.905 -9.677 1.00 24.98 N ATOM 0 H LYS A 29 -0.608 -2.189 -7.341 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.292 -4.672 -8.535 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.557 -3.797 -6.259 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.334 -5.497 -6.619 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.138 -5.201 -8.878 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.148 -3.458 -8.705 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.764 -3.826 -6.687 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.916 -5.481 -7.243 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.695 -2.996 -8.802 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.789 -4.141 -8.050 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.585 -4.861 -10.225 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.536 -5.884 -9.367 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.909 -4.591 -10.272 1.00 24.98 H new ATOM 471 N ILE A 30 -2.590 -3.885 -5.563 1.00 4.57 N ATOM 472 CA ILE A 30 -3.617 -4.340 -4.606 1.00 5.58 C ATOM 473 C ILE A 30 -5.003 -4.523 -5.288 1.00 7.26 C ATOM 474 O ILE A 30 -5.819 -5.436 -4.982 1.00 9.46 O ATOM 475 CB ILE A 30 -3.756 -3.351 -3.497 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.471 -3.307 -2.752 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.021 -3.540 -2.606 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.234 -2.086 -1.830 1.00 2.00 C ATOM 0 H ILE A 30 -2.360 -2.894 -5.486 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.291 -5.305 -4.217 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.947 -2.368 -3.927 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.401 -4.209 -2.144 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.658 -3.347 -3.477 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.036 -2.776 -1.828 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.916 -3.449 -3.221 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.997 -4.527 -2.144 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.261 -2.178 -1.347 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.260 -1.172 -2.423 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.014 -2.047 -1.070 1.00 2.00 H new ATOM 490 N GLN A 31 -5.310 -3.689 -6.335 1.00 7.06 N ATOM 491 CA GLN A 31 -6.394 -3.851 -7.300 1.00 8.67 C ATOM 492 C GLN A 31 -6.252 -5.106 -8.072 1.00 10.90 C ATOM 493 O GLN A 31 -7.210 -5.831 -8.363 1.00 9.63 O ATOM 494 CB GLN A 31 -6.620 -2.586 -8.157 1.00 9.12 C ATOM 495 CG GLN A 31 -7.979 -2.637 -8.950 1.00 10.76 C ATOM 496 CD GLN A 31 -8.178 -1.483 -9.880 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.222 -0.834 -9.873 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.171 -1.243 -10.710 1.00 14.76 N ATOM 0 H GLN A 31 -4.763 -2.847 -6.517 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.324 -3.961 -6.742 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.611 -1.707 -7.513 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.795 -2.474 -8.861 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.021 -3.564 -9.522 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.804 -2.664 -8.238 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.328 -1.816 -10.669 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.240 -0.485 -11.389 1.00 14.76 H new ATOM 507 N ASP A 32 -5.007 -5.456 -8.474 1.00 10.93 N ATOM 508 CA ASP A 32 -4.734 -6.752 -8.994 1.00 14.01 C ATOM 509 C ASP A 32 -5.022 -7.804 -7.946 1.00 14.04 C ATOM 510 O ASP A 32 -5.772 -8.702 -8.195 1.00 13.39 O ATOM 511 CB ASP A 32 -3.319 -6.713 -9.612 1.00 18.01 C ATOM 512 CG ASP A 32 -2.969 -8.030 -10.336 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.516 -8.976 -9.583 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.126 -8.138 -11.556 1.00 26.29 O ATOM 0 H ASP A 32 -4.198 -4.836 -8.435 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.395 -7.050 -9.808 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.253 -5.884 -10.316 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.586 -6.524 -8.828 1.00 18.01 H new ATOM 519 N LYS A 33 -4.520 -7.746 -6.689 1.00 14.22 N ATOM 520 CA LYS A 33 -4.723 -8.803 -5.706 1.00 14.00 C ATOM 521 C LYS A 33 -6.123 -9.077 -5.251 1.00 12.37 C ATOM 522 O LYS A 33 -6.555 -10.246 -5.383 1.00 12.17 O ATOM 523 CB LYS A 33 -3.819 -8.543 -4.479 1.00 18.62 C ATOM 524 CG LYS A 33 -3.643 -9.772 -3.547 1.00 24.00 C ATOM 525 CD LYS A 33 -3.309 -11.073 -4.213 1.00 27.61 C ATOM 526 CE LYS A 33 -2.684 -12.080 -3.212 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.151 -13.297 -3.994 1.00 30.06 N ATOM 0 H LYS A 33 -3.967 -6.962 -6.343 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.453 -9.710 -6.246 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.837 -8.221 -4.827 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.238 -7.720 -3.901 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.856 -9.545 -2.828 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.564 -9.905 -2.980 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -4.212 -11.503 -4.647 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.614 -10.895 -5.034 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.875 -11.606 -2.656 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.429 -12.398 -2.482 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.730 -13.978 -3.331 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.934 -13.751 -4.506 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.429 -12.984 -4.674 1.00 30.06 H new ATOM 541 N GLU A 34 -6.874 -8.071 -4.711 1.00 10.11 N ATOM 542 CA GLU A 34 -8.224 -8.213 -4.116 1.00 10.07 C ATOM 543 C GLU A 34 -9.339 -7.548 -4.893 1.00 9.32 C ATOM 544 O GLU A 34 -10.479 -7.520 -4.453 1.00 11.61 O ATOM 545 CB GLU A 34 -8.210 -7.676 -2.679 1.00 14.77 C ATOM 546 CG GLU A 34 -7.496 -8.599 -1.662 1.00 18.75 C ATOM 547 CD GLU A 34 -8.421 -9.558 -1.086 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.386 -9.163 -0.345 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.213 -10.795 -1.378 1.00 21.95 O ATOM 0 H GLU A 34 -6.537 -7.109 -4.681 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.445 -9.280 -4.142 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.722 -6.701 -2.672 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.238 -7.520 -2.352 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.681 -9.127 -2.156 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.052 -7.997 -0.870 1.00 18.75 H new ATOM 556 N GLY A 35 -9.088 -6.948 -6.109 1.00 7.22 N ATOM 557 CA GLY A 35 -10.217 -6.359 -6.882 1.00 6.29 C ATOM 558 C GLY A 35 -10.594 -4.989 -6.339 1.00 6.93 C ATOM 559 O GLY A 35 -11.628 -4.510 -6.673 1.00 7.41 O ATOM 0 H GLY A 35 -8.169 -6.867 -6.544 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.938 -6.274 -7.932 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.080 -7.023 -6.835 1.00 6.29 H new ATOM 563 N ILE A 36 -9.863 -4.421 -5.414 1.00 5.86 N ATOM 564 CA ILE A 36 -10.228 -3.206 -4.742 1.00 6.07 C ATOM 565 C ILE A 36 -9.833 -1.911 -5.528 1.00 6.36 C ATOM 566 O ILE A 36 -8.662 -1.740 -5.838 1.00 6.18 O ATOM 567 CB ILE A 36 -9.584 -3.089 -3.357 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.759 -4.350 -2.480 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.120 -1.830 -2.680 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.887 -4.408 -1.276 1.00 9.49 C ATOM 0 H ILE A 36 -8.972 -4.805 -5.100 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.313 -3.273 -4.665 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.505 -3.007 -3.487 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.799 -4.409 -2.159 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.564 -5.230 -3.093 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.672 -1.730 -1.691 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.868 -0.957 -3.283 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.203 -1.903 -2.582 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.085 -5.329 -0.728 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.841 -4.386 -1.583 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.095 -3.552 -0.634 1.00 9.49 H new ATOM 582 N PRO A 37 -10.736 -0.964 -5.813 1.00 8.65 N ATOM 583 CA PRO A 37 -10.362 0.309 -6.357 1.00 9.18 C ATOM 584 C PRO A 37 -9.335 1.190 -5.558 1.00 9.85 C ATOM 585 O PRO A 37 -9.645 1.514 -4.436 1.00 8.51 O ATOM 586 CB PRO A 37 -11.689 1.066 -6.554 1.00 11.42 C ATOM 587 CG PRO A 37 -12.775 -0.062 -6.685 1.00 9.27 C ATOM 588 CD PRO A 37 -12.183 -1.165 -5.842 1.00 8.33 C ATOM 0 HA PRO A 37 -9.799 0.112 -7.269 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.900 1.723 -5.710 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.659 1.693 -7.445 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.746 0.261 -6.311 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.919 -0.372 -7.720 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.594 -1.140 -4.833 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.427 -2.141 -6.261 1.00 8.33 H new ATOM 596 N PRO A 38 -8.233 1.767 -6.159 1.00 8.71 N ATOM 597 CA PRO A 38 -7.251 2.424 -5.354 1.00 9.08 C ATOM 598 C PRO A 38 -7.703 3.575 -4.579 1.00 9.28 C ATOM 599 O PRO A 38 -7.033 3.874 -3.604 1.00 6.50 O ATOM 600 CB PRO A 38 -6.230 2.856 -6.423 1.00 10.31 C ATOM 601 CG PRO A 38 -6.174 1.579 -7.261 1.00 10.81 C ATOM 602 CD PRO A 38 -7.659 1.289 -7.414 1.00 12.00 C ATOM 0 HA PRO A 38 -6.889 1.763 -4.567 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.567 3.718 -6.998 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.262 3.117 -5.995 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.680 1.733 -8.220 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.643 0.773 -6.755 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.083 1.810 -8.273 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.847 0.225 -7.561 1.00 12.00 H new ATOM 610 N ASP A 39 -8.750 4.271 -4.983 1.00 11.20 N ATOM 611 CA ASP A 39 -9.187 5.446 -4.162 1.00 14.96 C ATOM 612 C ASP A 39 -9.882 5.060 -2.826 1.00 13.99 C ATOM 613 O ASP A 39 -10.091 5.798 -1.884 1.00 13.75 O ATOM 614 CB ASP A 39 -9.980 6.502 -4.986 1.00 24.16 C ATOM 615 CG ASP A 39 -9.178 6.705 -6.229 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.020 7.169 -6.120 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.585 6.343 -7.350 1.00 34.22 O ATOM 0 H ASP A 39 -9.302 4.081 -5.819 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.263 5.938 -3.859 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.985 6.148 -5.218 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.090 7.434 -4.431 1.00 24.16 H new ATOM 622 N GLN A 40 -10.217 3.791 -2.707 1.00 11.60 N ATOM 623 CA GLN A 40 -10.866 3.256 -1.580 1.00 10.76 C ATOM 624 C GLN A 40 -9.839 2.563 -0.746 1.00 8.01 C ATOM 625 O GLN A 40 -10.100 2.132 0.378 1.00 8.96 O ATOM 626 CB GLN A 40 -11.878 2.190 -2.019 1.00 11.14 C ATOM 627 CG GLN A 40 -13.060 2.687 -2.852 1.00 14.85 C ATOM 628 CD GLN A 40 -14.227 1.778 -3.029 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.350 2.199 -3.298 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.003 0.427 -3.068 1.00 18.16 N ATOM 0 H GLN A 40 -10.027 3.099 -3.432 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.369 4.056 -1.036 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.348 1.430 -2.594 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.269 1.700 -1.127 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.422 3.610 -2.399 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.685 2.944 -3.843 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.078 0.057 -2.848 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.761 -0.209 -3.317 1.00 18.16 H new ATOM 639 N GLN A 41 -8.566 2.549 -1.171 1.00 6.52 N ATOM 640 CA GLN A 41 -7.452 2.083 -0.369 1.00 3.87 C ATOM 641 C GLN A 41 -6.733 3.159 0.375 1.00 4.79 C ATOM 642 O GLN A 41 -6.441 4.223 -0.120 1.00 6.34 O ATOM 643 CB GLN A 41 -6.470 1.334 -1.329 1.00 4.20 C ATOM 644 CG GLN A 41 -7.029 0.228 -2.164 1.00 3.20 C ATOM 645 CD GLN A 41 -5.917 -0.327 -3.006 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.751 -0.307 -2.669 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.337 -1.071 -4.070 1.00 7.13 N ATOM 0 H GLN A 41 -8.290 2.869 -2.099 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.848 1.429 0.408 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.028 2.071 -2.000 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.659 0.924 -0.727 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.452 -0.551 -1.530 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.836 0.598 -2.796 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.322 -1.072 -4.334 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.666 -1.626 -4.601 1.00 7.13 H new ATOM 656 N ARG A 42 -6.370 2.832 1.653 1.00 5.73 N ATOM 657 CA ARG A 42 -5.428 3.726 2.267 1.00 6.97 C ATOM 658 C ARG A 42 -4.311 2.971 2.965 1.00 7.15 C ATOM 659 O ARG A 42 -4.538 2.165 3.849 1.00 7.33 O ATOM 660 CB ARG A 42 -6.119 4.550 3.399 1.00 13.23 C ATOM 661 CG ARG A 42 -7.254 5.465 2.947 1.00 21.27 C ATOM 662 CD ARG A 42 -7.733 6.348 4.049 1.00 26.14 C ATOM 663 NE ARG A 42 -8.610 7.360 3.337 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.136 8.379 4.035 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.947 8.476 5.362 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.036 9.212 3.497 1.00 36.39 N ATOM 0 H ARG A 42 -6.692 2.036 2.203 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.043 4.354 1.463 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.510 3.856 4.143 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.362 5.157 3.896 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.914 6.079 2.113 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.083 4.860 2.581 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.293 5.788 4.797 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.903 6.830 4.567 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.798 7.267 2.339 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.398 7.770 5.852 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.353 9.256 5.879 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.339 9.081 2.532 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.418 9.978 4.052 1.00 36.39 H new ATOM 680 N LEU A 43 -3.067 3.302 2.509 1.00 4.65 N ATOM 681 CA LEU A 43 -1.968 2.582 2.952 1.00 3.51 C ATOM 682 C LEU A 43 -1.208 3.431 3.947 1.00 5.56 C ATOM 683 O LEU A 43 -1.024 4.666 3.809 1.00 4.19 O ATOM 684 CB LEU A 43 -0.954 2.257 1.856 1.00 3.74 C ATOM 685 CG LEU A 43 -1.482 1.235 0.786 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.566 1.255 -0.421 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.427 -0.205 1.350 1.00 6.41 C ATOM 0 H LEU A 43 -2.864 4.054 1.851 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.368 1.653 3.358 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.669 3.181 1.353 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.052 1.853 2.316 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.503 1.514 0.526 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.930 0.547 -1.165 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.551 2.257 -0.850 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.443 0.976 -0.117 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.795 -0.904 0.599 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.398 -0.456 1.606 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.049 -0.270 2.243 1.00 6.41 H new ATOM 699 N ILE A 44 -0.741 2.736 5.006 1.00 4.58 N ATOM 700 CA ILE A 44 -0.081 3.190 6.171 1.00 5.55 C ATOM 701 C ILE A 44 1.255 2.440 6.472 1.00 5.46 C ATOM 702 O ILE A 44 1.301 1.219 6.424 1.00 6.04 O ATOM 703 CB ILE A 44 -0.959 3.140 7.505 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.142 4.167 7.579 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.137 3.218 8.806 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.234 4.089 6.620 1.00 13.90 C ATOM 0 H ILE A 44 -0.850 1.722 5.031 1.00 4.58 H new ATOM 0 HA ILE A 44 0.120 4.231 5.916 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.402 2.147 7.429 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.579 4.088 8.575 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.711 5.165 7.499 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.809 3.178 9.664 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.557 2.379 8.849 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.423 4.153 8.827 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.957 4.878 6.827 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.841 4.212 5.611 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.723 3.118 6.703 1.00 13.90 H new ATOM 718 N PHE A 45 2.381 3.160 6.717 1.00 6.75 N ATOM 719 CA PHE A 45 3.703 2.502 7.057 1.00 4.70 C ATOM 720 C PHE A 45 4.455 3.537 7.888 1.00 6.34 C ATOM 721 O PHE A 45 4.255 4.736 7.763 1.00 5.45 O ATOM 722 CB PHE A 45 4.498 2.105 5.777 1.00 5.51 C ATOM 723 CG PHE A 45 5.849 1.438 6.065 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.824 0.244 6.869 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.057 2.078 5.805 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.015 -0.280 7.317 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.281 1.482 6.284 1.00 6.64 C ATOM 728 CZ PHE A 45 8.235 0.320 7.044 1.00 6.84 C ATOM 0 H PHE A 45 2.417 4.179 6.690 1.00 6.75 H new ATOM 0 HA PHE A 45 3.561 1.569 7.602 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.889 1.427 5.179 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.666 2.998 5.174 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.887 -0.232 7.116 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.078 3.006 5.253 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.999 -1.189 7.901 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.232 1.939 6.052 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.148 -0.116 7.422 1.00 6.84 H new ATOM 738 N ALA A 46 5.146 3.047 8.876 1.00 6.53 N ATOM 739 CA ALA A 46 5.936 3.780 9.785 1.00 7.15 C ATOM 740 C ALA A 46 5.242 4.916 10.584 1.00 9.00 C ATOM 741 O ALA A 46 5.865 5.881 10.993 1.00 11.15 O ATOM 742 CB ALA A 46 7.223 4.196 9.223 1.00 8.99 C ATOM 0 H ALA A 46 5.164 2.046 9.070 1.00 6.53 H new ATOM 0 HA ALA A 46 6.129 3.035 10.557 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.783 4.756 9.972 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.793 3.315 8.927 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.052 4.827 8.351 1.00 8.99 H new ATOM 748 N GLY A 47 3.966 4.646 10.969 1.00 9.35 N ATOM 749 CA GLY A 47 3.140 5.553 11.734 1.00 11.68 C ATOM 750 C GLY A 47 2.364 6.597 10.976 1.00 11.14 C ATOM 751 O GLY A 47 1.621 7.360 11.612 1.00 13.93 O ATOM 0 H GLY A 47 3.496 3.770 10.741 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.430 4.958 12.308 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.780 6.066 12.452 1.00 11.68 H new ATOM 755 N LYS A 48 2.431 6.586 9.642 1.00 10.47 N ATOM 756 CA LYS A 48 1.747 7.520 8.800 1.00 8.82 C ATOM 757 C LYS A 48 1.160 6.951 7.525 1.00 7.68 C ATOM 758 O LYS A 48 1.655 5.943 6.943 1.00 6.47 O ATOM 759 CB LYS A 48 2.682 8.738 8.540 1.00 9.74 C ATOM 760 CG LYS A 48 3.888 8.492 7.657 1.00 14.14 C ATOM 761 CD LYS A 48 4.665 9.800 7.526 1.00 16.32 C ATOM 762 CE LYS A 48 5.812 9.619 6.556 1.00 20.04 C ATOM 763 NZ LYS A 48 6.843 8.744 7.016 1.00 23.92 N ATOM 0 H LYS A 48 2.982 5.902 9.123 1.00 10.47 H new ATOM 0 HA LYS A 48 0.856 7.837 9.342 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.088 9.534 8.091 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.035 9.108 9.503 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.521 7.716 8.088 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.573 8.138 6.675 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.004 10.593 7.178 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.045 10.107 8.500 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.419 9.234 5.615 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.249 10.595 6.343 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.612 8.715 6.316 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.214 9.091 7.924 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.455 7.787 7.144 1.00 23.92 H new ATOM 777 N GLN A 49 0.202 7.737 6.977 1.00 8.89 N ATOM 778 CA GLN A 49 -0.316 7.460 5.631 1.00 7.18 C ATOM 779 C GLN A 49 0.685 7.798 4.605 1.00 8.23 C ATOM 780 O GLN A 49 1.508 8.690 4.764 1.00 9.70 O ATOM 781 CB GLN A 49 -1.659 8.118 5.451 1.00 11.67 C ATOM 782 CG GLN A 49 -2.426 7.497 4.275 1.00 15.82 C ATOM 783 CD GLN A 49 -3.844 7.981 4.209 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.463 8.601 5.116 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.498 7.688 3.080 1.00 20.67 N ATOM 0 H GLN A 49 -0.214 8.546 7.438 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.492 6.392 5.506 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.243 8.015 6.365 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.524 9.186 5.278 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.917 7.739 3.342 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.418 6.411 4.370 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.022 7.187 2.330 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.473 7.965 2.969 1.00 20.67 H new ATOM 794 N LEU A 50 0.751 7.078 3.463 1.00 6.51 N ATOM 795 CA LEU A 50 1.790 7.271 2.448 1.00 7.41 C ATOM 796 C LEU A 50 1.231 8.138 1.326 1.00 8.27 C ATOM 797 O LEU A 50 0.061 8.130 0.995 1.00 8.34 O ATOM 798 CB LEU A 50 2.299 5.922 1.870 1.00 7.13 C ATOM 799 CG LEU A 50 2.848 4.915 2.878 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.406 3.624 2.230 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.926 5.448 3.823 1.00 9.11 C ATOM 0 H LEU A 50 0.080 6.347 3.226 1.00 6.51 H new ATOM 0 HA LEU A 50 2.641 7.762 2.921 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.478 5.451 1.329 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.080 6.136 1.141 1.00 7.13 H new ATOM 0 HG LEU A 50 1.954 4.694 3.462 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.778 2.958 3.008 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.613 3.125 1.673 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.220 3.880 1.552 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.246 4.652 4.496 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.780 5.796 3.242 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.522 6.276 4.406 1.00 9.11 H new ATOM 813 N GLU A 51 2.159 8.885 0.767 1.00 9.43 N ATOM 814 CA GLU A 51 2.076 9.747 -0.432 1.00 11.90 C ATOM 815 C GLU A 51 2.226 8.945 -1.705 1.00 11.49 C ATOM 816 O GLU A 51 3.140 8.128 -1.886 1.00 9.88 O ATOM 817 CB GLU A 51 2.919 11.045 -0.324 1.00 16.56 C ATOM 818 CG GLU A 51 2.806 11.941 0.905 1.00 26.06 C ATOM 819 CD GLU A 51 3.683 13.157 0.703 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.910 13.029 0.416 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.151 14.301 0.873 1.00 33.44 O ATOM 0 H GLU A 51 3.095 8.919 1.171 1.00 9.43 H new ATOM 0 HA GLU A 51 1.064 10.148 -0.488 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.966 10.757 -0.417 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.678 11.658 -1.192 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.770 12.244 1.058 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.114 11.397 1.798 1.00 26.06 H new ATOM 828 N ASP A 52 1.256 9.109 -2.642 1.00 12.71 N ATOM 829 CA ASP A 52 1.105 8.272 -3.854 1.00 16.56 C ATOM 830 C ASP A 52 2.296 8.202 -4.805 1.00 15.83 C ATOM 831 O ASP A 52 2.766 7.196 -5.271 1.00 17.21 O ATOM 832 CB ASP A 52 -0.091 8.751 -4.696 1.00 21.05 C ATOM 833 CG ASP A 52 -1.338 8.906 -3.958 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.816 7.958 -3.328 1.00 25.82 O ATOM 835 OD2 ASP A 52 -1.861 10.045 -3.872 1.00 28.37 O ATOM 0 H ASP A 52 0.547 9.839 -2.572 1.00 12.71 H new ATOM 0 HA ASP A 52 0.978 7.275 -3.432 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.165 9.707 -5.153 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.252 8.042 -5.508 1.00 21.05 H new ATOM 840 N GLY A 53 2.964 9.344 -5.102 1.00 15.00 N ATOM 841 CA GLY A 53 4.121 9.414 -5.983 1.00 11.77 C ATOM 842 C GLY A 53 5.496 9.113 -5.439 1.00 11.10 C ATOM 843 O GLY A 53 6.501 9.055 -6.128 1.00 11.25 O ATOM 0 H GLY A 53 2.696 10.251 -4.721 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.941 8.728 -6.811 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.150 10.420 -6.403 1.00 11.77 H new ATOM 847 N ARG A 54 5.569 8.778 -4.154 1.00 8.53 N ATOM 848 CA ARG A 54 6.776 8.381 -3.518 1.00 9.05 C ATOM 849 C ARG A 54 7.158 6.946 -3.701 1.00 8.96 C ATOM 850 O ARG A 54 6.257 6.088 -3.912 1.00 11.60 O ATOM 851 CB ARG A 54 6.646 8.669 -2.001 1.00 7.97 C ATOM 852 CG ARG A 54 6.361 10.116 -1.632 1.00 9.62 C ATOM 853 CD ARG A 54 7.586 11.050 -1.903 1.00 12.20 C ATOM 854 NE ARG A 54 7.369 12.389 -1.312 1.00 18.23 N ATOM 855 CZ ARG A 54 8.322 13.340 -1.220 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.454 13.343 -1.927 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.061 14.391 -0.438 1.00 23.38 N ATOM 0 H ARG A 54 4.761 8.782 -3.531 1.00 8.53 H new ATOM 0 HA ARG A 54 7.568 8.958 -3.996 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.848 8.045 -1.598 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.570 8.362 -1.510 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.503 10.472 -2.202 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.090 10.173 -0.578 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.488 10.605 -1.483 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.747 11.144 -2.977 1.00 12.20 H new ATOM 0 HE ARG A 54 6.440 12.607 -0.951 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.643 12.591 -2.590 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.130 14.097 -1.804 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.172 14.449 0.058 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.751 15.135 -0.337 1.00 23.38 H new ATOM 871 N THR A 55 8.435 6.580 -3.603 1.00 9.05 N ATOM 872 CA THR A 55 8.819 5.210 -3.855 1.00 9.03 C ATOM 873 C THR A 55 8.980 4.442 -2.535 1.00 8.15 C ATOM 874 O THR A 55 9.065 5.010 -1.435 1.00 5.91 O ATOM 875 CB THR A 55 10.148 4.925 -4.601 1.00 11.15 C ATOM 876 OG1 THR A 55 11.334 5.341 -3.955 1.00 11.95 O ATOM 877 CG2 THR A 55 10.037 5.812 -5.827 1.00 11.71 C ATOM 0 H THR A 55 9.201 7.206 -3.355 1.00 9.05 H new ATOM 0 HA THR A 55 8.001 4.900 -4.505 1.00 9.03 H new ATOM 0 HB THR A 55 10.240 3.847 -4.733 1.00 11.15 H new ATOM 0 HG1 THR A 55 12.107 5.111 -4.511 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.930 5.697 -6.442 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.159 5.525 -6.405 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.943 6.852 -5.516 1.00 11.71 H new ATOM 885 N LEU A 56 9.122 3.112 -2.638 1.00 6.91 N ATOM 886 CA LEU A 56 9.494 2.344 -1.453 1.00 8.29 C ATOM 887 C LEU A 56 10.898 2.640 -0.858 1.00 8.05 C ATOM 888 O LEU A 56 10.951 2.724 0.377 1.00 10.17 O ATOM 889 CB LEU A 56 9.325 0.878 -1.884 1.00 6.60 C ATOM 890 CG LEU A 56 7.917 0.521 -2.433 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.969 -0.946 -2.771 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.723 0.849 -1.497 1.00 8.64 C ATOM 0 H LEU A 56 8.991 2.570 -3.492 1.00 6.91 H new ATOM 0 HA LEU A 56 8.856 2.624 -0.615 1.00 8.29 H new ATOM 0 HB2 LEU A 56 10.067 0.651 -2.650 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.541 0.235 -1.030 1.00 6.60 H new ATOM 0 HG LEU A 56 7.714 1.151 -3.299 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.003 -1.263 -3.165 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.741 -1.120 -3.520 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.200 -1.518 -1.873 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.791 0.558 -1.981 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.833 0.300 -0.562 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.706 1.919 -1.290 1.00 8.64 H new ATOM 904 N SER A 57 11.928 2.812 -1.735 1.00 8.92 N ATOM 905 CA SER A 57 13.236 3.386 -1.349 1.00 9.00 C ATOM 906 C SER A 57 13.215 4.697 -0.656 1.00 9.44 C ATOM 907 O SER A 57 13.850 4.928 0.357 1.00 10.91 O ATOM 908 CB SER A 57 14.137 3.562 -2.590 1.00 10.32 C ATOM 909 OG SER A 57 15.499 3.876 -2.344 1.00 13.59 O ATOM 0 H SER A 57 11.869 2.556 -2.721 1.00 8.92 H new ATOM 0 HA SER A 57 13.613 2.655 -0.633 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.099 2.642 -3.173 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.712 4.350 -3.211 1.00 10.32 H new ATOM 0 HG SER A 57 15.974 3.963 -3.197 1.00 13.59 H new ATOM 915 N ASP A 58 12.353 5.637 -1.007 1.00 9.11 N ATOM 916 CA ASP A 58 12.173 6.942 -0.330 1.00 7.91 C ATOM 917 C ASP A 58 11.634 6.830 1.105 1.00 9.12 C ATOM 918 O ASP A 58 12.024 7.609 2.009 1.00 8.61 O ATOM 919 CB ASP A 58 11.084 7.838 -1.030 1.00 8.41 C ATOM 920 CG ASP A 58 11.447 8.210 -2.440 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.652 8.410 -2.644 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.538 8.361 -3.348 1.00 11.70 O ATOM 0 H ASP A 58 11.726 5.522 -1.803 1.00 9.11 H new ATOM 0 HA ASP A 58 13.178 7.362 -0.365 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.132 7.307 -1.034 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.939 8.747 -0.446 1.00 8.41 H new ATOM 927 N TYR A 59 10.815 5.779 1.351 1.00 7.97 N ATOM 928 CA TYR A 59 10.295 5.578 2.738 1.00 8.45 C ATOM 929 C TYR A 59 11.059 4.445 3.448 1.00 10.98 C ATOM 930 O TYR A 59 10.816 4.269 4.659 1.00 12.95 O ATOM 931 CB TYR A 59 8.816 5.172 2.651 1.00 7.94 C ATOM 932 CG TYR A 59 7.843 6.251 2.227 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.562 7.317 3.144 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.023 6.129 1.080 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.574 8.218 2.915 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.948 7.023 0.916 1.00 6.52 C ATOM 937 CZ TYR A 59 5.773 8.118 1.754 1.00 6.76 C ATOM 938 OH TYR A 59 4.716 8.961 1.645 1.00 7.63 O ATOM 0 H TYR A 59 10.511 5.093 0.660 1.00 7.97 H new ATOM 0 HA TYR A 59 10.422 6.504 3.298 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.731 4.341 1.950 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.507 4.798 3.627 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.154 7.405 4.043 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.218 5.364 0.344 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.398 9.015 3.622 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.240 6.854 0.118 1.00 6.52 H new ATOM 0 HH TYR A 59 5.028 9.840 1.343 1.00 7.63 H new ATOM 948 N ASN A 60 12.033 3.749 2.781 1.00 12.38 N ATOM 949 CA ASN A 60 12.845 2.663 3.314 1.00 13.94 C ATOM 950 C ASN A 60 11.992 1.399 3.576 1.00 14.16 C ATOM 951 O ASN A 60 12.079 0.801 4.658 1.00 14.26 O ATOM 952 CB ASN A 60 13.532 3.071 4.620 1.00 19.23 C ATOM 953 CG ASN A 60 14.470 4.182 4.331 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.330 5.298 4.853 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.583 3.938 3.604 1.00 24.09 N ATOM 0 H ASN A 60 12.266 3.960 1.810 1.00 12.38 H new ATOM 0 HA ASN A 60 13.601 2.440 2.562 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.791 3.383 5.356 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.069 2.224 5.047 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.289 4.666 3.493 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.717 3.026 3.167 1.00 24.09 H new ATOM 962 N ILE A 61 11.088 1.026 2.658 1.00 11.08 N ATOM 963 CA ILE A 61 10.307 -0.164 2.778 1.00 11.78 C ATOM 964 C ILE A 61 11.208 -1.187 2.143 1.00 13.74 C ATOM 965 O ILE A 61 11.701 -1.040 1.054 1.00 14.60 O ATOM 966 CB ILE A 61 8.943 -0.043 2.122 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.046 0.944 2.903 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.210 -1.394 1.949 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.066 1.719 2.065 1.00 11.42 C ATOM 0 H ILE A 61 10.894 1.563 1.812 1.00 11.08 H new ATOM 0 HA ILE A 61 10.037 -0.418 3.803 1.00 11.78 H new ATOM 0 HB ILE A 61 9.132 0.339 1.119 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.492 0.387 3.659 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.685 1.650 3.432 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.244 -1.225 1.474 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.810 -2.056 1.325 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.059 -1.854 2.926 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.485 2.383 2.705 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.607 2.310 1.326 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.395 1.027 1.556 1.00 11.42 H new ATOM 981 N GLN A 62 11.455 -2.272 2.916 1.00 13.97 N ATOM 982 CA GLN A 62 12.419 -3.302 2.666 1.00 15.52 C ATOM 983 C GLN A 62 11.794 -4.650 2.627 1.00 13.94 C ATOM 984 O GLN A 62 10.580 -4.874 2.902 1.00 12.15 O ATOM 985 CB GLN A 62 13.596 -3.250 3.740 1.00 19.53 C ATOM 986 CG GLN A 62 14.304 -1.857 3.859 1.00 26.38 C ATOM 987 CD GLN A 62 14.951 -1.545 5.232 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.179 -1.460 6.200 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.274 -1.299 5.323 1.00 32.71 N ATOM 0 H GLN A 62 10.938 -2.435 3.780 1.00 13.97 H new ATOM 0 HA GLN A 62 12.845 -3.116 1.680 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.194 -3.524 4.715 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.341 -4.002 3.480 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.076 -1.796 3.092 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.573 -1.079 3.638 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.866 -1.383 4.497 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.682 -1.029 6.218 1.00 32.71 H new ATOM 998 N LYS A 63 12.595 -5.716 2.262 1.00 11.73 N ATOM 999 CA LYS A 63 12.235 -7.134 2.108 1.00 11.97 C ATOM 1000 C LYS A 63 11.462 -7.768 3.260 1.00 10.41 C ATOM 1001 O LYS A 63 11.951 -7.877 4.351 1.00 9.59 O ATOM 1002 CB LYS A 63 13.571 -7.965 1.838 1.00 13.73 C ATOM 1003 CG LYS A 63 13.240 -9.389 1.472 1.00 16.98 C ATOM 1004 CD LYS A 63 14.452 -10.135 0.950 1.00 20.19 C ATOM 1005 CE LYS A 63 14.328 -11.679 0.774 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.983 -12.021 -0.593 1.00 25.97 N ATOM 0 H LYS A 63 13.583 -5.567 2.057 1.00 11.73 H new ATOM 0 HA LYS A 63 11.538 -7.168 1.271 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.140 -7.499 1.034 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.203 -7.949 2.726 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.844 -9.906 2.346 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.456 -9.396 0.715 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.720 -9.707 -0.016 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.284 -9.940 1.627 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.270 -12.156 1.045 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.568 -12.066 1.452 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.907 -13.054 -0.684 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.073 -11.583 -0.841 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.722 -11.671 -1.236 1.00 25.97 H new ATOM 1020 N GLU A 64 10.146 -8.057 2.997 1.00 10.04 N ATOM 1021 CA GLU A 64 9.233 -8.674 3.892 1.00 10.94 C ATOM 1022 C GLU A 64 8.739 -7.619 4.986 1.00 9.74 C ATOM 1023 O GLU A 64 8.123 -8.010 5.953 1.00 9.42 O ATOM 1024 CB GLU A 64 9.642 -10.067 4.397 1.00 18.31 C ATOM 1025 CG GLU A 64 10.012 -11.038 3.304 1.00 24.16 C ATOM 1026 CD GLU A 64 10.214 -12.431 3.840 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.819 -12.597 4.927 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.811 -13.412 3.153 1.00 31.72 O ATOM 0 H GLU A 64 9.718 -7.836 2.098 1.00 10.04 H new ATOM 0 HA GLU A 64 8.345 -8.953 3.326 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.489 -9.961 5.075 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.820 -10.486 4.977 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.228 -11.050 2.547 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.925 -10.702 2.812 1.00 24.16 H new ATOM 1035 N SER A 65 8.965 -6.327 4.844 1.00 6.85 N ATOM 1036 CA SER A 65 8.349 -5.259 5.684 1.00 6.90 C ATOM 1037 C SER A 65 6.839 -5.278 5.500 1.00 4.72 C ATOM 1038 O SER A 65 6.305 -5.598 4.394 1.00 3.91 O ATOM 1039 CB SER A 65 8.907 -3.853 5.374 1.00 7.28 C ATOM 1040 OG SER A 65 8.795 -3.046 6.576 1.00 10.56 O ATOM 0 H SER A 65 9.594 -5.958 4.131 1.00 6.85 H new ATOM 0 HA SER A 65 8.605 -5.473 6.722 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.947 -3.919 5.056 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.351 -3.395 4.556 1.00 7.28 H new ATOM 0 HG SER A 65 8.290 -2.230 6.377 1.00 10.56 H new ATOM 1046 N THR A 66 6.062 -4.951 6.571 1.00 4.48 N ATOM 1047 CA THR A 66 4.636 -5.134 6.610 1.00 3.80 C ATOM 1048 C THR A 66 4.028 -3.769 6.401 1.00 4.60 C ATOM 1049 O THR A 66 4.304 -2.875 7.200 1.00 5.33 O ATOM 1050 CB THR A 66 4.003 -5.703 7.909 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.517 -7.003 8.244 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.500 -5.949 7.783 1.00 3.40 C ATOM 0 H THR A 66 6.442 -4.550 7.428 1.00 4.48 H new ATOM 0 HA THR A 66 4.431 -5.888 5.850 1.00 3.80 H new ATOM 0 HB THR A 66 4.240 -4.944 8.654 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.092 -7.320 9.068 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.116 -6.346 8.723 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.996 -5.010 7.553 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.314 -6.666 6.983 1.00 3.40 H new ATOM 1060 N LEU A 67 3.062 -3.565 5.471 1.00 4.17 N ATOM 1061 CA LEU A 67 2.417 -2.337 5.325 1.00 3.85 C ATOM 1062 C LEU A 67 0.904 -2.422 5.633 1.00 3.80 C ATOM 1063 O LEU A 67 0.253 -3.401 5.257 1.00 5.54 O ATOM 1064 CB LEU A 67 2.456 -1.838 3.916 1.00 7.18 C ATOM 1065 CG LEU A 67 3.778 -1.980 3.226 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.564 -1.204 1.880 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.942 -1.302 3.939 1.00 11.66 C ATOM 0 H LEU A 67 2.742 -4.284 4.821 1.00 4.17 H new ATOM 0 HA LEU A 67 2.948 -1.684 6.018 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.703 -2.372 3.337 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.173 -0.785 3.912 1.00 7.18 H new ATOM 0 HG LEU A 67 4.039 -3.036 3.154 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.478 -1.243 1.288 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.750 -1.664 1.320 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.315 -0.165 2.095 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.858 -1.457 3.369 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.744 -0.234 4.025 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.058 -1.730 4.935 1.00 11.66 H new ATOM 1079 N HIS A 68 0.356 -1.396 6.277 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.024 -1.474 6.696 1.00 4.17 C ATOM 1081 C HIS A 68 -2.022 -0.966 5.651 1.00 5.32 C ATOM 1082 O HIS A 68 -1.594 -0.120 4.865 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.080 -0.644 8.015 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.226 -1.302 9.037 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.592 -2.429 9.723 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.010 -0.974 9.416 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.444 -2.695 10.593 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.438 -1.816 10.415 1.00 16.30 N ATOM 0 H HIS A 68 0.836 -0.527 6.511 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.327 -2.511 6.839 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.734 0.374 7.834 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.107 -0.573 8.372 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.590 -0.164 8.999 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.452 -3.498 11.315 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.326 -1.779 10.915 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.220 -1.549 5.607 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.241 -1.043 4.689 1.00 3.97 C ATOM 1098 C LEU A 69 -5.473 -0.905 5.439 1.00 5.07 C ATOM 1099 O LEU A 69 -5.871 -1.759 6.207 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.596 -2.146 3.631 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.635 -1.818 2.615 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.214 -0.581 1.844 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.737 -2.994 1.628 1.00 9.96 C ATOM 0 H LEU A 69 -3.502 -2.347 6.176 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.875 -0.122 4.234 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.681 -2.411 3.102 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.922 -3.036 4.170 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.591 -1.640 3.107 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.973 -0.340 1.100 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.102 0.256 2.533 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.264 -0.770 1.344 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.494 -2.773 0.875 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.774 -3.145 1.141 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.016 -3.899 2.168 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.084 0.286 5.265 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.456 0.485 5.821 1.00 6.26 C ATOM 1117 C VAL A 70 -8.357 0.788 4.628 1.00 9.22 C ATOM 1118 O VAL A 70 -7.853 1.431 3.697 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.662 1.414 6.937 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.962 0.944 8.169 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.305 2.838 6.470 1.00 8.54 C ATOM 0 H VAL A 70 -5.685 1.087 4.775 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.704 -0.440 6.342 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.710 1.444 7.235 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.134 1.654 8.978 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.348 -0.034 8.456 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.892 0.869 7.973 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.454 3.539 7.292 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.262 2.866 6.154 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.946 3.118 5.634 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.611 0.297 4.575 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.391 0.326 3.358 1.00 16.06 C ATOM 1133 C LEU A 71 -11.615 1.180 3.523 1.00 18.09 C ATOM 1134 O LEU A 71 -12.301 1.128 4.521 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.794 -1.068 2.737 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.591 -1.922 2.270 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.150 -3.383 1.954 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.830 -1.276 1.095 1.00 19.57 C ATOM 0 H LEU A 71 -10.091 -0.122 5.372 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.702 0.760 2.634 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.362 -1.633 3.476 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.457 -0.898 1.888 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.836 -1.988 3.054 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.332 -4.021 1.620 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.595 -3.805 2.855 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.906 -3.322 1.171 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.996 -1.915 0.806 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.505 -1.155 0.247 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.451 -0.300 1.399 1.00 19.57 H new